Computational screening the potentials of TiVC MXenes monolayer as anode material for sodium-ion batteries
Konferenz: EMIE 2022 - The 2nd International Conference on Electronic Materials and Information Engineering
15.04.2022 - 17.04.2022 in Hangzhou, China
Tagungsband: EMIE 2022
Seiten: 5Sprache: EnglischTyp: PDF
Autoren:
Wang, Guoqing; Luo, Xiaoyan (School of Mechanical and Electrical Engineering, University of Electronic Science and Technology of China, Chengdu, China)
Shi, Jing (Department of Physics, Jiangxi Normal University, Nanchang, China)
Lin, Bin (School of Mechanical and Electrical Engineering, University of Electronic Science and Technology of China, Chengdu, China & Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou, China)
Inhalt:
The phonon spectrum, electronic structure properties and Na diffusion coefficient of the TiVC MXenes monolayer, a candidate material for SIBs, were calculated by first-principles method. Results showed that the TiVC MXenes monolayer has structural stability and presents a metallic state. In addition, the energy barrier of the Na(exp +) on TiVC surface is 2.7 meV, and that the tensile strain is conducive to Na diffusion on the TiVC MXenes monolayer. Our work show that TiVC MXenes is a potentially better anode for SIBs.