Bi-Functional Extension on Heterogeneous ORR/OER Catalysis with 2D Materials for Li-O2 Batteries
Corresponding Author: Feng Dang
Nano-Micro Letters,
Vol. 18 (2026), Article Number: 389
Abstract
In the integration of heterogeneous catalysis with two-dimensional (2D) materials, Li–O2 batteries serve as valuable research prototypes, particularly for investigating the efficient oxygen reduction/evolution reaction in multiphase environments. However, the advantages and limitations associated with the unique anisotropy and electronic properties of 2D materials in Li–O2 batteries (LOBs) remain unclear. This Review provides a comprehensive overview of 2D cathode catalysts for LOBs, including graphene, transition metal oxides/hydroxides, dichalcogenides, and metal carbides, together with their corresponding activation engineering strategies. More specifically, we thoroughly examine the pivotal role of anisotropic catalytic properties on the large surface areas and terminal edge active sites of 2D cathode catalysts. The correlations are analyzed between 2D material design and catalytic mechanisms in LOBs, particularly in adsorption strength of intermediates, electronic structure and discharge product. Additionally, the expanded applications of 2D materials in components such as lithium anode protection and rapid lithium-ion transport are also briefly discussed by leveraging their favorable physicochemical properties. Finally, the challenges and future directions for the development and application of 2D materials are summarized and discussed, which is expected to unlock the full potential of LOBs batteries as next-generation energy storage technologies.
Highlights:
1 This review systematically summarizes the catalytic performance of two-dimensional (2D) materials in Li–O2 batteries, together with activation strategies spanning point, line, plane, and bulk dimensions.
2 The catalytic mechanisms and key descriptors of 2D materials are analyzed, including the adsorption strength of intermediates, electronic structure, and product evolution.
3 The multifunctional roles of 2D materials in Li–O2 batteries are discussed, including separators, electrolyte additives, and lithium anode protection.
Keywords
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- D. Deng, K.S. Novoselov, Q. Fu, N. Zheng, Z. Tian et al., Catalysis with two-dimensional materials and their heterostructures. Nat. Nanotechnol. 11(3), 218–230 (2016). https://doi.org/10.1038/nnano.2015.340
- F.R. Fan, R. Wang, H. Zhang, W. Wu, Emerging beyond-graphene elemental 2D materials for energy and catalysis applications. Chem. Soc. Rev. 50(19), 10983–11031 (2021). https://doi.org/10.1039/c9cs00821g
- T. Bai, D. Li, S. Xiao, F. Ji, S. Zhang et al., Recent progress on single-atom catalysts for lithium–air battery applications. Energy Environ. Sci. 16(4), 1431–1465 (2023). https://doi.org/10.1039/d2ee02949a
- L. Li, L. Chen, S. Mukherjee, J. Gao, H. Sun et al., Phosphorene as a polysulfide immobilizer and catalyst in high-performance lithium–sulfur batteries. Adv. Mater. 29(2), 1602734 (2017). https://doi.org/10.1002/adma.201602734
- Q. Zhai, H. Huang, T. Lawson, Z. Xia, P. Giusto et al., Recent advances on carbon-based metal-free electrocatalysts for energy and chemical conversions. Adv. Mater. 36(42), 2470337 (2024). https://doi.org/10.1002/adma.202470337
- G. Wang, Y. Yang, Q. Zhang, Z. Xie, Z. Zhou, Graphitic carbon nitride (g-C3N4) based photo-assisted Li–O2 batteries: progress, challenge, and perspective. Coord. Chem. Rev. 511, 215879 (2024). https://doi.org/10.1016/j.ccr.2024.215879
- H. Jin, C. Guo, X. Liu, J. Liu, A. Vasileff et al., Emerging two-dimensional nanomaterials for electrocatalysis. Chem. Rev. 118(13), 6337–6408 (2018). https://doi.org/10.1021/acs.chemrev.7b00689
- P. Roy Chowdhury, H. Medhi, K.G. Bhattacharyya, C. Mustansar Hussain, Recent progress in the design and functionalization strategies of transition metal-based layered double hydroxides for enhanced oxygen evolution reaction: a critical review. Coord. Chem. Rev. 483, 215083 (2023). https://doi.org/10.1016/j.ccr.2023.215083
- Y. Zhao, J. Zhang, X. Guo, X. Cao, S. Wang et al., Engineering strategies and active site identification of MXene-based catalysts for electrochemical conversion reactions. Chem. Soc. Rev. 52(9), 3215–3264 (2023). https://doi.org/10.1039/D2CS00698G
- X. Zheng, M. Yuan, Y. Zhao, Z. Li, K. Shi et al., Status and prospects of MXene-based lithium–oxygen batteries: theoretical prediction and experimental modulation. Adv. Energy Mater. 13(20), 2204019 (2023). https://doi.org/10.1002/aenm.202204019
- X. Chia, M. Pumera, Characteristics and performance of two-dimensional materials for electrocatalysis. Nat. Catal. 1(12), 909–921 (2018). https://doi.org/10.1038/s41929-018-0181-7
- B. Ni, X. Wang, Face the edges: catalytic active sites of nanomaterials. Adv. Sci. 2(7), 1500085 (2015). https://doi.org/10.1002/advs.201500085
- H. Tao, Q. Fan, T. Ma, S. Liu, H. Gysling et al., Two-dimensional materials for energy conversion and storage. Prog. Mater. Sci. 111, 100637 (2020). https://doi.org/10.1016/j.pmatsci.2020.100637
- T. Liu, S. Zhao, Q. Xiong, J. Yu, J. Wang et al., Reversible discharge products in Li–air batteries. Adv. Mater. 35(20), 2208925 (2023). https://doi.org/10.1002/adma.202208925
- K. Chen, D.-Y. Yang, G. Huang, X.-B. Zhang, Lithium-air batteries: air-electrochemistry and anode stabilization. Acc. Chem. Res. 54(3), 632–641 (2021). https://doi.org/10.1021/acs.accounts.0c00772
- T. Ogasawara, A. Débart, M. Holzapfel, P. Novák, P.G. Bruce, Rechargeable Li2O2 electrode for lithium batteries. J. Am. Chem. Soc. 128(4), 1390–1393 (2006). https://doi.org/10.1021/ja056811q
- Z. Lyu, Y. Zhou, W. Dai, X. Cui, M. Lai et al., Recent advances in understanding of the mechanism and control of Li2O2 formation in aprotic Li–O2 batteries. Chem. Soc. Rev. 46(19), 6046–6072 (2017). https://doi.org/10.1039/C7CS00255F
- Q. Fu, X. Bao, Surface chemistry and catalysis confined under two-dimensional materials. Chem. Soc. Rev. 46(7), 1842–1874 (2017). https://doi.org/10.1039/c6cs00424e
- Q. Zhang, C. Wang, Z. Xie, Z. Zhou, Defective/doped graphene-based materials as cathodes for metal–air batteries. Energy Environ. Mater. 5(4), 1103–1116 (2022). https://doi.org/10.1002/eem2.12293
- Q. Xia, Y. Zhai, L. Zhao, J. Wang, D. Li et al., Carbon-supported single-atom catalysts for advanced rechargeable metal-air batteries. Energy Mater. 2(3), 200015 (2022). https://doi.org/10.20517/energymater.2022.13
- Y. Zhang, J. Liu, Y. Xu, C. Xie, S. Wang et al., Design and regulation of defective electrocatalysts. Chem. Soc. Rev. 53(21), 10620–10659 (2024). https://doi.org/10.1039/d4cs00217b
- Y. Wang, J. Mao, X. Meng, L. Yu, D. Deng et al., Catalysis with two-dimensional materials confining single atoms: concept, design, and applications. Chem. Rev. 119(3), 1806–1854 (2019). https://doi.org/10.1021/acs.chemrev.8b00501
- M. Liu, X. Zhu, Y. Song, G. Huang, J. Wei et al., Bifunctional edge-rich nitrogen doped porous carbon for activating oxygen and sulfur. Adv. Funct. Mater. 33(11), 2213395 (2023). https://doi.org/10.1002/adfm.202213395
- S. Maiti, M.T. Curnan, S. Subhalaxmi, K.-W. Kim, R. Narayan et al., Adapting single-atom catalysts to Li–O2 batteries: enhancing energy storage. Small 21(35), 2505334 (2025). https://doi.org/10.1002/smll.202505334
- Y. Guo, P. Wang, Y. Liu, S. Guo, L. Shi et al., Dual-type atomic Ru promoted bifunctional catalytic process realizing ultralow overpotential for Li-O2 batteries. Appl. Catal. B Environ. Energy 356, 124203 (2024). https://doi.org/10.1016/j.apcatb.2024.124203
- W. Ma, J. Yao, F. Xie, X. Wang, H. Wan et al., Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion. Green Energy Environ. 10(1), 109–131 (2025). https://doi.org/10.1016/j.gee.2024.02.006
- Y. Zhou, G. Hong, W. Zhang, Nanoengineering of cathode catalysts for Li–O2 batteries. ACS Nano 18(26), 16489–16504 (2024). https://doi.org/10.1021/acsnano.4c04420
- G. Zhang, H. Yu, X. Li, X. Zhang, C. Hou et al., Construction of MnS/MoS2 heterostructure on two-dimensional MoS2 surface to regulate the reaction pathways for high-performance Li-O2 batteries. J. Energy Chem. 93, 443–452 (2024). https://doi.org/10.1016/j.jechem.2024.01.076
- X. Wen, D. Du, L. Ren, H. Xu, R. Li et al., Creating low coordination atoms on MoS2/NiS2 heterostructure toward modulating the adsorption of oxygenated intermediates in lithium-oxygen batteries. Chem. Eng. J. 442, 136311 (2022). https://doi.org/10.1016/j.cej.2022.136311
- G. Li, N. Li, S. Peng, B. He, J. Wang et al., Highly efficient Nb2C MXene cathode catalyst with uniform O-terminated surface for lithium–oxygen batteries. Adv. Energy Mater. 11(1), 2002721 (2021). https://doi.org/10.1002/aenm.202002721
- M. Wang, J. Chen, Z. Tian, W. Dai, B. Cui et al., Facet-controlled bifunctional WO3 photocathodes for high-performance photo-assisted Li–O2 batteries. Energy Environ. Sci. 16(2), 523–534 (2023). https://doi.org/10.1039/d2ee03724f
- Y. Zheng, R. Gao, L. Zheng, L. Sun, Z. Hu et al., Ultrathin Co3O4 nanosheets with edge-enriched{111}planes as efficient catalysts for lithium–oxygen batteries. ACS Catal. 9(5), 3773–3782 (2019). https://doi.org/10.1021/acscatal.8b05182
- Z.-Z. Shen, S.-Y. Lang, C. Zhou, R. Wen, L.-J. Wan, In situ realization of water-mediated interfacial processes at nanoscale in aprotic Li–O2 batteries. Adv. Energy Mater. 10(46), 2002339 (2020). https://doi.org/10.1002/aenm.202002339
- A. Kumar, A. Dager, M. Kumar, S. Shamra, A. Baliyan et al., Synthesis and growth mechanism of vertically aligned graphene sheets with precise control over the number of layers for lithium–oxygen batteries. J. Mater. Chem. A. 12(23), 13933–13945 (2024). https://doi.org/10.1039/D3TA06356A
- Y. Sun, X.-L. Shi, Y.-L. Yang, G. Suo, L. Zhang et al., Biomass-derived carbon for high-performance batteries: from structure to properties. Adv. Funct. Mater. 32(24), 2201584 (2022). https://doi.org/10.1002/adfm.202201584
- S. Nam, M. Mahato, K. Matthews, R.W. Lord, Y. Lee et al., Bimetal organic framework–Ti3C2Tx MXene with metalloporphyrin electrocatalyst for lithium–oxygen batteries. Adv. Funct. Mater. 33(1), 2210702 (2023). https://doi.org/10.1002/adfm.202210702
- A. Hu, C. Shu, C. Xu, J. Li, R. Liang et al., Interface-engineered metallic 1T-MoS2 nanosheet array induced via palladium doping enabling catalysis enhancement for lithium–oxygen battery. Chem. Eng. J. 382, 122854 (2020). https://doi.org/10.1016/j.cej.2019.122854
- S.-L. Tian, L. Lin, L.-M. Chang, C.-M. Zhao, W.-Q. Liu et al., Research progress of cathode catalyst for field-assisted Li-O2/CO2 battery. J. Energy Storage 86, 111252 (2024). https://doi.org/10.1016/j.est.2024.111252
- S.-L. Tian, L.-N. Song, L.-M. Chang, W.-Q. Liu, H.-F. Wang et al., A force-assisted Li−O2 battery based on piezoelectric catalysis and band bending of MoS2/Pd cathode. Adv. Energy Mater. 14(9), 2303215 (2024). https://doi.org/10.1002/aenm.202303215
- Z. Liang, W. Wang, Y.-C. Lu, The path toward practical Li-air batteries. Joule 6(11), 2458–2473 (2022). https://doi.org/10.1016/j.joule.2022.10.008
- C. Allard, Li–air batteries hitting the road. Nat. Rev. Mater. 8(3), 145 (2023). https://doi.org/10.1038/s41578-023-00546-0
- X. Zhang, Z. Xie, Z. Zhou, Recent progress in protecting lithium anodes for Li-O2 batteries. ChemElectroChem 6(7), 1969–1977 (2019). https://doi.org/10.1002/celc.201900081
- Z. Cao, Y. Zhang, Y. Cui, J. Gu, Z. Du et al., Harnessing the unique features of 2D materials toward dendrite-free metal anodes. Energy Environ. Mater. 5(1), 45–67 (2022). https://doi.org/10.1002/eem2.12165
- F. Wang, X. Ke, K. Shen, L. Zhu, C. Yuan, A critical review on materials and fabrications of thermally stable separators for lithium-ion batteries. Adv. Mater. Technol. 7(5), 2100772 (2022). https://doi.org/10.1002/admt.202100772
- Y. An, Y. Tian, J. Feng, Y. Qian, MXenes for advanced separator in rechargeable batteries. Mater. Today 57, 146–179 (2022). https://doi.org/10.1016/j.mattod.2022.06.006
- J. Xie, L. Liao, Y. Gong, Y. Li, F. Shi et al., Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode. Sci. Adv. 3(11), eaao3170 (2017). https://doi.org/10.1126/sciadv.aao3170
- C. Wang, W. Li, Y. Jin, J. Liu, H. Wang et al., Functional separator enabled by covalent organic frameworks for high-performance Li metal batteries. Small 19(28), 2300023 (2023). https://doi.org/10.1002/smll.202300023
- X. Han, J. Chen, M. Chen, W. Zhou, X. Zhou et al., Induction of planar Li growth with designed interphases for dendrite-free Li metal anodes. Energy Storage Mater. 39, 250–258 (2021). https://doi.org/10.1016/j.ensm.2021.04.029
- J. Seo, J. Im, M. Kim, D. Song, S. Yoon et al., Recent progress of advanced functional separators in lithium metal batteries. Small 20(33), e2312132 (2024). https://doi.org/10.1002/smll.202312132
- J. Lu, Y.J. Lee, X. Luo, K.C. Lau, M. Asadi et al., A lithium–oxygen battery based on lithium superoxide. Nature 529(7586), 377–382 (2016). https://doi.org/10.1038/nature16484
- F. Li, J. Chen, Mechanistic evolution of aprotic lithium-oxygen batteries. Adv. Energy Mater. 7(24), 1602934 (2017). https://doi.org/10.1002/aenm.201602934
- C. Xia, C.Y. Kwok, L.F. Nazar, A high-energy-density lithium-oxygen battery based on a reversible four-electron conversion to lithium oxide. Science 361(6404), 777–781 (2018). https://doi.org/10.1126/science.aas9343
- G. Wang, X. Hu, J. Wang, Y. Wang, Y. Dou et al., Toward practical photo-assisted Li-O2 batteries: a four-electron pathway enabled by Ru-doped β- MnO2. Adv. Mater. 37(34), e2507891 (2025). https://doi.org/10.1002/adma.202507891
- L. Johnson, C. Li, Z. Liu, Y. Chen, S.A. Freunberger et al., The role of LiO2 solubility in O2 reduction in aprotic solvents and its consequences for Li–O2 batteries. Nat. Chem. 6(12), 1091–1099 (2014). https://doi.org/10.1038/nchem.2101
- D. Aurbach, B.D. McCloskey, L.F. Nazar, P.G. Bruce, Advances in understanding mechanisms underpinning lithium–air batteries. Nat. Energy 1(9), 16128 (2016). https://doi.org/10.1038/nenergy.2016.128
- N.B. Aetukuri, B.D. McCloskey, J.M. García, L.E. Krupp, V. Viswanathan et al., Solvating additives drive solution-mediated electrochemistry and enhance toroid growth in non-aqueous Li-O₂ batteries. Nat. Chem. 7(1), 50–56 (2015). https://doi.org/10.1038/nchem.2132
- K. Huang, H. Wan, Z. Gong, J. Liu, M. Yan et al., Cobalt single atom-catalyzed formation of LiOH in Li-O2 Batteries via the direct 4-electron oxygen reduction pathway. CCS Chem. 6(10), 2502–2514 (2024). https://doi.org/10.31635/ccschem.024.202303747
- G. Yue, Z. Hong, Y. Xia, T. Yang, Y. Wu, Bifunctional electrocatalysts materials for non-aqueous Li–air batteries. Coatings 12(8), 1227 (2022). https://doi.org/10.3390/coatings12081227
- W.-J. Kwak, Rosy, D. Sharon, C. Xia, H. Kim et al., Lithium-oxygen batteries and related systems: potential, status, and future. Chem. Rev. 120(14), 6626–6683 (2020). https://doi.org/10.1021/acs.chemrev.9b00609
- Q. Qiu, J. Long, P. Yao, J. Wang, X. Li et al., Cathode electrocatalyst in aprotic lithium oxygen (Li-O2) battery: a literature survey. Catal. Today 420, 114138 (2023). https://doi.org/10.1016/j.cattod.2023.114138
- Y. Zhou, S. Guo, Recent advances in cathode catalyst architecture for lithium–oxygen batteries. eScience 3(4), 100123 (2023). https://doi.org/10.1016/j.esci.2023.100123
- D. Li, L. Zhao, Q. Xia, J. Wang, X. Liu et al., Activating MoS2 nanoflakes via sulfur defect engineering wrapped on CNTs for stable and efficient Li-O2 batteries. Adv. Funct. Mater. 32(8), 2108153 (2022). https://doi.org/10.1002/adfm.202108153
- J. Tian, Y. Rao, W. Shi, J. Yang, W. Ning et al., Sabatier relations in electrocatalysts based on high-entropy alloys with wide-distributed d-band centers for Li-O2 batteries. Angew. Chem. Int. Ed. 62(44), e202310894 (2023). https://doi.org/10.1002/anie.202310894
- Y. Zhou, Q. Gu, K. Yin, L. Tao, Y. Li et al., Cascaded orbital-oriented hybridization of intermetallic Pd3Pb boosts electrocatalysis of LiO2 battery. Proc. Natl. Acad. Sci. U. S. A. 120(25), e2301439120 (2023). https://doi.org/10.1073/pnas.2301439120
- W. Zhou, C. Feng, X. Li, X. Jiang, L. Jing et al., Boosting electrochemical urea synthesis via constructing ordered Pd-Zn active pair. Nano-Micro Lett. 16(1), 247 (2024). https://doi.org/10.1007/s40820-024-01462-w
- A. Mao, J. Li, J.-H. Li, H. Liu, C. Lian, Reducing overpotential of lithium-oxygen batteries by diatomic metal catalyst orbital matching strategy. J. Phys. Chem. Lett. 15(20), 5501–5509 (2024). https://doi.org/10.1021/acs.jpclett.4c01160
- Y. Xia, L. Wang, G. Gao, T. Mao, Z. Wang et al., Constructed Mott-Schottky heterostructure catalyst to trigger interface disturbance and manipulate redox kinetics in Li-O2 battery. Nano-Micro Lett. 16(1), 258 (2024). https://doi.org/10.1007/s40820-024-01476-4
- Q. Yang, Y. Wu, H. Feng, H. Liu, X. Lou et al., Revisiting Li-CO2/O2 battery chemistry through the spatial distributions of discharge products and their oxidation behaviors. Energy Storage Mater. 71, 103626 (2024). https://doi.org/10.1016/j.ensm.2024.103626
- P.-F. Zhang, H.-Y. Zhuo, Y.-Y. Dong, Y. Zhou, Y.-W. Li et al., Pt nanops confined in a 3D porous FeNC matrix as efficient catalysts for rechargeable Li-O2/O2 batteries. ACS Appl. Mater. Interfaces 15(2), 2940–2950 (2023). https://doi.org/10.1021/acsami.2c18857
- P.-F. Zhang, J.-Y. Zhang, T. Sheng, Y.-Q. Lu, Z.-W. Yin et al., Synergetic effect of Ru and NiO in the electrocatalytic decomposition of Li2CO3 to enhance the performance of a Li-CO2/O2 battery. ACS Catal. 10(2), 1640–1651 (2020). https://doi.org/10.1021/acscatal.9b04138
- J. Lai, Y. Xing, N. Chen, L. Li, F. Wu et al., Electrolytes for rechargeable lithium–air batteries. Angew. Chem. Int. Ed. 59(8), 2974–2997 (2020). https://doi.org/10.1002/anie.201903459
- H.C. Lee, J.O. Park, M. Kim, H.J. Kwon, J.-H. Kim et al., High-energy-density Li-O2 battery at cell scale with folded cell structure. Joule 3(2), 542–556 (2019). https://doi.org/10.1016/j.joule.2018.11.016
- R. Rojaee, R. Shahbazian-Yassar, Two-dimensional materials to address the lithium battery challenges. ACS Nano 14(3), 2628–2658 (2020). https://doi.org/10.1021/acsnano.9b08396
- X. Wu, X. Wang, Z. Li, L. Chen, S. Zhou et al., Stabilizing Li-O2 batteries with multifunctional fluorinated graphene. Nano Lett. 22(12), 4985–4992 (2022). https://doi.org/10.1021/acs.nanolett.2c01713
- Y. Dou, Z. Xie, Y. Wei, Z. Peng, Z. Zhou, Redox mediators for high-performance lithium–oxygen batteries. Natl. Sci. Rev. 9(4), nwac040 (2022). https://doi.org/10.1093/nsr/nwac040
- W. Liu, N. Wang, R. Zhong, F. Liu, Y. Wu et al., Enhancing reaction kinetics in aprotic magnesium-air batteries using a freestanding flexible metal-free carbon fiber cathode. Chem. Eng. J. 497, 154393 (2024). https://doi.org/10.1016/j.cej.2024.154393
- L. Zhang, S.-H. Luo, P. Li, M. Sun, S. Yan, MOF-derived CoP nanops anchored on P, N Co-doped carbon nanoframework as robust electrocatalyst for rechargeable Li-O2 batteries. J. Energy Storage 74, 109342 (2023). https://doi.org/10.1016/j.est.2023.109342
- Y. Li, Y. Li, Y. Ding, J. Ma, P. Das et al., Spatially confined sub-nanometer Pt in RuO2 nanosheet as robust bifunctional oxygen electrocatalyst for stabilizing Li-O2 batteries. Chem Catal. 3(9), 100658 (2023). https://doi.org/10.1016/j.checat.2023.100658
- Y. Wu, X. Zhu, X. Ji, W. Liu, W. Wan et al., Graphene quantum dots as a highly efficient electrocatalyst for lithium–oxygen batteries. J. Mater. Chem. A 8(42), 22356–22368 (2020). https://doi.org/10.1039/D0TA07587F
- Y. Wang, X. Zhu, Y. Wu, Z. Man, X. Wen et al., Boosting the kinetics with graphene quantum dots (GQDs)-decorated NiCo2O4 nanosheets towards high-performance Li-O2 batteries. Electrochim. Acta 441, 141752 (2023). https://doi.org/10.1016/j.electacta.2022.141752
- J. Zhu, M. Metzger, M. Antonietti, T.-P. Fellinger, Vertically aligned two-dimensional graphene-metal hydroxide hybrid arrays for Li-O2 batteries. ACS Appl. Mater. Interfaces 8(39), 26041–26050 (2016). https://doi.org/10.1021/acsami.6b08222
- J. Shui, F. Du, C. Xue, Q. Li, L. Dai, Vertically aligned N-doped coral-like carbon fiber arrays as efficient air electrodes for high-performance nonaqueous Li-O2 batteries. ACS Nano 8(3), 3015–3022 (2014). https://doi.org/10.1021/nn500327p
- W. Zheng, X. Zhao, W. Fu, Review of vertical graphene and its applications. ACS Appl. Mater. Interfaces 13(8), 9561–9579 (2021). https://doi.org/10.1021/acsami.0c19188
- D. Su, D.H. Seo, Y. Ju, Z. Han, K. Ostrikov et al., Ruthenium nanocrystal decorated vertical graphene nanosheets@Ni foam as highly efficient cathode catalysts for lithium-oxygen batteries. NPG Asia Mater. 8(7), e286 (2016). https://doi.org/10.1038/am.2016.91
- S. Jiang, Z. Zhang, N. Yang, L. Li, Z. Wei, Probing the interaction between nitrogen dopants and edge structures of doped graphene catalysts for the highly efficient oxygen reduction reaction. J. Phys. Chem. C 126(45), 19113–19121 (2022). https://doi.org/10.1021/acs.jpcc.2c04293
- S. Pavlov, R.R. Nazmutdinov, M.V. Fedorov, S.A. Kislenko, Role of graphene edges in the electron transfer kinetics: insight from theory and molecular modeling. J. Phys. Chem. C 123(11), 6627–6634 (2019). https://doi.org/10.1021/acs.jpcc.8b12531
- T. Zheng, Y. Ren, X. Han, J. Zhang, Design principles of nitrogen-doped graphene nanoribbons as highly effective bifunctional catalysts for Li–O2 batteries. Phys. Chem. Chem. Phys. 24(37), 22589–22598 (2022). https://doi.org/10.1039/D2CP03001B
- J. Liu, X. Feng, Synthetic tailoring of graphene nanostructures with zigzag-edged topologies: progress and perspectives. Angew. Chem. Int. Ed. 59(52), 23386–23401 (2020). https://doi.org/10.1002/anie.202008838
- K. He, A.W. Robertson, Y. Fan, C.S. Allen, Y.-C. Lin et al., Temperature dependence of the reconstruction of zigzag edges in graphene. ACS Nano 9(5), 4786–4795 (2015). https://doi.org/10.1021/acsnano.5b01130
- Y. Yao, J. Cao, W. Yin, Q. Zhang, L. Yang et al., Modified graphene sheets as promising cathode catalysts for Li–O2 batteries: a first-principles study. J. Phys. Chem. C 125(8), 4363–4370 (2021). https://doi.org/10.1021/acs.jpcc.0c09616
- J. Kang, J.-S. Yu, B. Han, First-principles design of graphene-based active catalysts for oxygen reduction and evolution reactions in the aprotic Li-O2 battery. J. Phys. Chem. Lett. 7(14), 2803–2808 (2016). https://doi.org/10.1021/acs.jpclett.6b01071
- H.R. Jiang, P. Tan, M. Liu, Y.K. Zeng, T.S. Zhao, Unraveling the positive roles of point defects on carbon surfaces in nonaqueous lithium–oxygen batteries. J. Phys. Chem. C 120(33), 18394–18402 (2016). https://doi.org/10.1021/acs.jpcc.6b04241
- X. Zhu, Y. Wu, Z. Wang, Y. Wang, Z. Man et al., Hierarchical architecture: a novel, facile and cost-efficient strategy to boost electrochemical performance of Li-O2 battery cathodes. Chem. Eng. J. 450, 138462 (2022). https://doi.org/10.1016/j.cej.2022.138462
- K. Nomura, H. Nishihara, N. Kobayashi, T. Asada, T. Kyotani, 4.4 V supercapacitors based on super-stable mesoporous carbon sheet made of edge-free graphene walls. Energy Environ. Sci. 12(5), 1542–1549 (2019). https://doi.org/10.1039/C8EE03184C
- W. Yu, T. Yoshii, A. Aziz, R. Tang, Z.-Z. Pan et al., Edge-site-free and topological-defect-rich carbon cathode for high-performance lithium-oxygen batteries. Adv. Sci. 10(16), 2300268 (2023). https://doi.org/10.1002/advs.202300268
- Z. Shen, W. Yu, A. Aziz, K. Chida, T. Yoshii et al., Sequential catalysis of defected-carbon and solid catalyst in Li–O2 batteries. J. Phys. Chem. C 127(13), 6239–6247 (2023). https://doi.org/10.1021/acs.jpcc.3c01042
- W. Yu, Z. Shen, T. Yoshii, S. Iwamura, M. Ono et al., Hierarchically porous and minimally stacked graphene cathodes for high-performance lithium–oxygen batteries. Adv. Energy Mater. 14(2), 2470006 (2024). https://doi.org/10.1002/aenm.202470006
- X. Cui, Y. Luo, Y. Zhou, W. Dong, W. Chen, Application of functionalized graphene in Li–O2 batteries. Nanotechnology 32(13), 132003 (2021). https://doi.org/10.1088/1361-6528/abd1a7
- B. Hou, X. Lei, S. Zhong, B. Sun, C. Ouyang, Dissociation of (Li2O2) 0,+ on graphene and boron-doped graphene: insights from first-principles calculations. Phys. Chem. Chem. Phys. 22(25), 14216–14224 (2020). https://doi.org/10.1039/D0CP02597F
- F. Xiao, Z. Lin, J. Zhang, Y. Lei, Y. Meng et al., A novel approach to facile synthesis of boron and nitrogen Co-doped graphene and its application in lithium oxygen batteries. Energy Storage Mater. 41, 61–68 (2021). https://doi.org/10.1016/j.ensm.2021.05.042
- A. Wu, G. Wei, F. Yang, G. Xia, X. Yan et al., Nitrogen and iodine dual-doped 3D porous graphene as a bi-functional cathode catalyst for Li-O2 batteries. Electrochim. Acta 318, 354–361 (2019). https://doi.org/10.1016/j.electacta.2019.05.099
- J. Han, X. Guo, Y. Ito, P. Liu, D. Hojo et al., Effect of chemical doping on cathodic performance of bicontinuous nanoporous graphene for Li-O2 batteries. Adv. Energy Mater. 6(3), 1501870 (2016). https://doi.org/10.1002/aenm.201501870
- D. Wu, S. Wu, G. Zhang, C. Hui, D. Cao et al., Boosting Li–O2 battery performance via coupling of P–N site-rich N, P Co-doped graphene-like carbon nanosheets with nano-CePO4. Small 19(19), 2206455 (2023). https://doi.org/10.1002/smll.202206455
- C. Ma, Q. Liao, H. Sun, S. Lei, Y. Zheng et al., Tuning the doping types in graphene sheets by N monoelement. Nano Lett. 18(1), 386–394 (2018). https://doi.org/10.1021/acs.nanolett.7b04249
- Y. Jing, Z. Zhou, Computational insights into oxygen reduction reaction and initial Li2O2 nucleation on pristine and N-doped graphene in Li–O2 batteries. ACS Catal. 5(7), 4309–4317 (2015). https://doi.org/10.1021/acscatal.5b00332
- K.-H. Yun, Y. Hwang, Y.-C. Chung, Effective catalytic media using graphitic nitrogen-doped site in graphene for a non-aqueous Li–O2 battery: a density functional theory study. J. Power. Sources 277, 222–227 (2015). https://doi.org/10.1016/j.jpowsour.2014.12.021
- M. Wang, D. Li, Y. Yao, T. Zhao, F. Wu, Effect of nitrogen dopant forms of biochar cathode on the discharge mechanism of Li-O2 battery. J. Electrochem. Soc. 168(9), 090517 (2021). https://doi.org/10.1149/1945-7111/ac03f4
- S. Li, M. Wang, Y. Yao, T. Zhao, L. Yang et al., Effect of the activation process on the microstructure and electrochemical properties of N-doped carbon cathodes in Li-O2 batteries. ACS Appl. Mater. Interfaces 11(38), 34997–35004 (2019). https://doi.org/10.1021/acsami.9b12691
- X. Ning, Y. Li, J. Ming, Q. Wang, H. Wang et al., Electronic synergism of pyridinic- and graphitic-nitrogen on N-doped carbons for the oxygen reduction reaction. Chem. Sci. 10(6), 1589–1596 (2019). https://doi.org/10.1039/C8SC04596H
- Z. Zhang, F. Zhang, Z. Song, L. Zhang, Oxygen reduction reaction on pyridinic nitrogen-functionalized carbon: active site quantification and effects of Lewis basicity. ACS Catal. 15(1), 296–309 (2025). https://doi.org/10.1021/acscatal.4c05289
- M. Fan, Z.-Q. Feng, C. Zhu, X. Chen, C. Chen et al., Recent progress in 2D or 3D N-doped graphene synthesis and the characterizations, properties, and modulations of N species. J. Mater. Sci. 51(23), 10323–10349 (2016). https://doi.org/10.1007/s10853-016-0250-8
- Z. Zhu, Y. Ni, Q. Lv, J. Geng, W. Xie et al., Surface plasmon mediates the visible light-responsive lithium-oxygen battery with Au nanops on defective carbon nitride. Proc. Natl. Acad. Sci. U. S. A. 118(17), e2024619118 (2021). https://doi.org/10.1073/pnas.2024619118
- P.P. Bazianos, Z. Jiang, A.M. Rappe, Catalytic promotion of transition-metal-doped graphene cathodes in Li-CO2 batteries. J. Phys. Chem. C 129(12), 5798–5807 (2025). https://doi.org/10.1021/acs.jpcc.4c06763
- J. Zheng, W. Zhang, R. Wang, J. Wang, Y. Zhai et al., Single-atom Pd-N4 catalysis for stable low-overpotential lithium-oxygen battery. Small 19(10), e2204559 (2023). https://doi.org/10.1002/smll.202204559
- X. Hu, G. Luo, Q. Zhao, D. Wu, T. Yang et al., Ru single atoms on N-doped carbon by spatial confinement and ionic substitution strategies for high-performance Li–O2 batteries. J. Am. Chem. Soc. 142(39), 16776–16786 (2020). https://doi.org/10.1021/jacs.0c07317
- T. Bai, J. Wang, H. Zhang, F. Ji, W. Song et al., Atomic Ni-catalyzed cathode and stabilized Li metal anode for high-performance Li–O2 batteries. eScience 5(1), 100310 (2025). https://doi.org/10.1016/j.esci.2024.100310
- Z. Mohamed, Q. Zhou, K. Zhu, G. Zhang, W. Xu et al., Single-atom catalyst induced amorphous Li2O2 layer enduring lithium–oxygen batteries with high capacity. Adv. Funct. Mater. 35(1), 2410091 (2025). https://doi.org/10.1002/adfm.202410091
- L.-J. Zheng, Y. Yan, X.-X. Wang, L.-N. Song, H.-F. Wang et al., Regulating electrochemistry kinetics and discharge product selectivity with near-free cobalt single-atom catalyst in Li–O2 batteries. Energy Storage Mater. 56, 331–341 (2023). https://doi.org/10.1016/j.ensm.2023.01.024
- W. Zhang, J. Zheng, R. Wang, L. Huang, J. Wang et al., Water-trapping single-atom co-N4/graphene triggering direct 4e− LiOH chemistry for rechargeable aprotic Li–O2 batteries. Small 19(33), 2301391 (2023). https://doi.org/10.1002/smll.202301391
- Y. Lim, H. Chang, H. Kim, Y.J. Yoo, Y. Rho et al., Sequential element control of non-precious dual atom catalysts on mesoporous carbon nanotubes for high performance lithium–oxygen batteries. J. Mater. Chem. A. 12(42), 28953–28964 (2024). https://doi.org/10.1039/D4TA05490C
- Y. Fu, N. Wang, M. Huang, Z. Li, Y. Lu et al., Precisely engineering of Ångström-scale dual single atom drive [Co-O] spin-orbit coupling to boost lithium–oxygen batteries electrocatalysis. Adv. Funct. Mater. 35(13), 2418098 (2025). https://doi.org/10.1002/adfm.202418098
- D. Li, Q. Zhang, Z. Shen, K. Siddharth, L. Chen et al., 3D hexapod-shaped Co-ZIFs-S derived co nanops embedded into nitrogen and sulfur Co-doped carbon decorated with ruthenium nanops as efficient catalyst for rechargeable lithium oxygen battery. Nano Energy 91, 106644 (2022). https://doi.org/10.1016/j.nanoen.2021.106644
- R. Palani, Y.-S. Wu, S.-H. Wu, J.-K. Chang, R. Jose et al., Cobalt nanoclusters deposit on nitrogen-doped graphene sheets as bifunctional electrocatalysts for high performance lithium - oxygen batteries. J. Colloid Interface Sci. 680(Pt A), 845–858 (2025). https://doi.org/10.1016/j.jcis.2024.11.066
- Z. Lian, Y. Lu, S. Zhao, Z. Li, Q. Liu, Engineering the electronic interaction between atomically dispersed Fe and RuO2 attaining high catalytic activity and durability catalyst for Li-O2 battery. Adv. Sci. 10(9), 2205975 (2023). https://doi.org/10.1002/advs.202205975
- Y. Li, J. Qin, Y. Ding, J. Ma, P. Das et al., Two-dimensional Mn3O4 nanosheets with dominant (101) crystal planes on graphene as efficient oxygen catalysts for ultrahigh capacity and long-life Li–O2 batteries. ACS Catal. 12(20), 12765–12773 (2022). https://doi.org/10.1021/acscatal.2c02544
- X. Chen, Q. Fan, L. Liu, J. Deng, J. Xu, Hybridization of sulfur-defective MoS2 and holey expanded graphite for a long cycling lithium oxygen battery cathode. ACS Appl. Mater. Interfaces 16(40), 53697–53704 (2024). https://doi.org/10.1021/acsami.4c09488
- Y. Long, Q. Li, Z. Zhang, Q. Zeng, D. Liu et al., Coupling MoSe2 with non-stoichiometry Ni0.85Se in carbon hollow nanoflowers for efficient electrocatalytic synergistic effect on Li-O2 batteries. Small 20(10), 2304882 (2024). https://doi.org/10.1002/smll.202304882
- Y. Xia, S. Lin, J. Yan, R. Xu, J. Han et al., Synergistic Ni/Mn co-doping in Co3O4: a first-principles-based strategy to optimize metal-oxygen bonds for high-performance Li-O2 batteries. J. Colloid Interface Sci. 704, 139355 (2026). https://doi.org/10.1016/j.jcis.2025.139355
- X. Xiao, H. Song, S. Lin, Y. Zhou, X. Zhan et al., Scalable salt-templated synthesis of two-dimensional transition metal oxides. Nat. Commun. 7, 11296 (2016). https://doi.org/10.1038/ncomms11296
- X. Guo, J. Zhang, Y. Zhao, B. Sun, H. Liu et al., Ultrathin porous NiCo2O4 nanosheets for lithium–oxygen batteries: an excellent performance deriving from an enhanced solution mechanism. ACS Appl. Energy Mater. 2(6), 4215–4223 (2019). https://doi.org/10.1021/acsaem.9b00450
- Y. Xia, T. Mao, X. Jin, L. Wang, J. Yan et al., Constructed the microflower-like NiFe2O4/CeO2 composites with high concentration of oxygen vacancies to accelerate the three-phase reaction in lithium-oxygen batteries. J. Colloid Interface Sci. 680, 418–426 (2025). https://doi.org/10.1016/j.jcis.2024.11.128
- Y. Xia, S. Fan, X. Jin, L. Wang, S. Lin et al., Amorphous interface-controlled discharge product formation: a pathway to high-performance lithium-oxygen batteries. Nano Energy 141, 111086 (2025). https://doi.org/10.1016/j.nanoen.2025.111086
- K. Adpakpang, S.M. Oh, D.A. Agyeman, X. Jin, N. Jarulertwathana et al., Holey 2D nanosheets of low-valent manganese oxides with an excellent oxygen catalytic activity and a high functionality as a catalyst for Li–O2 batteries. Adv. Funct. Mater. 28(17), 1707106 (2018). https://doi.org/10.1002/adfm.201707106
- W. Yao, Y. Yuan, G. Tan, C. Liu, M. Cheng et al., Tuning Li2O2 formation routes by facet engineering of MnO2 cathode catalysts. J. Am. Chem. Soc. 141(32), 12832–12838 (2019). https://doi.org/10.1021/jacs.9b05992
- L. Ma, N. Meng, Y. Zhang, F. Lian, Improved electrocatalytic activity of δ-MnO2@MWCNTs by inducing the oriented growth of oxygen reduction products in Li-O2 batteries. Nano Energy 58, 508–516 (2019). https://doi.org/10.1016/j.nanoen.2019.01.089
- C. Wang, Y. Zhao, J. Liu, P. Gong, X. Li et al., Highly hierarchical porous structures constructed from NiO nanosheets act as Li ion and O2 pathways in long cycle life, rechargeable Li–O2 batteries. Chem. Commun. 52(79), 11772–11774 (2016). https://doi.org/10.1039/C6CC05349A
- S. Yin, D. Yan, Y. Yan, S. Liu, Q. Lu et al., Engineering of MnTe/MnO heterostructures with interfacial electric field modulation for efficient and durable Li–O2 batteries. Small 20(50), 2406525 (2024). https://doi.org/10.1002/smll.202406525
- G. Sun, D. Yang, Z. Zhang, Y. Wang, W. Lu et al., Oxygen vacancy-rich MoO3 nanorods as photocatalysts for photo-assisted Li–O2 batteries. J. Adv. Ceram. 12(4), 747–759 (2023). https://doi.org/10.26599/jac.2023.9220717
- Z. Sun, Y. Hu, J. Zhang, N. Zhou, M. Li et al., Interfacial oxygen bridge bonding with Mo-O-Ti units in MoOx@Ti3C2 MXene harness efficient Li-O2 battery at high rate. Appl. Catal. B Environ. Energy 351, 123984 (2024). https://doi.org/10.1016/j.apcatb.2024.123984
- X. Cao, X. Zheng, Z. Sun, C. Jin, J. Tian et al., Oxygen defect-ridden molybdenum oxide-coated carbon catalysts for Li-O2 battery cathodes. Appl. Catal. B Environ. 253, 317–322 (2019). https://doi.org/10.1016/j.apcatb.2019.04.077
- Z. Zhang, W. Fang, G. Fang, M. Bai, X. Hu, Construct heterostructures of MoO3 nanorods modified with Fe2O3 rice grains to improve the performance of light-involved Li-O2 battery. Appl. Surf. Sci. 670, 160626 (2024). https://doi.org/10.1016/j.apsusc.2024.160626
- Z. Xue, C. Gao, Q. Li, M. Yu, Z. Wang et al., Bifunctional WO3/TiO2 heterojunction photocathode for high-performance photo-assisted Li–O2 battery. J. Electroanal. Chem. 947, 117781 (2023). https://doi.org/10.1016/j.jelechem.2023.117781
- Z. Xue, Z. Wang, Q. Li, D. Wang, L. Xiang et al., Tailored plasmonic Ru/OV-MoO2 on TiO2 catalysts via solid-phase interface engineering: toward highly efficient photoassisted Li–O2 batteries with enhanced cycling reliability. ACS Appl. Mater. Interfaces 14(39), 44251–44260 (2022). https://doi.org/10.1021/acsami.2c08834
- M. Wang, Z. Tian, G. Li, Y. Xiao, G. Chen et al., Edge-dislocated WO3 photocathode toward efficient photo-assisted Li-O2 batteries. Adv. Mater. 37(40), e01716 (2025). https://doi.org/10.1002/adma.202501716
- F. Wang, P. Zou, Y. Zhang, W. Pan, Y. Li et al., Activating lattice oxygen in high-entropy LDH for robust and durable water oxidation. Nat. Commun. 14, 6019 (2023). https://doi.org/10.1038/s41467-023-41706-8
- L. Lu, Y. Zheng, R. Yang, A. Kakimov, X. Li, Recent advances of layered double hydroxides–based bifunctional electrocatalysts for ORR and OER. Mater. Today Chem. 21, 100488 (2021). https://doi.org/10.1016/j.mtchem.2021.100488
- M. Xu, M. Wei, Layered double hydroxide-based catalysts: recent advances in preparation, structure, and applications. Adv. Funct. Mater. 28(47), 1802943 (2018). https://doi.org/10.1002/adfm.201802943
- Y. Xia, T. Mao, S. Lin, J. Yan, J. Han et al., Optimizing the surface structure of floriform NiFe-layered double hydroxides as efficient electrocatalysts for Li-O2 batteries. Electrochim. Acta 544, 147671 (2025). https://doi.org/10.1016/j.electacta.2025.147671
- S. Sandhiya, P. Elumalai, Compositionally engineered NiCoLDH@rGO as bifunctional cathode catalyst for rechargeable Li-O2/Li-CO2 battery. Electrochim. Acta 487, 144195 (2024). https://doi.org/10.1016/j.electacta.2024.144195
- Y. Zhu, S. Zhi, B. Wan, CoFe-LDH nanocage derived from MOF coupled with CNTs as cathode catalyst for Li-O2 batteries. Electrochim. Acta 511, 145384 (2025). https://doi.org/10.1016/j.electacta.2024.145384
- Y. Zhou, D. Yan, Q. Gu, S. Zhu, L. Wang et al., Implanting cation vacancies in Ni-Fe LDHs for efficient oxygen evolution reactions of lithium-oxygen batteries. Appl. Catal. B Environ. 285, 119792 (2021). https://doi.org/10.1016/j.apcatb.2020.119792
- X. Wang, C. Pei, Q. Wang, W. Ge, J. Huo et al., Boosting the electrocatalytic activity of hollow NiCo layered double hydroxides nanocages via a self-regulating support effect: a highly efficient oxygen electrode for lithium-oxygen batteries. Appl. Surf. Sci. 558, 149888 (2021). https://doi.org/10.1016/j.apsusc.2021.149888
- S.-M. Xu, Q.-C. Zhu, J. Long, H.-H. Wang, X.-F. Xie et al., Low-overpotential Li–O2 batteries based on TFSI intercalated co–Ti layered double oxides. Adv. Funct. Mater. 26(9), 1365–1374 (2016). https://doi.org/10.1002/adfm.201504128
- X. Lu, N. Sakai, D. Tang, X. Li, T. Taniguchi et al., CoNiFe layered double hydroxide/RuO2.1 nanosheet superlattice as carbon-free electrocatalysts for water splitting and Li–O2 batteries. ACS Appl. Mater. Interfaces 12(29), 33083–33093 (2020). https://doi.org/10.1021/acsami.0c07656
- Y. Lin, Y. Zhang, J. Bao, J. Qiu, D. Guo et al., Terephthalic acid intercalated CoNi-LDH materials for improved Li–O2 battery. Small 19(48), e2302979 (2023). https://doi.org/10.1002/smll.202302979
- B. Zhao, Y. Wu, L. Han, Z. Xia, Q. Wang et al., Collective, bifunctional 1D CNT/2D TMOH hybrid sponge as high-capacity and long-cycle Li-O2 cathode. Energy Storage Mater. 50, 344–354 (2022). https://doi.org/10.1016/j.ensm.2022.05.029
- Z. Chen, X. Fan, Z. Shen, X. Ruan, L. Wang et al., Cu anchored Ti2NO2 as high performance electrocatalyst for oxygen evolution reaction: a density functional theory study. ChemCatChem 12(16), 4059–4066 (2020). https://doi.org/10.1002/cctc.202000591
- M.A.U. Din, S.S. Ahmad Shah, M.S. Javed, M. Sohail, A.U. Rehman et al., Synthesis of MXene-based single-atom catalysts for energy conversion applications. Chem. Eng. J. 474, 145700 (2023). https://doi.org/10.1016/j.cej.2023.145700
- L. Zhao, Z. Ma, Y. Song, L. Li, H. Wang, Recent advances in modification strategies of MXene-based catalysts for high-performance Li-O2 and Li-CO2 batteries. Chem. Eng. J. 524, 169454 (2025). https://doi.org/10.1016/j.cej.2025.169454
- P. Wang, D. Zhao, X. Hui, Z. Qian, P. Zhang et al., Bifunctional catalytic activity guided by rich crystal defects in Ti3C2 MXene quantum dot clusters for Li–O2 batteries. Adv. Energy Mater. 11(32), 2003069 (2021). https://doi.org/10.1002/aenm.202003069
- J. Li, K. Han, J. Huang, G. Li, S. Peng et al., Polarized nucleation and efficient decomposition of Li2O2 for Ti2C MXene cathode catalyst under a mixed surface condition in lithium-oxygen batteries. Energy Storage Mater. 35, 669–678 (2021). https://doi.org/10.1016/j.ensm.2020.12.004
- Y. Jiang, M. Tian, H. Wang, C. Wei, Z. Sun et al., Mildly oxidized MXene (Ti3C2, Nb2C, and V2C) electrocatalyst via a generic strategy enables longevous Li–O2 battery under a high rate. ACS Nano 15(12), 19640–19650 (2021). https://doi.org/10.1021/acsnano.1c06896
- H. Oschinski, Á. Morales-García, F. Illas, Interaction of first row transition metals with M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) MXenes: a quest for single-atom catalysts. J. Phys. Chem. C 125(4), 2477–2484 (2021). https://doi.org/10.1021/acs.jpcc.0c10877
- Y. Yang, J. Chen, J. Tang, F. Xing, M. Yao, Investigation on the structure–performance correlation of TiC MXenes as cathode catalysts for Li-O2 batteries. J. Phys. Chem. C 125(39), 21453–21459 (2021). https://doi.org/10.1021/acs.jpcc.1c06355
- L. Zhu, J. Wang, J. Liu, R. Wang, M. Lin et al., First principles study of the structure–performance relation of pristine Wn+1Cn and oxygen-functionalized Wn+1CnO2 MXenes as cathode catalysts for Li-O2 batteries. Nanomaterials 14(8), 666 (2024). https://doi.org/10.3390/nano14080666
- L. Shi, Z. Li, Y. Li, G. Wang, M. Wu et al., Suppressing redox shuttle with MXene-modified separators for Li–O2 batteries. ACS Appl. Mater. Interfaces 13(26), 30766–30775 (2021). https://doi.org/10.1021/acsami.1c08750
- H. Xu, R. Zheng, D. Du, L. Ren, X. Wen et al., Adjusting the 3d orbital occupation of Ti in Ti3C2 MXene via nitrogen doping to boost oxygen electrode reactions in Li–O2 battery. Small 19(9), 2206611 (2023). https://doi.org/10.1002/smll.202206611
- Y. Dai, Y. Li, X. Ge, X. Fu, Y. Feng et al., Designing highly efficient electrocatalyst for ORR and OER based on Nb2CO2 MXene: the role of transition metals and N-doping content. Langmuir 40(33), 17815–17825 (2024). https://doi.org/10.1021/acs.langmuir.4c02337
- J. Zhang, Y. Zhao, X. Guo, C. Chen, C.-L. Dong et al., Single platinum atoms immobilized on an MXene as an efficient catalyst for the hydrogen evolution reaction. Nat. Catal. 1(12), 985–992 (2018). https://doi.org/10.1038/s41929-018-0195-1
- D. Zhao, P. Wang, H. Di, P. Zhang, X. Hui et al., Single semi-metallic selenium atoms on Ti3C2 MXene nanosheets as excellent cathode for lithium–oxygen batteries. Adv. Funct. Mater. 31(29), 2010544 (2021). https://doi.org/10.1002/adfm.202010544
- D. Cao, L. Zheng, Y. Wang, Y. Dong, Q. Li et al., Ultraviolet-assisted construction of low-Pt-loaded MXene catalysts for high-performance Li–O2 batteries. Energy Storage Mater. 51, 806–814 (2022). https://doi.org/10.1016/j.ensm.2022.07.026
- R. Zheng, D. Du, Y. Yan, S. Liu, X. Wang et al., Cation vacancy modulated interfacial electronic interactions for enhanced electrocatalysis in lithium–oxygen batteries. Adv. Funct. Mater. 34(27), 2316440 (2024). https://doi.org/10.1002/adfm.202316440
- D. Zhang, G. Zhang, R. Liu, R. Yang, X. Li et al., Mutually activated 2D Ti0.87O2/MXene monolayers through electronic compensation effect as highly efficient cathode catalysts of Li–O2 batteries. Adv. Funct. Mater. 35(5), 2414679 (2025). https://doi.org/10.1002/adfm.202414679
- X. Zheng, M. Yuan, H. Li, G. Sun, In situ construction of a P-doped TiO2/Ti3C2Tx heterostructure with local site optimization to improve Li-O2 battery performance. Appl. Surf. Sci. 659, 159880 (2024). https://doi.org/10.1016/j.apsusc.2024.159880
- P. Liu, H. Xu, X. Wang, G. Tian, X. Yu et al., 2D MXene/MBene superlattice with narrow bandgap as superior electrocatalyst for high-performance lithium-oxygen battery. Small 20(45), e2404483 (2024). https://doi.org/10.1002/smll.202404483
- X. Zheng, M. Yuan, D. Guo, C. Wen, X. Li et al., Theoretical design and structural modulation of a surface-functionalized Ti3C2Tx MXene-based heterojunction electrocatalyst for a Li–oxygen battery. ACS Nano 16(3), 4487–4499 (2022). https://doi.org/10.1021/acsnano.1c10890
- Y. Yang, J. Cui, J. Chen, J. Chen, Z. Tang et al., Improving the catalytic activity of TiC in Li–O2 batteries through C surface modification: a first-principle study. J. Phys. Chem. C 128(35), 14621–14626 (2024). https://doi.org/10.1021/acs.jpcc.4c02956
- M. Estili, S. Matsuda, L. Jia, N. Sakai, R. Ma et al., CNT-MXene ultralight membranes: fabrication, surface nano/microstructure, 2D-3D stacking architecture, ion-transport mechanism, and potential application as interlayers for Li–O2 batteries. Nanoscale 15(18), 8289–8303 (2023). https://doi.org/10.1039/d3nr00712j
- Z. Zhu, A. Mosallanezhad, D. Sun, X. Lei, X. Liu et al., Applications of MoS2 in Li–O2 batteries: development and challenges. Energy Fuels 35(7), 5613–5626 (2021). https://doi.org/10.1021/acs.energyfuels.1c00165
- Q. Huang, J. Shen, Y. Lu, R. Ye, S. Gong, Insights into the structural evolution of MoS2 from the semiconductive 2H to metallic 1T phase. J. Phys. Chem. C 127(35), 17406–17414 (2023). https://doi.org/10.1021/acs.jpcc.3c03254
- W. Fu, M. John, T.D. Maddumapatabandi, F. Bussolotti, Y.S. Yau et al., Toward edge engineering of two-dimensional layered transition-metal dichalcogenides by chemical vapor deposition. ACS Nano 17(17), 16348–16368 (2023). https://doi.org/10.1021/acsnano.3c04581
- Z. Sadighi, J. Liu, L. Zhao, F. Ciucci, J.-K. Kim, Metallic MoS2 nanosheets: multifunctional electrocatalyst for the ORR, OER and Li–O2 batteries. Nanoscale 10(47), 22549–22559 (2018). https://doi.org/10.1039/C8NR07106C
- M. Asadi, B. Kumar, C. Liu, P. Phillips, P. Yasaei et al., Cathode based on molybdenum disulfide nanoflakes for lithium-oxygen batteries. ACS Nano 10(2), 2167–2175 (2016). https://doi.org/10.1021/acsnano.5b06672
- M. Asadi, B. Sayahpour, P. Abbasi, A.T. Ngo, K. Karis et al., A lithium–oxygen battery with a long cycle life in an air-like atmosphere. Nature 555(7697), 502–506 (2018). https://doi.org/10.1038/nature25984
- G. Zhang, C. Liu, L. Guo, R. Liu, L. Miao et al., Electronic “bridge” construction via Ag intercalation to diminish catalytic anisotropy for 2D tin diselenide cathode catalyst in lithium–oxygen batteries. Adv. Energy Mater. 12(27), 2200791 (2022). https://doi.org/10.1002/aenm.202200791
- B. He, G. Li, J. Li, J. Wang, H. Tong et al., MoSe2@CNT core–shell nanostructures as grain promoters featuring a direct Li2O2 formation/decomposition catalytic capability in lithium-oxygen batteries. Adv. Energy Mater. 11(18), 2003263 (2021). https://doi.org/10.1002/aenm.202003263
- G. Zhang, G. Li, J. Wang, H. Tong, J. Wang et al., 2D SnSe cathode catalyst featuring an efficient facet-dependent selective Li2O2 growth/decomposition for Li–oxygen batteries. Adv. Energy Mater. 12(21), 2103910 (2022). https://doi.org/10.1002/aenm.202103910
- L. Guo, L. Tan, A. Xu, G. Li, G. Zhang et al., Highly efficient two-dimensional Ag2Te cathode catalyst featuring a layer structure derived catalytic anisotropy in lithium-oxygen batteries. Energy Storage Mater. 50, 96–104 (2022). https://doi.org/10.1016/j.ensm.2022.05.014
- K. Song, J. Jung, M. Park, H. Park, H.-J. Kim et al., Anisotropic surface modulation of Pt catalysts for highly reversible Li–O2 batteries: high index facet as a critical descriptor. ACS Catal. 8(10), 9006–9015 (2018). https://doi.org/10.1021/acscatal.8b02172
- Z. Wang, Q. Zhang, W. Liu, H. Luo, X. Kong et al., Synergistic Zn and MoS2 tailored Co−N/C environments enabling bifunctional ORR/OER electrocatalysis for advanced Li−O2 batteries. Angew. Chem. Int. Ed. 64(16), e202425502 (2025). https://doi.org/10.1002/anie.202425502
- G. Cheng, W. Li, C. Liu, J. Gao, J.-L. Chen et al., A new catalytic merit for prediction catalytic potential of 2D materials in Li O2 batteries: theoretical investigation and experimental identification. J. Materiom. 11(6), 101060 (2025). https://doi.org/10.1016/j.jmat.2025.101060
- G. Sun, F. Li, T. Wu, L. Cong, L. Sun et al., O2 adsorption associated with sulfur vacancies on MoS2 microspheres. Inorg. Chem. 58(3), 2169–2176 (2019). https://doi.org/10.1021/acs.inorgchem.8b03300
- S. Zhang, Z. Huang, Z. Wen, L. Zhang, J. Jin et al., Local lattice distortion activate metastable metal sulfide as catalyst with stable full discharge–charge capability for Li–O2 batteries. Nano Lett. 17(6), 3518–3526 (2017). https://doi.org/10.1021/acs.nanolett.7b00603
- X. Han, L. Zhao, Y. Liang, J. Wang, Y. Long et al., Interfacial electron redistribution on lattice-matching NiS2/NiSe2 homologous heterocages with dual-phase synergy to tune the formation routes of Li2O2. Adv. Energy Mater. 12(47), 2202747 (2022). https://doi.org/10.1002/aenm.202202747
- P. Wang, D. Zhao, P. Zhang, X. Hui, Z. Zhang et al., P-block element modulated 1 T phase MoS2 with Ru lattice grafting for high-performance Li-O2 batteries. Nat. Commun. 16(1), 1453 (2025). https://doi.org/10.1038/s41467-024-55073-5
- Q. Xia, L. Zhao, D. Li, J. Wang, L. Liu et al., Phase modulation of 1T/2H MoSe2 nanoflowers for highly efficient bifunctional electrocatalysis in rechargeable Li–O2 batteries. J. Mater. Chem. A 9(35), 19922–19931 (2021). https://doi.org/10.1039/D1TA03584C
- X. Cao, Y. Zhang, C. Lu, K. Fang, L. Chen et al., Synergistic dual atomic sites with localized electronic modulation enable high-performance Lithium–Oxygen batteries. Chem. Eng. J. 466, 143351 (2023). https://doi.org/10.1016/j.cej.2023.143351
- M. Song, H. Tan, X. Li, A.I.Y. Tok, P. Liang et al., Atomic-layer-deposited amorphous MoS2 for durable and flexible Li–O2 batteries. Small Meth. 4(6), 1900274 (2020). https://doi.org/10.1002/smtd.201900274
- L. Wei, Y. Su, Y. Ma, Y. Gu, Y. Qin et al., Photoluminescent WSe2 nanofibers as freestanding cathode for Solar-assisted Li-O2 battery with ultrahigh capacity and transparent casing. Chem. Eng. J. 448, 137591 (2022). https://doi.org/10.1016/j.cej.2022.137591
- L. Ren, M. Zheng, F. Kong, Z. Yu, N. Sun et al., Light enables the cathodic interface reaction reversibility in solid-state Lithium-Oxygen batteries. Angew. Chem. Int. Ed. Engl. 63(17), e202319529 (2024). https://doi.org/10.1002/anie.202319529
- Y.-X. Yu, Effect of defects and solvents on Silicene cathode of nonaqueous Lithium–Oxygen batteries: a theoretical investigation. J. Phys. Chem. C 123(1), 205–213 (2019). https://doi.org/10.1021/acs.jpcc.8b10367
- Y. Xiao, J. Wang, Y. Wang, W. Zhang, A new promising catalytic activity on blue Phosphorene Nitrogen-doped nanosheets for the ORR as cathode in nonaqueous Li–air batteries. Appl. Surf. Sci. 488, 620–628 (2019). https://doi.org/10.1016/j.apsusc.2019.05.280
- Y. Ji, H. Dong, M. Yang, T. Hou, Y. Li, Monolayer Germanium monochalcogenides (GeS/GeSe) as cathode catalysts in nonaqueous Li–O2 batteries. Phys. Chem. Chem. Phys. 19(31), 20457–20462 (2017). https://doi.org/10.1039/C7CP04044J
- W. Zhang, L. Sun, J.M.V. Nsanzimana, X. Wang, Lithiation/delithiation synthesis of few layer Silicene nanosheets for rechargeable Li–O2 batteries. Adv. Mater. 30(15), 1705523 (2018). https://doi.org/10.1002/adma.201705523
- Y. Lin, L. Li, Z. Shi, L. Zhang, K. Li et al., Catalysis with two-dimensional metal-organic frameworks: synthesis, characterization, and modulation. Small 20(24), 2309841 (2024). https://doi.org/10.1002/smll.202309841
- M. Yuan, R. Wang, W. Fu, L. Lin, Z. Sun et al., Ultrathin two-dimensional metal–organic framework nanosheets with the inherent open active sites as electrocatalysts in aprotic Li–O2 batteries. ACS Appl. Mater. Interfaces 11(12), 11403–11413 (2019). https://doi.org/10.1021/acsami.8b21808
- Q. Lv, Z. Zhu, Y. Ni, J. Geng, F. Li, Spin-state manipulation of two-dimensional metal-organic framework with enhanced metal-oxygen covalency for lithium-oxygen batteries. Angew. Chem. Int. Ed. 61(8), e202114293 (2022). https://doi.org/10.1002/anie.202114293
- Y. Tao, X. Fan, X. Yu, K. Gong, Y. Xia et al., Metal–organic framework with dual excitation pathways as efficient bifunctional catalyst for photo-assisted Li–O2 batteries. Small 20(46), 2403683 (2024). https://doi.org/10.1002/smll.202403683
- L. Liu, H. Lian, H. Deng, W. Zhang, MXene-supported Ni-Co bimetallic MOF 2D lamellar membrane for enhanced electrochemical oxygen reactions and Li-O2 battery. Sci. Rep. 15(1), 13995 (2025). https://doi.org/10.1038/s41598-025-98982-1
- J. Han, Y. Hao, M. Luo, Z. Xie, Z. Zhou, Recent advances in metal–organic frameworks for Li–O2 batteries: advantages, challenges, and innovative design. Mater. Horiz. 12(20), 8334–8350 (2025). https://doi.org/10.1039/D5MH00823A
- N. Zhu, S. Wan, H. Shi, X. Lv, F. Song et al., Cation defective 2D NH2-MIL-125 enhances charge carrier dynamics for boosted photo-assisted lithium-oxygen batteries. Chem. Eng. J. 517, 164335 (2025). https://doi.org/10.1016/j.cej.2025.164335
- Y. Min, H. Yuan, W. Wang, L. Xu, Design of heterostructures of MXene/two-dimensional organic frameworks for Na–O2 batteries with a new mechanism and a new descriptor. J. Phys. Chem. Lett. 12(11), 2742–2748 (2021). https://doi.org/10.1021/acs.jpclett.1c00482
- X.-Z. Wang, Y. Chen, X.-M. Cao, R.-Y. Li, W.-Y. Chen et al., Ligand-insertion strategy for constructing 2D conjugated metal–organic framework with large pore size for electrochemical analytics. Angew. Chem. Int. Ed. 64(1), e202413115 (2025). https://doi.org/10.1002/anie.202413115
- U. Das, K.C. Lau, P.C. Redfern, L.A. Curtiss, Structure and stability of lithium superoxide clusters and relevance to Li-O2 batteries. J. Phys. Chem. Lett. 5(5), 813–819 (2014). https://doi.org/10.1021/jz500084e
- Y. Yang, W. Liu, N. Wu, X. Wang, T. Zhang et al., Tuning the morphology of Li2O2 by noble and 3d metals: a planar model electrode study for Li–O2 battery. ACS Appl. Mater. Interfaces 9(23), 19800–19806 (2017). https://doi.org/10.1021/acsami.7b02663
- A. Khetan, A. Luntz, V. Viswanathan, Trade-offs in capacity and rechargeability in nonaqueous Li–O2 batteries: solution-driven growth versus nucleophilic stability. J. Phys. Chem. Lett. 6(7), 1254–1259 (2015). https://doi.org/10.1021/acs.jpclett.5b00324
- D. Liu, Z. Fu, S. Wang, X. Gong, T. You et al., Machine learning-guided modulation of Li+ solvation structures towards optimal electrolyte systems for high-performance Li−O2 battery. Angew. Chem. 137(9), e202425277 (2025). https://doi.org/10.1002/ange.202425277
- P. Zhang, Y. Yan, D. Legut, Y. Li, Z. Li et al., High-throughput design of active MXene catalysts for Li─O2 battery using machine learning. Adv. Funct. Mater. e32003 (2026). https://doi.org/10.1002/adfm.202532003
- A. Kilic, D. Eroglu, R. Yildirim, Determining the key performance factors in lithium-oxygen batteries using machine learning. J. Electrochem. Soc. 168(9), 090544 (2021). https://doi.org/10.1149/1945-7111/ac2662
- J. Wang, L. Ma, J. Xu, Y. Xu, K. Sun et al., Oxygen electrochemistry in Li-O2 batteries probed by in situ surface-enhanced Raman spectroscopy. SusMat 1(3), 345–358 (2021). https://doi.org/10.1002/sus2.24
- S. Guan, W. Jia, Y. Gao, M. Liu, L. Wang et al., Dual-site geometry mediates dynamic LiO2 binding for efficient lithium-oxygen batteries. Angew. Chem. Int. Ed. 65(10), e23729 (2026). https://doi.org/10.1002/anie.202523729
- K. Zhao, X. Jiang, X. Wu, H. Feng, X. Wang et al., Recent development and applications of differential electrochemical mass spectrometry in emerging energy conversion and storage solutions. Chem. Soc. Rev. 53(13), 6917–6959 (2024). https://doi.org/10.1039/D3CS00840A
- G. Tang, J. Zhang, S. Ma, J. Li, Z. Peng et al., Unveiling gas production in rechargeable batteries via in situ differential electrochemical mass spectrometry. Chem. Soc. Rev. 54(15), 7216–7251 (2025). https://doi.org/10.1039/D5CS00276A
- X. Liu, X. Song, Q. Zhang, X. Zhu, Q. Han et al., Decomposition pathway and stabilization of ether-based electrolytes in the discharge process of Li-O2 battery. J. Energy Chem. 69, 516–523 (2022). https://doi.org/10.1016/j.jechem.2022.01.007
- C.J. Bondue, A.A. Abd-El-Latif, P. Hegemann, H. Baltruschat, Quantitative study for oxygen reduction and evolution in aprotic organic electrolytes at gas diffusion electrodes by DEMS. J. Electrochem. Soc. 162(3), A479–A487 (2015). https://doi.org/10.1149/2.0871503jes
- S. Yao, S. Wang, Y. Liu, Z. Hou, J. Wang et al., High flux and stability of cationic intercalation in transition-metal oxides: unleashing the potential of Mn t2g orbital via enhanced π-donation. J. Am. Chem. Soc. 145(49), 26699–26710 (2023). https://doi.org/10.1021/jacs.3c08264
- D. Zhang, P. Zhang, X. Xu, H. Cao, Z. Wang et al., Motivation of low-energy d orbital from an enhanced intermediate spin state in Fe-doped 2D monolayers boosting electrocatalysis of Li-O2 batteries. J. Energy Chem. 117, 12–21 (2026). https://doi.org/10.1016/j.jechem.2026.01.056
- P. Tereshchuk, D. Golodnitsky, A. Natan, Trends in the adsorption of oxygen and Li2O2 on transition-metal carbide surfaces: a theoretical study. J. Phys. Chem. C 124(14), 7716–7724 (2020). https://doi.org/10.1021/acs.jpcc.9b10863
- J. Lai, H. Liu, Y. Xing, L. Zhao, Y. Shang et al., Local strong solvation electrolyte trade-off between capacity and cycle life of Li-O2 batteries. Adv. Funct. Mater. 31(40), 2101831 (2021). https://doi.org/10.1002/adfm.202101831
- W.-K. Shin, A.G. Kannan, D.-W. Kim, Effective suppression of dendritic lithium growth using an ultrathin coating of nitrogen and sulfur codoped graphene nanosheets on polymer separator for lithium metal batteries. ACS Appl. Mater. Interfaces 7(42), 23700–23707 (2015). https://doi.org/10.1021/acsami.5b07730
- P. Li, Z. Liu, Y. Peng, S. Yang, T. Meng et al., Fast thermal responsive separators toward long-life and safe lithium metal batteries. Nano Res. 17(4), 2746–2754 (2024). https://doi.org/10.1007/s12274-023-6179-8
- C. Li, S. Liu, C. Shi, G. Liang, Z. Lu et al., Two-dimensional molecular brush-functionalized porous bilayer composite separators toward ultrastable high-current density lithium metal anodes. Nat. Commun. 10(1), 1363 (2019). https://doi.org/10.1038/s41467-019-09211-z
- E. Cha, M.D. Patel, J. Park, J. Hwang, V. Prasad et al., 2D MoS2 as an efficient protective layer for lithium metal anodes in high-performance Li-S batteries. Nat. Nanotechnol. 13(4), 337–344 (2018). https://doi.org/10.1038/s41565-018-0061-y
- V. Vijayakumar, M. Ghosh, K. Asokan, S.B. Sukumaran, S. Kurungot et al., 2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries. Adv. Energy Mater. 13(15), 2203326 (2023). https://doi.org/10.1002/aenm.202203326
- D. Han, X. Wang, Y.-N. Zhou, J. Zhang, Z. Liu et al., A graphene-coated thermal conductive separator to eliminate the dendrite-induced local hotspots for stable lithium cycling. Adv. Energy Mater. 12(25), 2201190 (2022). https://doi.org/10.1002/aenm.202201190
- W. Luo, L. Zhou, K. Fu, Z. Yang, J. Wan et al., A thermally conductive separator for stable Li metal anodes. Nano Lett. 15(9), 6149–6154 (2015). https://doi.org/10.1021/acs.nanolett.5b02432
- Y. Kim, D. Koo, S. Ha, S.C. Jung, T. Yim et al., Two-dimensional phosphorene-derived protective layers on a lithium metal anode for lithium-oxygen batteries. ACS Nano 12(5), 4419–4430 (2018). https://doi.org/10.1021/acsnano.8b00348
- Q. Zhang, Z. Yang, X. Gu, Q. Chen, Q. Zhai et al., A functional SnS2-engineered separator for durable and practical lithium metal battery. Energy Storage Mater. 61, 102900 (2023). https://doi.org/10.1016/j.ensm.2023.102900
- M. Ye, Y. Xiao, Z. Cheng, L. Cui, L. Jiang et al., A smart, anti-piercing and eliminating-dendrite lithium metal battery. Nano Energy 49, 403–410 (2018). https://doi.org/10.1016/j.nanoen.2018.04.078
- C. Xiong, Z. Wang, X. Peng, Y. Guo, S. Xu et al., Bifunctional effect of laser-induced nucleation-preferable microchannels and in situ formed LiF SEI in MXenes for stable lithium-metal batteries. J. Mater. Chem. A 8(28), 14114–14125 (2020). https://doi.org/10.1039/D0TA04302H
- N. Li, Y. Xie, S. Peng, X. Xiong, K. Han, Ultra-lightweight Ti3C2Tx MXene modified separator for Li–S batteries: thickness regulation enabled polysulfide inhibition and lithium ion transportation. J. Energy Chem. 42, 116–125 (2020). https://doi.org/10.1016/j.jechem.2019.06.014
- P. Xiong, F. Zhang, X. Zhang, Y. Liu, Y. Wu et al., Atomic-scale regulation of anionic and cationic migration in alkali metal batteries. Nat. Commun. 12(1), 4184 (2021). https://doi.org/10.1038/s41467-021-24399-9
- X. Duan, Precision chemistry for two-dimensional materials. Precis. Chem. 2(8), 376–379 (2024). https://doi.org/10.1021/prechem.4c00065
- T. Yang, L.-J. Li, J. Zhao, T.H. Ly, Precision chemistry in two-dimensional materials: adding, removing, and replacing the atoms at will. Acc. Mater. Res. 2(10), 863–868 (2021). https://doi.org/10.1021/accountsmr.1c00172
- D. Su, D. Han Seo, Y. Ju, Z. Han, K. Ostrikov et al., Ruthenium nanocrystal decorated vertical graphene nanosheets@Ni foam as highly efficient cathode catalysts for lithium-oxygen batteries. NPG Asia Mater. 8(7), e286 (2016). https://doi.org/10.1038/am.2016.91
- G. Li, C. Dang, Y. Hou, F. Dang, Y. Fan et al., Experimental and theoretical characteristic of single atom co-N-C catalyst for Li-O2 batteries. Eng. Sci. 10, 85–94 (2020). https://doi.org/10.30919/es8d1005
- X. Zhang, G. Zhang, R. Yang, D. Zhang, G. Lian et al., Lattice-dependent activation of highly efficient SnTe cathode catalyst for Li–air batteries. Energy Storage Mater. 69, 103392 (2024). https://doi.org/10.1016/j.ensm.2024.103392
References
D. Deng, K.S. Novoselov, Q. Fu, N. Zheng, Z. Tian et al., Catalysis with two-dimensional materials and their heterostructures. Nat. Nanotechnol. 11(3), 218–230 (2016). https://doi.org/10.1038/nnano.2015.340
F.R. Fan, R. Wang, H. Zhang, W. Wu, Emerging beyond-graphene elemental 2D materials for energy and catalysis applications. Chem. Soc. Rev. 50(19), 10983–11031 (2021). https://doi.org/10.1039/c9cs00821g
T. Bai, D. Li, S. Xiao, F. Ji, S. Zhang et al., Recent progress on single-atom catalysts for lithium–air battery applications. Energy Environ. Sci. 16(4), 1431–1465 (2023). https://doi.org/10.1039/d2ee02949a
L. Li, L. Chen, S. Mukherjee, J. Gao, H. Sun et al., Phosphorene as a polysulfide immobilizer and catalyst in high-performance lithium–sulfur batteries. Adv. Mater. 29(2), 1602734 (2017). https://doi.org/10.1002/adma.201602734
Q. Zhai, H. Huang, T. Lawson, Z. Xia, P. Giusto et al., Recent advances on carbon-based metal-free electrocatalysts for energy and chemical conversions. Adv. Mater. 36(42), 2470337 (2024). https://doi.org/10.1002/adma.202470337
G. Wang, Y. Yang, Q. Zhang, Z. Xie, Z. Zhou, Graphitic carbon nitride (g-C3N4) based photo-assisted Li–O2 batteries: progress, challenge, and perspective. Coord. Chem. Rev. 511, 215879 (2024). https://doi.org/10.1016/j.ccr.2024.215879
H. Jin, C. Guo, X. Liu, J. Liu, A. Vasileff et al., Emerging two-dimensional nanomaterials for electrocatalysis. Chem. Rev. 118(13), 6337–6408 (2018). https://doi.org/10.1021/acs.chemrev.7b00689
P. Roy Chowdhury, H. Medhi, K.G. Bhattacharyya, C. Mustansar Hussain, Recent progress in the design and functionalization strategies of transition metal-based layered double hydroxides for enhanced oxygen evolution reaction: a critical review. Coord. Chem. Rev. 483, 215083 (2023). https://doi.org/10.1016/j.ccr.2023.215083
Y. Zhao, J. Zhang, X. Guo, X. Cao, S. Wang et al., Engineering strategies and active site identification of MXene-based catalysts for electrochemical conversion reactions. Chem. Soc. Rev. 52(9), 3215–3264 (2023). https://doi.org/10.1039/D2CS00698G
X. Zheng, M. Yuan, Y. Zhao, Z. Li, K. Shi et al., Status and prospects of MXene-based lithium–oxygen batteries: theoretical prediction and experimental modulation. Adv. Energy Mater. 13(20), 2204019 (2023). https://doi.org/10.1002/aenm.202204019
X. Chia, M. Pumera, Characteristics and performance of two-dimensional materials for electrocatalysis. Nat. Catal. 1(12), 909–921 (2018). https://doi.org/10.1038/s41929-018-0181-7
B. Ni, X. Wang, Face the edges: catalytic active sites of nanomaterials. Adv. Sci. 2(7), 1500085 (2015). https://doi.org/10.1002/advs.201500085
H. Tao, Q. Fan, T. Ma, S. Liu, H. Gysling et al., Two-dimensional materials for energy conversion and storage. Prog. Mater. Sci. 111, 100637 (2020). https://doi.org/10.1016/j.pmatsci.2020.100637
T. Liu, S. Zhao, Q. Xiong, J. Yu, J. Wang et al., Reversible discharge products in Li–air batteries. Adv. Mater. 35(20), 2208925 (2023). https://doi.org/10.1002/adma.202208925
K. Chen, D.-Y. Yang, G. Huang, X.-B. Zhang, Lithium-air batteries: air-electrochemistry and anode stabilization. Acc. Chem. Res. 54(3), 632–641 (2021). https://doi.org/10.1021/acs.accounts.0c00772
T. Ogasawara, A. Débart, M. Holzapfel, P. Novák, P.G. Bruce, Rechargeable Li2O2 electrode for lithium batteries. J. Am. Chem. Soc. 128(4), 1390–1393 (2006). https://doi.org/10.1021/ja056811q
Z. Lyu, Y. Zhou, W. Dai, X. Cui, M. Lai et al., Recent advances in understanding of the mechanism and control of Li2O2 formation in aprotic Li–O2 batteries. Chem. Soc. Rev. 46(19), 6046–6072 (2017). https://doi.org/10.1039/C7CS00255F
Q. Fu, X. Bao, Surface chemistry and catalysis confined under two-dimensional materials. Chem. Soc. Rev. 46(7), 1842–1874 (2017). https://doi.org/10.1039/c6cs00424e
Q. Zhang, C. Wang, Z. Xie, Z. Zhou, Defective/doped graphene-based materials as cathodes for metal–air batteries. Energy Environ. Mater. 5(4), 1103–1116 (2022). https://doi.org/10.1002/eem2.12293
Q. Xia, Y. Zhai, L. Zhao, J. Wang, D. Li et al., Carbon-supported single-atom catalysts for advanced rechargeable metal-air batteries. Energy Mater. 2(3), 200015 (2022). https://doi.org/10.20517/energymater.2022.13
Y. Zhang, J. Liu, Y. Xu, C. Xie, S. Wang et al., Design and regulation of defective electrocatalysts. Chem. Soc. Rev. 53(21), 10620–10659 (2024). https://doi.org/10.1039/d4cs00217b
Y. Wang, J. Mao, X. Meng, L. Yu, D. Deng et al., Catalysis with two-dimensional materials confining single atoms: concept, design, and applications. Chem. Rev. 119(3), 1806–1854 (2019). https://doi.org/10.1021/acs.chemrev.8b00501
M. Liu, X. Zhu, Y. Song, G. Huang, J. Wei et al., Bifunctional edge-rich nitrogen doped porous carbon for activating oxygen and sulfur. Adv. Funct. Mater. 33(11), 2213395 (2023). https://doi.org/10.1002/adfm.202213395
S. Maiti, M.T. Curnan, S. Subhalaxmi, K.-W. Kim, R. Narayan et al., Adapting single-atom catalysts to Li–O2 batteries: enhancing energy storage. Small 21(35), 2505334 (2025). https://doi.org/10.1002/smll.202505334
Y. Guo, P. Wang, Y. Liu, S. Guo, L. Shi et al., Dual-type atomic Ru promoted bifunctional catalytic process realizing ultralow overpotential for Li-O2 batteries. Appl. Catal. B Environ. Energy 356, 124203 (2024). https://doi.org/10.1016/j.apcatb.2024.124203
W. Ma, J. Yao, F. Xie, X. Wang, H. Wan et al., Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion. Green Energy Environ. 10(1), 109–131 (2025). https://doi.org/10.1016/j.gee.2024.02.006
Y. Zhou, G. Hong, W. Zhang, Nanoengineering of cathode catalysts for Li–O2 batteries. ACS Nano 18(26), 16489–16504 (2024). https://doi.org/10.1021/acsnano.4c04420
G. Zhang, H. Yu, X. Li, X. Zhang, C. Hou et al., Construction of MnS/MoS2 heterostructure on two-dimensional MoS2 surface to regulate the reaction pathways for high-performance Li-O2 batteries. J. Energy Chem. 93, 443–452 (2024). https://doi.org/10.1016/j.jechem.2024.01.076
X. Wen, D. Du, L. Ren, H. Xu, R. Li et al., Creating low coordination atoms on MoS2/NiS2 heterostructure toward modulating the adsorption of oxygenated intermediates in lithium-oxygen batteries. Chem. Eng. J. 442, 136311 (2022). https://doi.org/10.1016/j.cej.2022.136311
G. Li, N. Li, S. Peng, B. He, J. Wang et al., Highly efficient Nb2C MXene cathode catalyst with uniform O-terminated surface for lithium–oxygen batteries. Adv. Energy Mater. 11(1), 2002721 (2021). https://doi.org/10.1002/aenm.202002721
M. Wang, J. Chen, Z. Tian, W. Dai, B. Cui et al., Facet-controlled bifunctional WO3 photocathodes for high-performance photo-assisted Li–O2 batteries. Energy Environ. Sci. 16(2), 523–534 (2023). https://doi.org/10.1039/d2ee03724f
Y. Zheng, R. Gao, L. Zheng, L. Sun, Z. Hu et al., Ultrathin Co3O4 nanosheets with edge-enriched{111}planes as efficient catalysts for lithium–oxygen batteries. ACS Catal. 9(5), 3773–3782 (2019). https://doi.org/10.1021/acscatal.8b05182
Z.-Z. Shen, S.-Y. Lang, C. Zhou, R. Wen, L.-J. Wan, In situ realization of water-mediated interfacial processes at nanoscale in aprotic Li–O2 batteries. Adv. Energy Mater. 10(46), 2002339 (2020). https://doi.org/10.1002/aenm.202002339
A. Kumar, A. Dager, M. Kumar, S. Shamra, A. Baliyan et al., Synthesis and growth mechanism of vertically aligned graphene sheets with precise control over the number of layers for lithium–oxygen batteries. J. Mater. Chem. A. 12(23), 13933–13945 (2024). https://doi.org/10.1039/D3TA06356A
Y. Sun, X.-L. Shi, Y.-L. Yang, G. Suo, L. Zhang et al., Biomass-derived carbon for high-performance batteries: from structure to properties. Adv. Funct. Mater. 32(24), 2201584 (2022). https://doi.org/10.1002/adfm.202201584
S. Nam, M. Mahato, K. Matthews, R.W. Lord, Y. Lee et al., Bimetal organic framework–Ti3C2Tx MXene with metalloporphyrin electrocatalyst for lithium–oxygen batteries. Adv. Funct. Mater. 33(1), 2210702 (2023). https://doi.org/10.1002/adfm.202210702
A. Hu, C. Shu, C. Xu, J. Li, R. Liang et al., Interface-engineered metallic 1T-MoS2 nanosheet array induced via palladium doping enabling catalysis enhancement for lithium–oxygen battery. Chem. Eng. J. 382, 122854 (2020). https://doi.org/10.1016/j.cej.2019.122854
S.-L. Tian, L. Lin, L.-M. Chang, C.-M. Zhao, W.-Q. Liu et al., Research progress of cathode catalyst for field-assisted Li-O2/CO2 battery. J. Energy Storage 86, 111252 (2024). https://doi.org/10.1016/j.est.2024.111252
S.-L. Tian, L.-N. Song, L.-M. Chang, W.-Q. Liu, H.-F. Wang et al., A force-assisted Li−O2 battery based on piezoelectric catalysis and band bending of MoS2/Pd cathode. Adv. Energy Mater. 14(9), 2303215 (2024). https://doi.org/10.1002/aenm.202303215
Z. Liang, W. Wang, Y.-C. Lu, The path toward practical Li-air batteries. Joule 6(11), 2458–2473 (2022). https://doi.org/10.1016/j.joule.2022.10.008
C. Allard, Li–air batteries hitting the road. Nat. Rev. Mater. 8(3), 145 (2023). https://doi.org/10.1038/s41578-023-00546-0
X. Zhang, Z. Xie, Z. Zhou, Recent progress in protecting lithium anodes for Li-O2 batteries. ChemElectroChem 6(7), 1969–1977 (2019). https://doi.org/10.1002/celc.201900081
Z. Cao, Y. Zhang, Y. Cui, J. Gu, Z. Du et al., Harnessing the unique features of 2D materials toward dendrite-free metal anodes. Energy Environ. Mater. 5(1), 45–67 (2022). https://doi.org/10.1002/eem2.12165
F. Wang, X. Ke, K. Shen, L. Zhu, C. Yuan, A critical review on materials and fabrications of thermally stable separators for lithium-ion batteries. Adv. Mater. Technol. 7(5), 2100772 (2022). https://doi.org/10.1002/admt.202100772
Y. An, Y. Tian, J. Feng, Y. Qian, MXenes for advanced separator in rechargeable batteries. Mater. Today 57, 146–179 (2022). https://doi.org/10.1016/j.mattod.2022.06.006
J. Xie, L. Liao, Y. Gong, Y. Li, F. Shi et al., Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode. Sci. Adv. 3(11), eaao3170 (2017). https://doi.org/10.1126/sciadv.aao3170
C. Wang, W. Li, Y. Jin, J. Liu, H. Wang et al., Functional separator enabled by covalent organic frameworks for high-performance Li metal batteries. Small 19(28), 2300023 (2023). https://doi.org/10.1002/smll.202300023
X. Han, J. Chen, M. Chen, W. Zhou, X. Zhou et al., Induction of planar Li growth with designed interphases for dendrite-free Li metal anodes. Energy Storage Mater. 39, 250–258 (2021). https://doi.org/10.1016/j.ensm.2021.04.029
J. Seo, J. Im, M. Kim, D. Song, S. Yoon et al., Recent progress of advanced functional separators in lithium metal batteries. Small 20(33), e2312132 (2024). https://doi.org/10.1002/smll.202312132
J. Lu, Y.J. Lee, X. Luo, K.C. Lau, M. Asadi et al., A lithium–oxygen battery based on lithium superoxide. Nature 529(7586), 377–382 (2016). https://doi.org/10.1038/nature16484
F. Li, J. Chen, Mechanistic evolution of aprotic lithium-oxygen batteries. Adv. Energy Mater. 7(24), 1602934 (2017). https://doi.org/10.1002/aenm.201602934
C. Xia, C.Y. Kwok, L.F. Nazar, A high-energy-density lithium-oxygen battery based on a reversible four-electron conversion to lithium oxide. Science 361(6404), 777–781 (2018). https://doi.org/10.1126/science.aas9343
G. Wang, X. Hu, J. Wang, Y. Wang, Y. Dou et al., Toward practical photo-assisted Li-O2 batteries: a four-electron pathway enabled by Ru-doped β- MnO2. Adv. Mater. 37(34), e2507891 (2025). https://doi.org/10.1002/adma.202507891
L. Johnson, C. Li, Z. Liu, Y. Chen, S.A. Freunberger et al., The role of LiO2 solubility in O2 reduction in aprotic solvents and its consequences for Li–O2 batteries. Nat. Chem. 6(12), 1091–1099 (2014). https://doi.org/10.1038/nchem.2101
D. Aurbach, B.D. McCloskey, L.F. Nazar, P.G. Bruce, Advances in understanding mechanisms underpinning lithium–air batteries. Nat. Energy 1(9), 16128 (2016). https://doi.org/10.1038/nenergy.2016.128
N.B. Aetukuri, B.D. McCloskey, J.M. García, L.E. Krupp, V. Viswanathan et al., Solvating additives drive solution-mediated electrochemistry and enhance toroid growth in non-aqueous Li-O₂ batteries. Nat. Chem. 7(1), 50–56 (2015). https://doi.org/10.1038/nchem.2132
K. Huang, H. Wan, Z. Gong, J. Liu, M. Yan et al., Cobalt single atom-catalyzed formation of LiOH in Li-O2 Batteries via the direct 4-electron oxygen reduction pathway. CCS Chem. 6(10), 2502–2514 (2024). https://doi.org/10.31635/ccschem.024.202303747
G. Yue, Z. Hong, Y. Xia, T. Yang, Y. Wu, Bifunctional electrocatalysts materials for non-aqueous Li–air batteries. Coatings 12(8), 1227 (2022). https://doi.org/10.3390/coatings12081227
W.-J. Kwak, Rosy, D. Sharon, C. Xia, H. Kim et al., Lithium-oxygen batteries and related systems: potential, status, and future. Chem. Rev. 120(14), 6626–6683 (2020). https://doi.org/10.1021/acs.chemrev.9b00609
Q. Qiu, J. Long, P. Yao, J. Wang, X. Li et al., Cathode electrocatalyst in aprotic lithium oxygen (Li-O2) battery: a literature survey. Catal. Today 420, 114138 (2023). https://doi.org/10.1016/j.cattod.2023.114138
Y. Zhou, S. Guo, Recent advances in cathode catalyst architecture for lithium–oxygen batteries. eScience 3(4), 100123 (2023). https://doi.org/10.1016/j.esci.2023.100123
D. Li, L. Zhao, Q. Xia, J. Wang, X. Liu et al., Activating MoS2 nanoflakes via sulfur defect engineering wrapped on CNTs for stable and efficient Li-O2 batteries. Adv. Funct. Mater. 32(8), 2108153 (2022). https://doi.org/10.1002/adfm.202108153
J. Tian, Y. Rao, W. Shi, J. Yang, W. Ning et al., Sabatier relations in electrocatalysts based on high-entropy alloys with wide-distributed d-band centers for Li-O2 batteries. Angew. Chem. Int. Ed. 62(44), e202310894 (2023). https://doi.org/10.1002/anie.202310894
Y. Zhou, Q. Gu, K. Yin, L. Tao, Y. Li et al., Cascaded orbital-oriented hybridization of intermetallic Pd3Pb boosts electrocatalysis of LiO2 battery. Proc. Natl. Acad. Sci. U. S. A. 120(25), e2301439120 (2023). https://doi.org/10.1073/pnas.2301439120
W. Zhou, C. Feng, X. Li, X. Jiang, L. Jing et al., Boosting electrochemical urea synthesis via constructing ordered Pd-Zn active pair. Nano-Micro Lett. 16(1), 247 (2024). https://doi.org/10.1007/s40820-024-01462-w
A. Mao, J. Li, J.-H. Li, H. Liu, C. Lian, Reducing overpotential of lithium-oxygen batteries by diatomic metal catalyst orbital matching strategy. J. Phys. Chem. Lett. 15(20), 5501–5509 (2024). https://doi.org/10.1021/acs.jpclett.4c01160
Y. Xia, L. Wang, G. Gao, T. Mao, Z. Wang et al., Constructed Mott-Schottky heterostructure catalyst to trigger interface disturbance and manipulate redox kinetics in Li-O2 battery. Nano-Micro Lett. 16(1), 258 (2024). https://doi.org/10.1007/s40820-024-01476-4
Q. Yang, Y. Wu, H. Feng, H. Liu, X. Lou et al., Revisiting Li-CO2/O2 battery chemistry through the spatial distributions of discharge products and their oxidation behaviors. Energy Storage Mater. 71, 103626 (2024). https://doi.org/10.1016/j.ensm.2024.103626
P.-F. Zhang, H.-Y. Zhuo, Y.-Y. Dong, Y. Zhou, Y.-W. Li et al., Pt nanops confined in a 3D porous FeNC matrix as efficient catalysts for rechargeable Li-O2/O2 batteries. ACS Appl. Mater. Interfaces 15(2), 2940–2950 (2023). https://doi.org/10.1021/acsami.2c18857
P.-F. Zhang, J.-Y. Zhang, T. Sheng, Y.-Q. Lu, Z.-W. Yin et al., Synergetic effect of Ru and NiO in the electrocatalytic decomposition of Li2CO3 to enhance the performance of a Li-CO2/O2 battery. ACS Catal. 10(2), 1640–1651 (2020). https://doi.org/10.1021/acscatal.9b04138
J. Lai, Y. Xing, N. Chen, L. Li, F. Wu et al., Electrolytes for rechargeable lithium–air batteries. Angew. Chem. Int. Ed. 59(8), 2974–2997 (2020). https://doi.org/10.1002/anie.201903459
H.C. Lee, J.O. Park, M. Kim, H.J. Kwon, J.-H. Kim et al., High-energy-density Li-O2 battery at cell scale with folded cell structure. Joule 3(2), 542–556 (2019). https://doi.org/10.1016/j.joule.2018.11.016
R. Rojaee, R. Shahbazian-Yassar, Two-dimensional materials to address the lithium battery challenges. ACS Nano 14(3), 2628–2658 (2020). https://doi.org/10.1021/acsnano.9b08396
X. Wu, X. Wang, Z. Li, L. Chen, S. Zhou et al., Stabilizing Li-O2 batteries with multifunctional fluorinated graphene. Nano Lett. 22(12), 4985–4992 (2022). https://doi.org/10.1021/acs.nanolett.2c01713
Y. Dou, Z. Xie, Y. Wei, Z. Peng, Z. Zhou, Redox mediators for high-performance lithium–oxygen batteries. Natl. Sci. Rev. 9(4), nwac040 (2022). https://doi.org/10.1093/nsr/nwac040
W. Liu, N. Wang, R. Zhong, F. Liu, Y. Wu et al., Enhancing reaction kinetics in aprotic magnesium-air batteries using a freestanding flexible metal-free carbon fiber cathode. Chem. Eng. J. 497, 154393 (2024). https://doi.org/10.1016/j.cej.2024.154393
L. Zhang, S.-H. Luo, P. Li, M. Sun, S. Yan, MOF-derived CoP nanops anchored on P, N Co-doped carbon nanoframework as robust electrocatalyst for rechargeable Li-O2 batteries. J. Energy Storage 74, 109342 (2023). https://doi.org/10.1016/j.est.2023.109342
Y. Li, Y. Li, Y. Ding, J. Ma, P. Das et al., Spatially confined sub-nanometer Pt in RuO2 nanosheet as robust bifunctional oxygen electrocatalyst for stabilizing Li-O2 batteries. Chem Catal. 3(9), 100658 (2023). https://doi.org/10.1016/j.checat.2023.100658
Y. Wu, X. Zhu, X. Ji, W. Liu, W. Wan et al., Graphene quantum dots as a highly efficient electrocatalyst for lithium–oxygen batteries. J. Mater. Chem. A 8(42), 22356–22368 (2020). https://doi.org/10.1039/D0TA07587F
Y. Wang, X. Zhu, Y. Wu, Z. Man, X. Wen et al., Boosting the kinetics with graphene quantum dots (GQDs)-decorated NiCo2O4 nanosheets towards high-performance Li-O2 batteries. Electrochim. Acta 441, 141752 (2023). https://doi.org/10.1016/j.electacta.2022.141752
J. Zhu, M. Metzger, M. Antonietti, T.-P. Fellinger, Vertically aligned two-dimensional graphene-metal hydroxide hybrid arrays for Li-O2 batteries. ACS Appl. Mater. Interfaces 8(39), 26041–26050 (2016). https://doi.org/10.1021/acsami.6b08222
J. Shui, F. Du, C. Xue, Q. Li, L. Dai, Vertically aligned N-doped coral-like carbon fiber arrays as efficient air electrodes for high-performance nonaqueous Li-O2 batteries. ACS Nano 8(3), 3015–3022 (2014). https://doi.org/10.1021/nn500327p
W. Zheng, X. Zhao, W. Fu, Review of vertical graphene and its applications. ACS Appl. Mater. Interfaces 13(8), 9561–9579 (2021). https://doi.org/10.1021/acsami.0c19188
D. Su, D.H. Seo, Y. Ju, Z. Han, K. Ostrikov et al., Ruthenium nanocrystal decorated vertical graphene nanosheets@Ni foam as highly efficient cathode catalysts for lithium-oxygen batteries. NPG Asia Mater. 8(7), e286 (2016). https://doi.org/10.1038/am.2016.91
S. Jiang, Z. Zhang, N. Yang, L. Li, Z. Wei, Probing the interaction between nitrogen dopants and edge structures of doped graphene catalysts for the highly efficient oxygen reduction reaction. J. Phys. Chem. C 126(45), 19113–19121 (2022). https://doi.org/10.1021/acs.jpcc.2c04293
S. Pavlov, R.R. Nazmutdinov, M.V. Fedorov, S.A. Kislenko, Role of graphene edges in the electron transfer kinetics: insight from theory and molecular modeling. J. Phys. Chem. C 123(11), 6627–6634 (2019). https://doi.org/10.1021/acs.jpcc.8b12531
T. Zheng, Y. Ren, X. Han, J. Zhang, Design principles of nitrogen-doped graphene nanoribbons as highly effective bifunctional catalysts for Li–O2 batteries. Phys. Chem. Chem. Phys. 24(37), 22589–22598 (2022). https://doi.org/10.1039/D2CP03001B
J. Liu, X. Feng, Synthetic tailoring of graphene nanostructures with zigzag-edged topologies: progress and perspectives. Angew. Chem. Int. Ed. 59(52), 23386–23401 (2020). https://doi.org/10.1002/anie.202008838
K. He, A.W. Robertson, Y. Fan, C.S. Allen, Y.-C. Lin et al., Temperature dependence of the reconstruction of zigzag edges in graphene. ACS Nano 9(5), 4786–4795 (2015). https://doi.org/10.1021/acsnano.5b01130
Y. Yao, J. Cao, W. Yin, Q. Zhang, L. Yang et al., Modified graphene sheets as promising cathode catalysts for Li–O2 batteries: a first-principles study. J. Phys. Chem. C 125(8), 4363–4370 (2021). https://doi.org/10.1021/acs.jpcc.0c09616
J. Kang, J.-S. Yu, B. Han, First-principles design of graphene-based active catalysts for oxygen reduction and evolution reactions in the aprotic Li-O2 battery. J. Phys. Chem. Lett. 7(14), 2803–2808 (2016). https://doi.org/10.1021/acs.jpclett.6b01071
H.R. Jiang, P. Tan, M. Liu, Y.K. Zeng, T.S. Zhao, Unraveling the positive roles of point defects on carbon surfaces in nonaqueous lithium–oxygen batteries. J. Phys. Chem. C 120(33), 18394–18402 (2016). https://doi.org/10.1021/acs.jpcc.6b04241
X. Zhu, Y. Wu, Z. Wang, Y. Wang, Z. Man et al., Hierarchical architecture: a novel, facile and cost-efficient strategy to boost electrochemical performance of Li-O2 battery cathodes. Chem. Eng. J. 450, 138462 (2022). https://doi.org/10.1016/j.cej.2022.138462
K. Nomura, H. Nishihara, N. Kobayashi, T. Asada, T. Kyotani, 4.4 V supercapacitors based on super-stable mesoporous carbon sheet made of edge-free graphene walls. Energy Environ. Sci. 12(5), 1542–1549 (2019). https://doi.org/10.1039/C8EE03184C
W. Yu, T. Yoshii, A. Aziz, R. Tang, Z.-Z. Pan et al., Edge-site-free and topological-defect-rich carbon cathode for high-performance lithium-oxygen batteries. Adv. Sci. 10(16), 2300268 (2023). https://doi.org/10.1002/advs.202300268
Z. Shen, W. Yu, A. Aziz, K. Chida, T. Yoshii et al., Sequential catalysis of defected-carbon and solid catalyst in Li–O2 batteries. J. Phys. Chem. C 127(13), 6239–6247 (2023). https://doi.org/10.1021/acs.jpcc.3c01042
W. Yu, Z. Shen, T. Yoshii, S. Iwamura, M. Ono et al., Hierarchically porous and minimally stacked graphene cathodes for high-performance lithium–oxygen batteries. Adv. Energy Mater. 14(2), 2470006 (2024). https://doi.org/10.1002/aenm.202470006
X. Cui, Y. Luo, Y. Zhou, W. Dong, W. Chen, Application of functionalized graphene in Li–O2 batteries. Nanotechnology 32(13), 132003 (2021). https://doi.org/10.1088/1361-6528/abd1a7
B. Hou, X. Lei, S. Zhong, B. Sun, C. Ouyang, Dissociation of (Li2O2) 0,+ on graphene and boron-doped graphene: insights from first-principles calculations. Phys. Chem. Chem. Phys. 22(25), 14216–14224 (2020). https://doi.org/10.1039/D0CP02597F
F. Xiao, Z. Lin, J. Zhang, Y. Lei, Y. Meng et al., A novel approach to facile synthesis of boron and nitrogen Co-doped graphene and its application in lithium oxygen batteries. Energy Storage Mater. 41, 61–68 (2021). https://doi.org/10.1016/j.ensm.2021.05.042
A. Wu, G. Wei, F. Yang, G. Xia, X. Yan et al., Nitrogen and iodine dual-doped 3D porous graphene as a bi-functional cathode catalyst for Li-O2 batteries. Electrochim. Acta 318, 354–361 (2019). https://doi.org/10.1016/j.electacta.2019.05.099
J. Han, X. Guo, Y. Ito, P. Liu, D. Hojo et al., Effect of chemical doping on cathodic performance of bicontinuous nanoporous graphene for Li-O2 batteries. Adv. Energy Mater. 6(3), 1501870 (2016). https://doi.org/10.1002/aenm.201501870
D. Wu, S. Wu, G. Zhang, C. Hui, D. Cao et al., Boosting Li–O2 battery performance via coupling of P–N site-rich N, P Co-doped graphene-like carbon nanosheets with nano-CePO4. Small 19(19), 2206455 (2023). https://doi.org/10.1002/smll.202206455
C. Ma, Q. Liao, H. Sun, S. Lei, Y. Zheng et al., Tuning the doping types in graphene sheets by N monoelement. Nano Lett. 18(1), 386–394 (2018). https://doi.org/10.1021/acs.nanolett.7b04249
Y. Jing, Z. Zhou, Computational insights into oxygen reduction reaction and initial Li2O2 nucleation on pristine and N-doped graphene in Li–O2 batteries. ACS Catal. 5(7), 4309–4317 (2015). https://doi.org/10.1021/acscatal.5b00332
K.-H. Yun, Y. Hwang, Y.-C. Chung, Effective catalytic media using graphitic nitrogen-doped site in graphene for a non-aqueous Li–O2 battery: a density functional theory study. J. Power. Sources 277, 222–227 (2015). https://doi.org/10.1016/j.jpowsour.2014.12.021
M. Wang, D. Li, Y. Yao, T. Zhao, F. Wu, Effect of nitrogen dopant forms of biochar cathode on the discharge mechanism of Li-O2 battery. J. Electrochem. Soc. 168(9), 090517 (2021). https://doi.org/10.1149/1945-7111/ac03f4
S. Li, M. Wang, Y. Yao, T. Zhao, L. Yang et al., Effect of the activation process on the microstructure and electrochemical properties of N-doped carbon cathodes in Li-O2 batteries. ACS Appl. Mater. Interfaces 11(38), 34997–35004 (2019). https://doi.org/10.1021/acsami.9b12691
X. Ning, Y. Li, J. Ming, Q. Wang, H. Wang et al., Electronic synergism of pyridinic- and graphitic-nitrogen on N-doped carbons for the oxygen reduction reaction. Chem. Sci. 10(6), 1589–1596 (2019). https://doi.org/10.1039/C8SC04596H
Z. Zhang, F. Zhang, Z. Song, L. Zhang, Oxygen reduction reaction on pyridinic nitrogen-functionalized carbon: active site quantification and effects of Lewis basicity. ACS Catal. 15(1), 296–309 (2025). https://doi.org/10.1021/acscatal.4c05289
M. Fan, Z.-Q. Feng, C. Zhu, X. Chen, C. Chen et al., Recent progress in 2D or 3D N-doped graphene synthesis and the characterizations, properties, and modulations of N species. J. Mater. Sci. 51(23), 10323–10349 (2016). https://doi.org/10.1007/s10853-016-0250-8
Z. Zhu, Y. Ni, Q. Lv, J. Geng, W. Xie et al., Surface plasmon mediates the visible light-responsive lithium-oxygen battery with Au nanops on defective carbon nitride. Proc. Natl. Acad. Sci. U. S. A. 118(17), e2024619118 (2021). https://doi.org/10.1073/pnas.2024619118
P.P. Bazianos, Z. Jiang, A.M. Rappe, Catalytic promotion of transition-metal-doped graphene cathodes in Li-CO2 batteries. J. Phys. Chem. C 129(12), 5798–5807 (2025). https://doi.org/10.1021/acs.jpcc.4c06763
J. Zheng, W. Zhang, R. Wang, J. Wang, Y. Zhai et al., Single-atom Pd-N4 catalysis for stable low-overpotential lithium-oxygen battery. Small 19(10), e2204559 (2023). https://doi.org/10.1002/smll.202204559
X. Hu, G. Luo, Q. Zhao, D. Wu, T. Yang et al., Ru single atoms on N-doped carbon by spatial confinement and ionic substitution strategies for high-performance Li–O2 batteries. J. Am. Chem. Soc. 142(39), 16776–16786 (2020). https://doi.org/10.1021/jacs.0c07317
T. Bai, J. Wang, H. Zhang, F. Ji, W. Song et al., Atomic Ni-catalyzed cathode and stabilized Li metal anode for high-performance Li–O2 batteries. eScience 5(1), 100310 (2025). https://doi.org/10.1016/j.esci.2024.100310
Z. Mohamed, Q. Zhou, K. Zhu, G. Zhang, W. Xu et al., Single-atom catalyst induced amorphous Li2O2 layer enduring lithium–oxygen batteries with high capacity. Adv. Funct. Mater. 35(1), 2410091 (2025). https://doi.org/10.1002/adfm.202410091
L.-J. Zheng, Y. Yan, X.-X. Wang, L.-N. Song, H.-F. Wang et al., Regulating electrochemistry kinetics and discharge product selectivity with near-free cobalt single-atom catalyst in Li–O2 batteries. Energy Storage Mater. 56, 331–341 (2023). https://doi.org/10.1016/j.ensm.2023.01.024
W. Zhang, J. Zheng, R. Wang, L. Huang, J. Wang et al., Water-trapping single-atom co-N4/graphene triggering direct 4e− LiOH chemistry for rechargeable aprotic Li–O2 batteries. Small 19(33), 2301391 (2023). https://doi.org/10.1002/smll.202301391
Y. Lim, H. Chang, H. Kim, Y.J. Yoo, Y. Rho et al., Sequential element control of non-precious dual atom catalysts on mesoporous carbon nanotubes for high performance lithium–oxygen batteries. J. Mater. Chem. A. 12(42), 28953–28964 (2024). https://doi.org/10.1039/D4TA05490C
Y. Fu, N. Wang, M. Huang, Z. Li, Y. Lu et al., Precisely engineering of Ångström-scale dual single atom drive [Co-O] spin-orbit coupling to boost lithium–oxygen batteries electrocatalysis. Adv. Funct. Mater. 35(13), 2418098 (2025). https://doi.org/10.1002/adfm.202418098
D. Li, Q. Zhang, Z. Shen, K. Siddharth, L. Chen et al., 3D hexapod-shaped Co-ZIFs-S derived co nanops embedded into nitrogen and sulfur Co-doped carbon decorated with ruthenium nanops as efficient catalyst for rechargeable lithium oxygen battery. Nano Energy 91, 106644 (2022). https://doi.org/10.1016/j.nanoen.2021.106644
R. Palani, Y.-S. Wu, S.-H. Wu, J.-K. Chang, R. Jose et al., Cobalt nanoclusters deposit on nitrogen-doped graphene sheets as bifunctional electrocatalysts for high performance lithium - oxygen batteries. J. Colloid Interface Sci. 680(Pt A), 845–858 (2025). https://doi.org/10.1016/j.jcis.2024.11.066
Z. Lian, Y. Lu, S. Zhao, Z. Li, Q. Liu, Engineering the electronic interaction between atomically dispersed Fe and RuO2 attaining high catalytic activity and durability catalyst for Li-O2 battery. Adv. Sci. 10(9), 2205975 (2023). https://doi.org/10.1002/advs.202205975
Y. Li, J. Qin, Y. Ding, J. Ma, P. Das et al., Two-dimensional Mn3O4 nanosheets with dominant (101) crystal planes on graphene as efficient oxygen catalysts for ultrahigh capacity and long-life Li–O2 batteries. ACS Catal. 12(20), 12765–12773 (2022). https://doi.org/10.1021/acscatal.2c02544
X. Chen, Q. Fan, L. Liu, J. Deng, J. Xu, Hybridization of sulfur-defective MoS2 and holey expanded graphite for a long cycling lithium oxygen battery cathode. ACS Appl. Mater. Interfaces 16(40), 53697–53704 (2024). https://doi.org/10.1021/acsami.4c09488
Y. Long, Q. Li, Z. Zhang, Q. Zeng, D. Liu et al., Coupling MoSe2 with non-stoichiometry Ni0.85Se in carbon hollow nanoflowers for efficient electrocatalytic synergistic effect on Li-O2 batteries. Small 20(10), 2304882 (2024). https://doi.org/10.1002/smll.202304882
Y. Xia, S. Lin, J. Yan, R. Xu, J. Han et al., Synergistic Ni/Mn co-doping in Co3O4: a first-principles-based strategy to optimize metal-oxygen bonds for high-performance Li-O2 batteries. J. Colloid Interface Sci. 704, 139355 (2026). https://doi.org/10.1016/j.jcis.2025.139355
X. Xiao, H. Song, S. Lin, Y. Zhou, X. Zhan et al., Scalable salt-templated synthesis of two-dimensional transition metal oxides. Nat. Commun. 7, 11296 (2016). https://doi.org/10.1038/ncomms11296
X. Guo, J. Zhang, Y. Zhao, B. Sun, H. Liu et al., Ultrathin porous NiCo2O4 nanosheets for lithium–oxygen batteries: an excellent performance deriving from an enhanced solution mechanism. ACS Appl. Energy Mater. 2(6), 4215–4223 (2019). https://doi.org/10.1021/acsaem.9b00450
Y. Xia, T. Mao, X. Jin, L. Wang, J. Yan et al., Constructed the microflower-like NiFe2O4/CeO2 composites with high concentration of oxygen vacancies to accelerate the three-phase reaction in lithium-oxygen batteries. J. Colloid Interface Sci. 680, 418–426 (2025). https://doi.org/10.1016/j.jcis.2024.11.128
Y. Xia, S. Fan, X. Jin, L. Wang, S. Lin et al., Amorphous interface-controlled discharge product formation: a pathway to high-performance lithium-oxygen batteries. Nano Energy 141, 111086 (2025). https://doi.org/10.1016/j.nanoen.2025.111086
K. Adpakpang, S.M. Oh, D.A. Agyeman, X. Jin, N. Jarulertwathana et al., Holey 2D nanosheets of low-valent manganese oxides with an excellent oxygen catalytic activity and a high functionality as a catalyst for Li–O2 batteries. Adv. Funct. Mater. 28(17), 1707106 (2018). https://doi.org/10.1002/adfm.201707106
W. Yao, Y. Yuan, G. Tan, C. Liu, M. Cheng et al., Tuning Li2O2 formation routes by facet engineering of MnO2 cathode catalysts. J. Am. Chem. Soc. 141(32), 12832–12838 (2019). https://doi.org/10.1021/jacs.9b05992
L. Ma, N. Meng, Y. Zhang, F. Lian, Improved electrocatalytic activity of δ-MnO2@MWCNTs by inducing the oriented growth of oxygen reduction products in Li-O2 batteries. Nano Energy 58, 508–516 (2019). https://doi.org/10.1016/j.nanoen.2019.01.089
C. Wang, Y. Zhao, J. Liu, P. Gong, X. Li et al., Highly hierarchical porous structures constructed from NiO nanosheets act as Li ion and O2 pathways in long cycle life, rechargeable Li–O2 batteries. Chem. Commun. 52(79), 11772–11774 (2016). https://doi.org/10.1039/C6CC05349A
S. Yin, D. Yan, Y. Yan, S. Liu, Q. Lu et al., Engineering of MnTe/MnO heterostructures with interfacial electric field modulation for efficient and durable Li–O2 batteries. Small 20(50), 2406525 (2024). https://doi.org/10.1002/smll.202406525
G. Sun, D. Yang, Z. Zhang, Y. Wang, W. Lu et al., Oxygen vacancy-rich MoO3 nanorods as photocatalysts for photo-assisted Li–O2 batteries. J. Adv. Ceram. 12(4), 747–759 (2023). https://doi.org/10.26599/jac.2023.9220717
Z. Sun, Y. Hu, J. Zhang, N. Zhou, M. Li et al., Interfacial oxygen bridge bonding with Mo-O-Ti units in MoOx@Ti3C2 MXene harness efficient Li-O2 battery at high rate. Appl. Catal. B Environ. Energy 351, 123984 (2024). https://doi.org/10.1016/j.apcatb.2024.123984
X. Cao, X. Zheng, Z. Sun, C. Jin, J. Tian et al., Oxygen defect-ridden molybdenum oxide-coated carbon catalysts for Li-O2 battery cathodes. Appl. Catal. B Environ. 253, 317–322 (2019). https://doi.org/10.1016/j.apcatb.2019.04.077
Z. Zhang, W. Fang, G. Fang, M. Bai, X. Hu, Construct heterostructures of MoO3 nanorods modified with Fe2O3 rice grains to improve the performance of light-involved Li-O2 battery. Appl. Surf. Sci. 670, 160626 (2024). https://doi.org/10.1016/j.apsusc.2024.160626
Z. Xue, C. Gao, Q. Li, M. Yu, Z. Wang et al., Bifunctional WO3/TiO2 heterojunction photocathode for high-performance photo-assisted Li–O2 battery. J. Electroanal. Chem. 947, 117781 (2023). https://doi.org/10.1016/j.jelechem.2023.117781
Z. Xue, Z. Wang, Q. Li, D. Wang, L. Xiang et al., Tailored plasmonic Ru/OV-MoO2 on TiO2 catalysts via solid-phase interface engineering: toward highly efficient photoassisted Li–O2 batteries with enhanced cycling reliability. ACS Appl. Mater. Interfaces 14(39), 44251–44260 (2022). https://doi.org/10.1021/acsami.2c08834
M. Wang, Z. Tian, G. Li, Y. Xiao, G. Chen et al., Edge-dislocated WO3 photocathode toward efficient photo-assisted Li-O2 batteries. Adv. Mater. 37(40), e01716 (2025). https://doi.org/10.1002/adma.202501716
F. Wang, P. Zou, Y. Zhang, W. Pan, Y. Li et al., Activating lattice oxygen in high-entropy LDH for robust and durable water oxidation. Nat. Commun. 14, 6019 (2023). https://doi.org/10.1038/s41467-023-41706-8
L. Lu, Y. Zheng, R. Yang, A. Kakimov, X. Li, Recent advances of layered double hydroxides–based bifunctional electrocatalysts for ORR and OER. Mater. Today Chem. 21, 100488 (2021). https://doi.org/10.1016/j.mtchem.2021.100488
M. Xu, M. Wei, Layered double hydroxide-based catalysts: recent advances in preparation, structure, and applications. Adv. Funct. Mater. 28(47), 1802943 (2018). https://doi.org/10.1002/adfm.201802943
Y. Xia, T. Mao, S. Lin, J. Yan, J. Han et al., Optimizing the surface structure of floriform NiFe-layered double hydroxides as efficient electrocatalysts for Li-O2 batteries. Electrochim. Acta 544, 147671 (2025). https://doi.org/10.1016/j.electacta.2025.147671
S. Sandhiya, P. Elumalai, Compositionally engineered NiCoLDH@rGO as bifunctional cathode catalyst for rechargeable Li-O2/Li-CO2 battery. Electrochim. Acta 487, 144195 (2024). https://doi.org/10.1016/j.electacta.2024.144195
Y. Zhu, S. Zhi, B. Wan, CoFe-LDH nanocage derived from MOF coupled with CNTs as cathode catalyst for Li-O2 batteries. Electrochim. Acta 511, 145384 (2025). https://doi.org/10.1016/j.electacta.2024.145384
Y. Zhou, D. Yan, Q. Gu, S. Zhu, L. Wang et al., Implanting cation vacancies in Ni-Fe LDHs for efficient oxygen evolution reactions of lithium-oxygen batteries. Appl. Catal. B Environ. 285, 119792 (2021). https://doi.org/10.1016/j.apcatb.2020.119792
X. Wang, C. Pei, Q. Wang, W. Ge, J. Huo et al., Boosting the electrocatalytic activity of hollow NiCo layered double hydroxides nanocages via a self-regulating support effect: a highly efficient oxygen electrode for lithium-oxygen batteries. Appl. Surf. Sci. 558, 149888 (2021). https://doi.org/10.1016/j.apsusc.2021.149888
S.-M. Xu, Q.-C. Zhu, J. Long, H.-H. Wang, X.-F. Xie et al., Low-overpotential Li–O2 batteries based on TFSI intercalated co–Ti layered double oxides. Adv. Funct. Mater. 26(9), 1365–1374 (2016). https://doi.org/10.1002/adfm.201504128
X. Lu, N. Sakai, D. Tang, X. Li, T. Taniguchi et al., CoNiFe layered double hydroxide/RuO2.1 nanosheet superlattice as carbon-free electrocatalysts for water splitting and Li–O2 batteries. ACS Appl. Mater. Interfaces 12(29), 33083–33093 (2020). https://doi.org/10.1021/acsami.0c07656
Y. Lin, Y. Zhang, J. Bao, J. Qiu, D. Guo et al., Terephthalic acid intercalated CoNi-LDH materials for improved Li–O2 battery. Small 19(48), e2302979 (2023). https://doi.org/10.1002/smll.202302979
B. Zhao, Y. Wu, L. Han, Z. Xia, Q. Wang et al., Collective, bifunctional 1D CNT/2D TMOH hybrid sponge as high-capacity and long-cycle Li-O2 cathode. Energy Storage Mater. 50, 344–354 (2022). https://doi.org/10.1016/j.ensm.2022.05.029
Z. Chen, X. Fan, Z. Shen, X. Ruan, L. Wang et al., Cu anchored Ti2NO2 as high performance electrocatalyst for oxygen evolution reaction: a density functional theory study. ChemCatChem 12(16), 4059–4066 (2020). https://doi.org/10.1002/cctc.202000591
M.A.U. Din, S.S. Ahmad Shah, M.S. Javed, M. Sohail, A.U. Rehman et al., Synthesis of MXene-based single-atom catalysts for energy conversion applications. Chem. Eng. J. 474, 145700 (2023). https://doi.org/10.1016/j.cej.2023.145700
L. Zhao, Z. Ma, Y. Song, L. Li, H. Wang, Recent advances in modification strategies of MXene-based catalysts for high-performance Li-O2 and Li-CO2 batteries. Chem. Eng. J. 524, 169454 (2025). https://doi.org/10.1016/j.cej.2025.169454
P. Wang, D. Zhao, X. Hui, Z. Qian, P. Zhang et al., Bifunctional catalytic activity guided by rich crystal defects in Ti3C2 MXene quantum dot clusters for Li–O2 batteries. Adv. Energy Mater. 11(32), 2003069 (2021). https://doi.org/10.1002/aenm.202003069
J. Li, K. Han, J. Huang, G. Li, S. Peng et al., Polarized nucleation and efficient decomposition of Li2O2 for Ti2C MXene cathode catalyst under a mixed surface condition in lithium-oxygen batteries. Energy Storage Mater. 35, 669–678 (2021). https://doi.org/10.1016/j.ensm.2020.12.004
Y. Jiang, M. Tian, H. Wang, C. Wei, Z. Sun et al., Mildly oxidized MXene (Ti3C2, Nb2C, and V2C) electrocatalyst via a generic strategy enables longevous Li–O2 battery under a high rate. ACS Nano 15(12), 19640–19650 (2021). https://doi.org/10.1021/acsnano.1c06896
H. Oschinski, Á. Morales-García, F. Illas, Interaction of first row transition metals with M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) MXenes: a quest for single-atom catalysts. J. Phys. Chem. C 125(4), 2477–2484 (2021). https://doi.org/10.1021/acs.jpcc.0c10877
Y. Yang, J. Chen, J. Tang, F. Xing, M. Yao, Investigation on the structure–performance correlation of TiC MXenes as cathode catalysts for Li-O2 batteries. J. Phys. Chem. C 125(39), 21453–21459 (2021). https://doi.org/10.1021/acs.jpcc.1c06355
L. Zhu, J. Wang, J. Liu, R. Wang, M. Lin et al., First principles study of the structure–performance relation of pristine Wn+1Cn and oxygen-functionalized Wn+1CnO2 MXenes as cathode catalysts for Li-O2 batteries. Nanomaterials 14(8), 666 (2024). https://doi.org/10.3390/nano14080666
L. Shi, Z. Li, Y. Li, G. Wang, M. Wu et al., Suppressing redox shuttle with MXene-modified separators for Li–O2 batteries. ACS Appl. Mater. Interfaces 13(26), 30766–30775 (2021). https://doi.org/10.1021/acsami.1c08750
H. Xu, R. Zheng, D. Du, L. Ren, X. Wen et al., Adjusting the 3d orbital occupation of Ti in Ti3C2 MXene via nitrogen doping to boost oxygen electrode reactions in Li–O2 battery. Small 19(9), 2206611 (2023). https://doi.org/10.1002/smll.202206611
Y. Dai, Y. Li, X. Ge, X. Fu, Y. Feng et al., Designing highly efficient electrocatalyst for ORR and OER based on Nb2CO2 MXene: the role of transition metals and N-doping content. Langmuir 40(33), 17815–17825 (2024). https://doi.org/10.1021/acs.langmuir.4c02337
J. Zhang, Y. Zhao, X. Guo, C. Chen, C.-L. Dong et al., Single platinum atoms immobilized on an MXene as an efficient catalyst for the hydrogen evolution reaction. Nat. Catal. 1(12), 985–992 (2018). https://doi.org/10.1038/s41929-018-0195-1
D. Zhao, P. Wang, H. Di, P. Zhang, X. Hui et al., Single semi-metallic selenium atoms on Ti3C2 MXene nanosheets as excellent cathode for lithium–oxygen batteries. Adv. Funct. Mater. 31(29), 2010544 (2021). https://doi.org/10.1002/adfm.202010544
D. Cao, L. Zheng, Y. Wang, Y. Dong, Q. Li et al., Ultraviolet-assisted construction of low-Pt-loaded MXene catalysts for high-performance Li–O2 batteries. Energy Storage Mater. 51, 806–814 (2022). https://doi.org/10.1016/j.ensm.2022.07.026
R. Zheng, D. Du, Y. Yan, S. Liu, X. Wang et al., Cation vacancy modulated interfacial electronic interactions for enhanced electrocatalysis in lithium–oxygen batteries. Adv. Funct. Mater. 34(27), 2316440 (2024). https://doi.org/10.1002/adfm.202316440
D. Zhang, G. Zhang, R. Liu, R. Yang, X. Li et al., Mutually activated 2D Ti0.87O2/MXene monolayers through electronic compensation effect as highly efficient cathode catalysts of Li–O2 batteries. Adv. Funct. Mater. 35(5), 2414679 (2025). https://doi.org/10.1002/adfm.202414679
X. Zheng, M. Yuan, H. Li, G. Sun, In situ construction of a P-doped TiO2/Ti3C2Tx heterostructure with local site optimization to improve Li-O2 battery performance. Appl. Surf. Sci. 659, 159880 (2024). https://doi.org/10.1016/j.apsusc.2024.159880
P. Liu, H. Xu, X. Wang, G. Tian, X. Yu et al., 2D MXene/MBene superlattice with narrow bandgap as superior electrocatalyst for high-performance lithium-oxygen battery. Small 20(45), e2404483 (2024). https://doi.org/10.1002/smll.202404483
X. Zheng, M. Yuan, D. Guo, C. Wen, X. Li et al., Theoretical design and structural modulation of a surface-functionalized Ti3C2Tx MXene-based heterojunction electrocatalyst for a Li–oxygen battery. ACS Nano 16(3), 4487–4499 (2022). https://doi.org/10.1021/acsnano.1c10890
Y. Yang, J. Cui, J. Chen, J. Chen, Z. Tang et al., Improving the catalytic activity of TiC in Li–O2 batteries through C surface modification: a first-principle study. J. Phys. Chem. C 128(35), 14621–14626 (2024). https://doi.org/10.1021/acs.jpcc.4c02956
M. Estili, S. Matsuda, L. Jia, N. Sakai, R. Ma et al., CNT-MXene ultralight membranes: fabrication, surface nano/microstructure, 2D-3D stacking architecture, ion-transport mechanism, and potential application as interlayers for Li–O2 batteries. Nanoscale 15(18), 8289–8303 (2023). https://doi.org/10.1039/d3nr00712j
Z. Zhu, A. Mosallanezhad, D. Sun, X. Lei, X. Liu et al., Applications of MoS2 in Li–O2 batteries: development and challenges. Energy Fuels 35(7), 5613–5626 (2021). https://doi.org/10.1021/acs.energyfuels.1c00165
Q. Huang, J. Shen, Y. Lu, R. Ye, S. Gong, Insights into the structural evolution of MoS2 from the semiconductive 2H to metallic 1T phase. J. Phys. Chem. C 127(35), 17406–17414 (2023). https://doi.org/10.1021/acs.jpcc.3c03254
W. Fu, M. John, T.D. Maddumapatabandi, F. Bussolotti, Y.S. Yau et al., Toward edge engineering of two-dimensional layered transition-metal dichalcogenides by chemical vapor deposition. ACS Nano 17(17), 16348–16368 (2023). https://doi.org/10.1021/acsnano.3c04581
Z. Sadighi, J. Liu, L. Zhao, F. Ciucci, J.-K. Kim, Metallic MoS2 nanosheets: multifunctional electrocatalyst for the ORR, OER and Li–O2 batteries. Nanoscale 10(47), 22549–22559 (2018). https://doi.org/10.1039/C8NR07106C
M. Asadi, B. Kumar, C. Liu, P. Phillips, P. Yasaei et al., Cathode based on molybdenum disulfide nanoflakes for lithium-oxygen batteries. ACS Nano 10(2), 2167–2175 (2016). https://doi.org/10.1021/acsnano.5b06672
M. Asadi, B. Sayahpour, P. Abbasi, A.T. Ngo, K. Karis et al., A lithium–oxygen battery with a long cycle life in an air-like atmosphere. Nature 555(7697), 502–506 (2018). https://doi.org/10.1038/nature25984
G. Zhang, C. Liu, L. Guo, R. Liu, L. Miao et al., Electronic “bridge” construction via Ag intercalation to diminish catalytic anisotropy for 2D tin diselenide cathode catalyst in lithium–oxygen batteries. Adv. Energy Mater. 12(27), 2200791 (2022). https://doi.org/10.1002/aenm.202200791
B. He, G. Li, J. Li, J. Wang, H. Tong et al., MoSe2@CNT core–shell nanostructures as grain promoters featuring a direct Li2O2 formation/decomposition catalytic capability in lithium-oxygen batteries. Adv. Energy Mater. 11(18), 2003263 (2021). https://doi.org/10.1002/aenm.202003263
G. Zhang, G. Li, J. Wang, H. Tong, J. Wang et al., 2D SnSe cathode catalyst featuring an efficient facet-dependent selective Li2O2 growth/decomposition for Li–oxygen batteries. Adv. Energy Mater. 12(21), 2103910 (2022). https://doi.org/10.1002/aenm.202103910
L. Guo, L. Tan, A. Xu, G. Li, G. Zhang et al., Highly efficient two-dimensional Ag2Te cathode catalyst featuring a layer structure derived catalytic anisotropy in lithium-oxygen batteries. Energy Storage Mater. 50, 96–104 (2022). https://doi.org/10.1016/j.ensm.2022.05.014
K. Song, J. Jung, M. Park, H. Park, H.-J. Kim et al., Anisotropic surface modulation of Pt catalysts for highly reversible Li–O2 batteries: high index facet as a critical descriptor. ACS Catal. 8(10), 9006–9015 (2018). https://doi.org/10.1021/acscatal.8b02172
Z. Wang, Q. Zhang, W. Liu, H. Luo, X. Kong et al., Synergistic Zn and MoS2 tailored Co−N/C environments enabling bifunctional ORR/OER electrocatalysis for advanced Li−O2 batteries. Angew. Chem. Int. Ed. 64(16), e202425502 (2025). https://doi.org/10.1002/anie.202425502
G. Cheng, W. Li, C. Liu, J. Gao, J.-L. Chen et al., A new catalytic merit for prediction catalytic potential of 2D materials in Li O2 batteries: theoretical investigation and experimental identification. J. Materiom. 11(6), 101060 (2025). https://doi.org/10.1016/j.jmat.2025.101060
G. Sun, F. Li, T. Wu, L. Cong, L. Sun et al., O2 adsorption associated with sulfur vacancies on MoS2 microspheres. Inorg. Chem. 58(3), 2169–2176 (2019). https://doi.org/10.1021/acs.inorgchem.8b03300
S. Zhang, Z. Huang, Z. Wen, L. Zhang, J. Jin et al., Local lattice distortion activate metastable metal sulfide as catalyst with stable full discharge–charge capability for Li–O2 batteries. Nano Lett. 17(6), 3518–3526 (2017). https://doi.org/10.1021/acs.nanolett.7b00603
X. Han, L. Zhao, Y. Liang, J. Wang, Y. Long et al., Interfacial electron redistribution on lattice-matching NiS2/NiSe2 homologous heterocages with dual-phase synergy to tune the formation routes of Li2O2. Adv. Energy Mater. 12(47), 2202747 (2022). https://doi.org/10.1002/aenm.202202747
P. Wang, D. Zhao, P. Zhang, X. Hui, Z. Zhang et al., P-block element modulated 1 T phase MoS2 with Ru lattice grafting for high-performance Li-O2 batteries. Nat. Commun. 16(1), 1453 (2025). https://doi.org/10.1038/s41467-024-55073-5
Q. Xia, L. Zhao, D. Li, J. Wang, L. Liu et al., Phase modulation of 1T/2H MoSe2 nanoflowers for highly efficient bifunctional electrocatalysis in rechargeable Li–O2 batteries. J. Mater. Chem. A 9(35), 19922–19931 (2021). https://doi.org/10.1039/D1TA03584C
X. Cao, Y. Zhang, C. Lu, K. Fang, L. Chen et al., Synergistic dual atomic sites with localized electronic modulation enable high-performance Lithium–Oxygen batteries. Chem. Eng. J. 466, 143351 (2023). https://doi.org/10.1016/j.cej.2023.143351
M. Song, H. Tan, X. Li, A.I.Y. Tok, P. Liang et al., Atomic-layer-deposited amorphous MoS2 for durable and flexible Li–O2 batteries. Small Meth. 4(6), 1900274 (2020). https://doi.org/10.1002/smtd.201900274
L. Wei, Y. Su, Y. Ma, Y. Gu, Y. Qin et al., Photoluminescent WSe2 nanofibers as freestanding cathode for Solar-assisted Li-O2 battery with ultrahigh capacity and transparent casing. Chem. Eng. J. 448, 137591 (2022). https://doi.org/10.1016/j.cej.2022.137591
L. Ren, M. Zheng, F. Kong, Z. Yu, N. Sun et al., Light enables the cathodic interface reaction reversibility in solid-state Lithium-Oxygen batteries. Angew. Chem. Int. Ed. Engl. 63(17), e202319529 (2024). https://doi.org/10.1002/anie.202319529
Y.-X. Yu, Effect of defects and solvents on Silicene cathode of nonaqueous Lithium–Oxygen batteries: a theoretical investigation. J. Phys. Chem. C 123(1), 205–213 (2019). https://doi.org/10.1021/acs.jpcc.8b10367
Y. Xiao, J. Wang, Y. Wang, W. Zhang, A new promising catalytic activity on blue Phosphorene Nitrogen-doped nanosheets for the ORR as cathode in nonaqueous Li–air batteries. Appl. Surf. Sci. 488, 620–628 (2019). https://doi.org/10.1016/j.apsusc.2019.05.280
Y. Ji, H. Dong, M. Yang, T. Hou, Y. Li, Monolayer Germanium monochalcogenides (GeS/GeSe) as cathode catalysts in nonaqueous Li–O2 batteries. Phys. Chem. Chem. Phys. 19(31), 20457–20462 (2017). https://doi.org/10.1039/C7CP04044J
W. Zhang, L. Sun, J.M.V. Nsanzimana, X. Wang, Lithiation/delithiation synthesis of few layer Silicene nanosheets for rechargeable Li–O2 batteries. Adv. Mater. 30(15), 1705523 (2018). https://doi.org/10.1002/adma.201705523
Y. Lin, L. Li, Z. Shi, L. Zhang, K. Li et al., Catalysis with two-dimensional metal-organic frameworks: synthesis, characterization, and modulation. Small 20(24), 2309841 (2024). https://doi.org/10.1002/smll.202309841
M. Yuan, R. Wang, W. Fu, L. Lin, Z. Sun et al., Ultrathin two-dimensional metal–organic framework nanosheets with the inherent open active sites as electrocatalysts in aprotic Li–O2 batteries. ACS Appl. Mater. Interfaces 11(12), 11403–11413 (2019). https://doi.org/10.1021/acsami.8b21808
Q. Lv, Z. Zhu, Y. Ni, J. Geng, F. Li, Spin-state manipulation of two-dimensional metal-organic framework with enhanced metal-oxygen covalency for lithium-oxygen batteries. Angew. Chem. Int. Ed. 61(8), e202114293 (2022). https://doi.org/10.1002/anie.202114293
Y. Tao, X. Fan, X. Yu, K. Gong, Y. Xia et al., Metal–organic framework with dual excitation pathways as efficient bifunctional catalyst for photo-assisted Li–O2 batteries. Small 20(46), 2403683 (2024). https://doi.org/10.1002/smll.202403683
L. Liu, H. Lian, H. Deng, W. Zhang, MXene-supported Ni-Co bimetallic MOF 2D lamellar membrane for enhanced electrochemical oxygen reactions and Li-O2 battery. Sci. Rep. 15(1), 13995 (2025). https://doi.org/10.1038/s41598-025-98982-1
J. Han, Y. Hao, M. Luo, Z. Xie, Z. Zhou, Recent advances in metal–organic frameworks for Li–O2 batteries: advantages, challenges, and innovative design. Mater. Horiz. 12(20), 8334–8350 (2025). https://doi.org/10.1039/D5MH00823A
N. Zhu, S. Wan, H. Shi, X. Lv, F. Song et al., Cation defective 2D NH2-MIL-125 enhances charge carrier dynamics for boosted photo-assisted lithium-oxygen batteries. Chem. Eng. J. 517, 164335 (2025). https://doi.org/10.1016/j.cej.2025.164335
Y. Min, H. Yuan, W. Wang, L. Xu, Design of heterostructures of MXene/two-dimensional organic frameworks for Na–O2 batteries with a new mechanism and a new descriptor. J. Phys. Chem. Lett. 12(11), 2742–2748 (2021). https://doi.org/10.1021/acs.jpclett.1c00482
X.-Z. Wang, Y. Chen, X.-M. Cao, R.-Y. Li, W.-Y. Chen et al., Ligand-insertion strategy for constructing 2D conjugated metal–organic framework with large pore size for electrochemical analytics. Angew. Chem. Int. Ed. 64(1), e202413115 (2025). https://doi.org/10.1002/anie.202413115
U. Das, K.C. Lau, P.C. Redfern, L.A. Curtiss, Structure and stability of lithium superoxide clusters and relevance to Li-O2 batteries. J. Phys. Chem. Lett. 5(5), 813–819 (2014). https://doi.org/10.1021/jz500084e
Y. Yang, W. Liu, N. Wu, X. Wang, T. Zhang et al., Tuning the morphology of Li2O2 by noble and 3d metals: a planar model electrode study for Li–O2 battery. ACS Appl. Mater. Interfaces 9(23), 19800–19806 (2017). https://doi.org/10.1021/acsami.7b02663
A. Khetan, A. Luntz, V. Viswanathan, Trade-offs in capacity and rechargeability in nonaqueous Li–O2 batteries: solution-driven growth versus nucleophilic stability. J. Phys. Chem. Lett. 6(7), 1254–1259 (2015). https://doi.org/10.1021/acs.jpclett.5b00324
D. Liu, Z. Fu, S. Wang, X. Gong, T. You et al., Machine learning-guided modulation of Li+ solvation structures towards optimal electrolyte systems for high-performance Li−O2 battery. Angew. Chem. 137(9), e202425277 (2025). https://doi.org/10.1002/ange.202425277
P. Zhang, Y. Yan, D. Legut, Y. Li, Z. Li et al., High-throughput design of active MXene catalysts for Li─O2 battery using machine learning. Adv. Funct. Mater. e32003 (2026). https://doi.org/10.1002/adfm.202532003
A. Kilic, D. Eroglu, R. Yildirim, Determining the key performance factors in lithium-oxygen batteries using machine learning. J. Electrochem. Soc. 168(9), 090544 (2021). https://doi.org/10.1149/1945-7111/ac2662
J. Wang, L. Ma, J. Xu, Y. Xu, K. Sun et al., Oxygen electrochemistry in Li-O2 batteries probed by in situ surface-enhanced Raman spectroscopy. SusMat 1(3), 345–358 (2021). https://doi.org/10.1002/sus2.24
S. Guan, W. Jia, Y. Gao, M. Liu, L. Wang et al., Dual-site geometry mediates dynamic LiO2 binding for efficient lithium-oxygen batteries. Angew. Chem. Int. Ed. 65(10), e23729 (2026). https://doi.org/10.1002/anie.202523729
K. Zhao, X. Jiang, X. Wu, H. Feng, X. Wang et al., Recent development and applications of differential electrochemical mass spectrometry in emerging energy conversion and storage solutions. Chem. Soc. Rev. 53(13), 6917–6959 (2024). https://doi.org/10.1039/D3CS00840A
G. Tang, J. Zhang, S. Ma, J. Li, Z. Peng et al., Unveiling gas production in rechargeable batteries via in situ differential electrochemical mass spectrometry. Chem. Soc. Rev. 54(15), 7216–7251 (2025). https://doi.org/10.1039/D5CS00276A
X. Liu, X. Song, Q. Zhang, X. Zhu, Q. Han et al., Decomposition pathway and stabilization of ether-based electrolytes in the discharge process of Li-O2 battery. J. Energy Chem. 69, 516–523 (2022). https://doi.org/10.1016/j.jechem.2022.01.007
C.J. Bondue, A.A. Abd-El-Latif, P. Hegemann, H. Baltruschat, Quantitative study for oxygen reduction and evolution in aprotic organic electrolytes at gas diffusion electrodes by DEMS. J. Electrochem. Soc. 162(3), A479–A487 (2015). https://doi.org/10.1149/2.0871503jes
S. Yao, S. Wang, Y. Liu, Z. Hou, J. Wang et al., High flux and stability of cationic intercalation in transition-metal oxides: unleashing the potential of Mn t2g orbital via enhanced π-donation. J. Am. Chem. Soc. 145(49), 26699–26710 (2023). https://doi.org/10.1021/jacs.3c08264
D. Zhang, P. Zhang, X. Xu, H. Cao, Z. Wang et al., Motivation of low-energy d orbital from an enhanced intermediate spin state in Fe-doped 2D monolayers boosting electrocatalysis of Li-O2 batteries. J. Energy Chem. 117, 12–21 (2026). https://doi.org/10.1016/j.jechem.2026.01.056
P. Tereshchuk, D. Golodnitsky, A. Natan, Trends in the adsorption of oxygen and Li2O2 on transition-metal carbide surfaces: a theoretical study. J. Phys. Chem. C 124(14), 7716–7724 (2020). https://doi.org/10.1021/acs.jpcc.9b10863
J. Lai, H. Liu, Y. Xing, L. Zhao, Y. Shang et al., Local strong solvation electrolyte trade-off between capacity and cycle life of Li-O2 batteries. Adv. Funct. Mater. 31(40), 2101831 (2021). https://doi.org/10.1002/adfm.202101831
W.-K. Shin, A.G. Kannan, D.-W. Kim, Effective suppression of dendritic lithium growth using an ultrathin coating of nitrogen and sulfur codoped graphene nanosheets on polymer separator for lithium metal batteries. ACS Appl. Mater. Interfaces 7(42), 23700–23707 (2015). https://doi.org/10.1021/acsami.5b07730
P. Li, Z. Liu, Y. Peng, S. Yang, T. Meng et al., Fast thermal responsive separators toward long-life and safe lithium metal batteries. Nano Res. 17(4), 2746–2754 (2024). https://doi.org/10.1007/s12274-023-6179-8
C. Li, S. Liu, C. Shi, G. Liang, Z. Lu et al., Two-dimensional molecular brush-functionalized porous bilayer composite separators toward ultrastable high-current density lithium metal anodes. Nat. Commun. 10(1), 1363 (2019). https://doi.org/10.1038/s41467-019-09211-z
E. Cha, M.D. Patel, J. Park, J. Hwang, V. Prasad et al., 2D MoS2 as an efficient protective layer for lithium metal anodes in high-performance Li-S batteries. Nat. Nanotechnol. 13(4), 337–344 (2018). https://doi.org/10.1038/s41565-018-0061-y
V. Vijayakumar, M. Ghosh, K. Asokan, S.B. Sukumaran, S. Kurungot et al., 2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries. Adv. Energy Mater. 13(15), 2203326 (2023). https://doi.org/10.1002/aenm.202203326
D. Han, X. Wang, Y.-N. Zhou, J. Zhang, Z. Liu et al., A graphene-coated thermal conductive separator to eliminate the dendrite-induced local hotspots for stable lithium cycling. Adv. Energy Mater. 12(25), 2201190 (2022). https://doi.org/10.1002/aenm.202201190
W. Luo, L. Zhou, K. Fu, Z. Yang, J. Wan et al., A thermally conductive separator for stable Li metal anodes. Nano Lett. 15(9), 6149–6154 (2015). https://doi.org/10.1021/acs.nanolett.5b02432
Y. Kim, D. Koo, S. Ha, S.C. Jung, T. Yim et al., Two-dimensional phosphorene-derived protective layers on a lithium metal anode for lithium-oxygen batteries. ACS Nano 12(5), 4419–4430 (2018). https://doi.org/10.1021/acsnano.8b00348
Q. Zhang, Z. Yang, X. Gu, Q. Chen, Q. Zhai et al., A functional SnS2-engineered separator for durable and practical lithium metal battery. Energy Storage Mater. 61, 102900 (2023). https://doi.org/10.1016/j.ensm.2023.102900
M. Ye, Y. Xiao, Z. Cheng, L. Cui, L. Jiang et al., A smart, anti-piercing and eliminating-dendrite lithium metal battery. Nano Energy 49, 403–410 (2018). https://doi.org/10.1016/j.nanoen.2018.04.078
C. Xiong, Z. Wang, X. Peng, Y. Guo, S. Xu et al., Bifunctional effect of laser-induced nucleation-preferable microchannels and in situ formed LiF SEI in MXenes for stable lithium-metal batteries. J. Mater. Chem. A 8(28), 14114–14125 (2020). https://doi.org/10.1039/D0TA04302H
N. Li, Y. Xie, S. Peng, X. Xiong, K. Han, Ultra-lightweight Ti3C2Tx MXene modified separator for Li–S batteries: thickness regulation enabled polysulfide inhibition and lithium ion transportation. J. Energy Chem. 42, 116–125 (2020). https://doi.org/10.1016/j.jechem.2019.06.014
P. Xiong, F. Zhang, X. Zhang, Y. Liu, Y. Wu et al., Atomic-scale regulation of anionic and cationic migration in alkali metal batteries. Nat. Commun. 12(1), 4184 (2021). https://doi.org/10.1038/s41467-021-24399-9
X. Duan, Precision chemistry for two-dimensional materials. Precis. Chem. 2(8), 376–379 (2024). https://doi.org/10.1021/prechem.4c00065
T. Yang, L.-J. Li, J. Zhao, T.H. Ly, Precision chemistry in two-dimensional materials: adding, removing, and replacing the atoms at will. Acc. Mater. Res. 2(10), 863–868 (2021). https://doi.org/10.1021/accountsmr.1c00172
D. Su, D. Han Seo, Y. Ju, Z. Han, K. Ostrikov et al., Ruthenium nanocrystal decorated vertical graphene nanosheets@Ni foam as highly efficient cathode catalysts for lithium-oxygen batteries. NPG Asia Mater. 8(7), e286 (2016). https://doi.org/10.1038/am.2016.91
G. Li, C. Dang, Y. Hou, F. Dang, Y. Fan et al., Experimental and theoretical characteristic of single atom co-N-C catalyst for Li-O2 batteries. Eng. Sci. 10, 85–94 (2020). https://doi.org/10.30919/es8d1005
X. Zhang, G. Zhang, R. Yang, D. Zhang, G. Lian et al., Lattice-dependent activation of highly efficient SnTe cathode catalyst for Li–air batteries. Energy Storage Mater. 69, 103392 (2024). https://doi.org/10.1016/j.ensm.2024.103392