Valence state of transition metal center as an activity descriptor for CO2 reduction on single atom catalysts

Shisheng Zheng,Changjian Zuo,Xianhui Liang,Shunning Li,Feng Pan

Journal of Energy Chemistry（2021）

引用 19|浏览15

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摘要

We found three excellent CO2 conversion single-atom catalysts and a simple but effective descriptor to describe the trend in catalytic activity by first principle calculations.

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关键词

CO2 conversion,MXene based single-atom catalysts,Activity descriptor,Volcano shape relationship,First principles calculation

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