Nano-Micro Letters

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

H. Khalifa1,  S.A. El-Safty1, *,  A. Reda1,  M.A. Shenashen1,  M.M. Selim2, A. Elmarakbi3, H.A. Metawa4

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Nano-Micro Lett. (2019) 11: 84

First Online: 10 October 2019 (Article)


*Corresponding author. E-mail: (S.A. El-Safty)





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.



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

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