Theoretical Approach toward Optimum Anion-Doping on MXene Catalysts for Hydrogen Evolution Reaction: an Ab Initio Thermodynamics Study.

Nam, Hyunjun; Sim, Eun Seob; Je, Minyeong; Choi, Heechae; Chung, Yong-Chae.

Afiliação

Nam H; Division of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, Republic of Korea.
Sim ES; Division of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, Republic of Korea.
Je M; Theoretical Materials & Chemistry Group, Institute of Inorganic Chemistry, University of Cologne, Greinstr. 6, Cologne 50939, Germany.
Choi H; Theoretical Materials & Chemistry Group, Institute of Inorganic Chemistry, University of Cologne, Greinstr. 6, Cologne 50939, Germany.
Chung YC; Division of Materials Science and Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, Republic of Korea.

ACS Appl Mater Interfaces ; 13(31): 37035-37043, 2021 Aug 11.

Article em En | MEDLINE | ID: mdl-34313433