Citation

Yeoh, K. H. and Chew, Khian Hooi and Chu, Y. Z. and Yoon, Tiem Leong and Rusi, Rusi and Ong, Duu Sheng (2019) First-principles study of monolayer Be2C as an anode material for lithium-ion batteries. Journal of Applied Physics, 126 (12). p. 125302. ISSN 0021-8979

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Abstract

In this work, the feasibility of a monolayer Be2C as the anode material for lithium-ion battery (LiB) was investigated using the density functional theory. Our study reveals that the adsorption of Li atoms changes the electronic conductivity of a monolayer Be2C from semiconducting to metallic. This resulted in a low Li diffusion barrier of 0.11 eV, which is highly needed for the fast charge and discharge processes of the LiB. Additionally, the predicted open-circuit voltage was 0.33 V, and the calculated maximum theoretical capacity was impressively high (1785 mAh/g). Our findings suggest that the monolayer Be2C is a promising anode material for high-performance LiB.

Item Type:	Article
Uncontrolled Keywords:	Lithium
Subjects:	T Technology > TK Electrical engineering. Electronics Nuclear engineering > TK2896-2985 Production of electricity by direct energy conversion
Divisions:	Faculty of Engineering (FOE)
Depositing User:	Ms Rosnani Abd Wahab
Date Deposited:	08 May 2021 12:57
Last Modified:	08 May 2021 16:14
URII:	http://shdl.mmu.edu.my/id/eprint/8680

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