Electrochemical reduction of carbon dioxide on precise number of Fe atoms anchored graphdiyne

Tianwei He,Lei Zhang,Gurpreet Kour,Aijun Du

Journal of CO2 Utilization（2020）

引用 74|浏览2

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摘要

•The CO2RR on precise number of Fe atoms is systematically investigated.•Fe dimer and Fe trimer exhibit the highest catalytic performance toward CO2-to−CH4 and CO2-to−HCOOH conversion, respectively.•The catalytic activity and selectivity can be significantly tuned by controlling the number of Fe atoms.

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关键词

Precise number atoms,CO2RR,Graphdiyne,Density functional theory,Activity and selectivity

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