[P] P115~P131

2:00 PM - 3:30 PM JST(5:00 AM - 6:30 AM UTC)

[P131] Functionalized M₂CT_X (M=Sc, Ti, V, Cr, and Mn) sheet as an electrode material for lithium-ion battery via ab initio calculation

*Jiwoo Choi¹, Hyokyeong kim¹, Inseong Bae¹, Hayoung Son¹, Jiwoong Kim^1,2 (1. Department of Materials Science and Engineering, Soongsil University, Seoul 06978, Republic of Korea, 2. Department of Green Chemistry and Materials Engineering, Soongsil University, Seoul 06978, Republic of Korea)

Keywords:

lithium-ion batteries,anode,ab initio calculations,MXene,MAX phase

Ab initio calculations were used to explore the suitability of functionalized MXene M₂CTX (M = Sc, Ti, V, Cr, and Mn; T_X = Cl, Br, S, Se, O, and Te) as electrode materials.