Theoretical and Experimental Sets of Choice Anode/Cathode Architectonics for High-Performance Full-Scale LIB Built-up Models

H Khalifa; S A El-Safty; A Reda; M A Shenashen; M M Selim; A Elmarakbi; H A Metawa

doi:10.1007/s40820-019-0315-8

Theoretical and Experimental Sets of Choice Anode/Cathode Architectonics for High-Performance Full-Scale LIB Built-up Models

Nanomicro Lett. 2019 Oct 10;11(1):84. doi: 10.1007/s40820-019-0315-8.

Authors

H Khalifa^{1

2}, S A El-Safty³, A Reda¹, M A Shenashen¹, M M Selim⁴, A Elmarakbi⁵, H A Metawa²

Affiliations

¹ National Institute for Materials Science (NIMS), Sengen 1-2-1, Tsukuba, Ibaraki, 305-0047, Japan.
² Department of Physics, Faculty of Science, Damanhur University, Damanhur, Egypt.
³ National Institute for Materials Science (NIMS), Sengen 1-2-1, Tsukuba, Ibaraki, 305-0047, Japan. sherif.elsafty@nims.go.jp.
⁴ Department of Mathematics, Al-Aflaj College of Science and Human Studies, Prince Sattam Bin Abdulaziz University, Al-Aflaj, 710-11912, Saudi Arabia.
⁵ Department of Mechanical and Construction Engineering, Faculty of Engineering and Environment, Northumbria University, Newcastle upon Tyne, NE1 8ST, UK.

Abstract

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 TiO₂@C (FRTO@C anode) and vertical-star-tower LiFePO₄@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 C, and a high energy density of 127 Wh kg^-1, thereby satisfying scale-up commercial EV requirements.

Keywords: 3D super-scalable hierarchal anode/cathode models; Anode/cathode architectonics; Density functional theory; Electric vehicle applications; Lithium-ion battery.