TY - JOUR AU - Khalifa, H. AU - El‑Safty, S. A. AU - Reda, A. AU - Shenashen, M. A. AU - Selim, M. M. AU - Elmarakbi, A. AU - Metawa, H. A. PY - 2019/10/10 Y2 - 2024/03/29 TI - Theoretical and Experimental Sets of Choice Anode/Cathode Architectonics for High-Performance Full-Scale LIB Built-up Models JF - Nano-Micro Letters JA - Nano-Micro Lett VL - 11 IS - SE - Articles DO - 10.1007/s40820-019-0315-8 UR - https://www.nmlett.org/index.php/nml/article/view/154 SP - 84 AB - <p>To control the power hierarchy design of lithium-ion battery (LIB) built-up sets for electric vehicles (EVs), we offer intensive theoretical and experimental sets of choice anode/cathode architectonics that can be modulated in full-scale LIB built-up models. As primary structural tectonics, heterogeneous composite superstructures of full-cell-LIB (anode//cathode) electrodes were designed in closely packed flower agave rosettes TiO<sub>2</sub>@C (FRTO@C anode) and vertical-star-tower LiFePO<sub>4</sub>@C (VST@C cathode) building blocks to regulate the electron/ion movement in the three-dimensional axes and orientation pathways. The superpower hierarchy surfaces and multi-directional orientation components may create isosurface potential electrodes with mobile electron movements, in-to-out interplay electron dominances, and electron/charge cloud distributions. This study is the first to evaluate the hotkeys of choice anode/cathode architectonics to assemble different LIB–electrode platforms with high-mobility electron/ion flows and high-performance capacity functionalities. Density functional theory calculation revealed that the FRTO@C anode and VST-(i)@C cathode architectonics are a superior choice for the configuration of full-scale LIB built-up models. The integrated FRTO@C//VST-(i)@C full-scale LIB retains a huge discharge capacity (~ 94.2%), an average Coulombic efficiency of 99.85% after 2000 cycles at 1&nbsp;C, and a high energy density of 127&nbsp;Wh&nbsp;kg<sup>−1</sup>, thereby satisfying scale-up commercial EV requirements.</p><p>Highlights:</p><p>1 Modulation of 3D super-scalable hierarchal anode/cathode models as choice architectonics into a full-scale LIB design.<br>2 The scalable architectures dynamically provide effective diffusion gateways to guarantee excellent specific LIB performance.<br>3 The DFT theoretical surface–surface electronic and charge map analyses confirmed the superiority of choice anode/cathode architectonics in full-scale LIB built-up models.</p> ER -