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Selective CO 2 Electroreduction to Ethanol over a Carbon-Coated CuO x Catalyst.

Yipeng ZangTianfu LiuPengfei WeiHefei LiQi WangGuoxiong WangXinhe Bao
Published in: Angewandte Chemie (International ed. in English) (2022)
The design of efficient copper(Cu)-based catalysts is critical for CO 2 electroreduction into multiple carbon products. However, most Cu-based catalysts are favorable for ethylene production while selective production of ethanol with high Faradaic efficiency and current density still remains a great challenge. Herein, we design a carbon-coated CuO x (CuO x @C) catalyst through one-pot pyrolysis of Cu-based metal-organic framework (MOF), which exhibits high selectivity for CO 2 electroreduction to ethanol with Faradaic efficiency of 46 %. Impressively, the partial current density of ethanol reaches 166 mA cm -2 , which is higher than that of most reported catalysts. Operando Raman spectra indicate that the carbon coating can efficiently stabilize Cu + species under CO 2 electroreduction conditions, which promotes the C-C coupling step. Density functional theory (DFT) calculations reveal that the carbon layer can tune the key intermediate *HOCCH goes the hydrogenation pathway toward ethanol production.
Keyphrases
  • metal organic framework
  • density functional theory
  • molecular dynamics
  • highly efficient
  • room temperature
  • gene expression
  • genome wide