First-principles study of monolayer Be2C as an anode material for lithium-ion batteries

• Main Authors: Yeoh, Keat Hoe, Chew, Khian Hooi, Chu, Y.Z., Yoon, T.L., Rusi, -, Ong, D.S.
• 格式: Article
• 出版: AIP Publishing 2019
• 主题: Q Science (General); QC Physics
• 在线阅读: http://eprints.um.edu.my/22968/; https://doi.org/10.1063/1.5110225

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...