C2H2 semi-hydrogenation over N-doped graphene supported diatomic metal catalysts: Unraveling the roles of metal type and its coordination environment in tuning catalytic performance

APPLIED SURFACE SCIENCE(2023)

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摘要
•Metal type and coordination environment of DACs effectively tune catalytic performance of C2H2 semi-hydrogenation.•High Bader charge transfer amount and moderate d-band center of DACs exhibit high C2H4 selectivity and formation activity.•The established descriptor φ over DACs can better describe C2H4 selectivity.•CoCu, CoPd, CoNi and CoPt anchored over N6V4-П exhibit better C2H4 selectivity, formation activity, and stability.
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关键词
Diatomic metal catalysts,Coordination environment,Metal atom type,C2H2 semi-hydrogenation,Catalytic performance
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