Identification of CO2 as a Reactive Reagent for C-C Bond Formation via Copper-Catalyzed Electrochemical Reduction

Wen Yu Lin, Zong Xian Chen, Haocheng Xiong, Hsien Chin Li, Yeu Shiuan Ho, Chi Tien Hsieh, Qi Lu, Mu Jeng Cheng

研究成果: Article同行評審

2 引文 斯高帕斯(Scopus)

摘要

The electrochemical reduction of CO2 (CO2ER) holds great promise as a method to achieve carbon neutrality and revolutionize the utilization of fossil fuels. Advanced catalysts used in CO2ER have demonstrated the ability to generate valuable multi-carbon products through the formation of carbon-carbon (C-C) bonds. Previous research has predominantly focused on C-C formation by dimerizing *CO or coupling *CO with other *C1 intermediates. However, the potential coupling of CO2 with *C1 intermediates has not been explored experimentally or theoretically despite CO2 being the exclusive reactant in CO2ER and having a high concentration. This study employed DFT calculations and a constant electrode potential model to investigate the possibility of CO2 + *C1 couplings on Cu(100) surfaces. Surprisingly, the results indicate that CO2 can serve as a favorable reagent for C-C bond formation, surpassing the reactivity of *CO under alkaline conditions. The enhanced reactivity of CO2 compared to that of *CO was elucidated based on a barrier decomposition analysis. Experimental validation was conducted to confirm these theoretical results.

原文English
頁(從 - 到)11697-11710
頁數14
期刊ACS Catalysis
13
發行號17
DOIs
出版狀態Published - 2023 9月 1

All Science Journal Classification (ASJC) codes

  • 催化
  • 一般化學

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