Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects

López, M; Exner, KS; Viñes, F; Illas, F

Viñes, F (通讯作者)，Univ Barcelona, Dept Ciencia Mat & Quim Fis, C Marti i Franques 1-11, Barcelona 08028, Spain.;Viñes, F (通讯作者)，Univ Barcelona, Inst Quim Teor & Computac IQTCUB, C Marti i Franques 1-11, Barcelona 08028, Spain.;Exner, KS (通讯作者)，Univ Duisburg Essen, Fac Chem, Theoret Inorgan Chem, Univ Str 5, D-45141 Essen, Germany.;Exner, KS (通讯作者)，Cluster Excellence RESOLV, Bochum, Germany.;Exner, KS (通讯作者)，Ctr Nanointegrat CENIDE Duisburg Essen, Duisburg, Germany.

JOURNAL OF CATALYSIS, 2023; 421 (): 252

Abstract

Both experimentally and theoretically, the MXene family has shown promising hydrogen evolution reaction (HER) capabilities. However, so far, the theor......

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