Electrochemical CO2 Reduction to C1 Products on Single Nickel/Cobalt/Iron‐Doped Graphitic Carbon Nitride: A DFT Study

Electrocatalytic CO2 reduction reaction (CRR) is one of the most promising strategies to convert greenhouse gases to energy sources. Herein, the CRR was applied towards making C1 products (CO, HCOOH, CH3OH, and CH4) on g‐C3N4 frameworks with single Ni, Co, and Fe introduction; this process was inves...

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Veröffentlicht in:	ChemSusChem 2019-12, Vol.12 (23), p.5126-5132
Hauptverfasser:	Guo, Chen, Zhang, Tian, Deng, Xiangxuan, Liang, Xiongyi, Guo, Wenyue, Lu, Xiaoqing, Wu, Chi‐Man Lawrence
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption C1 products Carbon dioxide Carbon nitride Chemical reduction CO2 reduction Cobalt Configurations Constraining Density functional theory electrocatalysis Electrocatalysts g-C3N4 Greenhouse effect Greenhouse gases Iron Nickel Organic chemistry Protonation Selectivity
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