[P] P115~P131

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

*Choi Jiwoo¹、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)

キーワード：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.