articleJournal of the American Chemical SocietyApr 24, 2023Closed access

Improving CO 2 -to-C 2+ Product Electroreduction Efficiency via Atomic Lanthanide Dopant-Induced Tensile-Strained CuO x Catalysts

JFJiaqi FengLWLimin WuSLShoujie LiuLXLiang XuXSXinning Song

Chinese Academy of Sciences · Beijing National Laboratory for Molecular Sciences · +4 more institutions

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Abstract

Cu is a promising electrocatalyst in CO2 reduction reaction (CO2RR) to high-value C2+ products. However, as important C–C coupling active sites, the Cu+ species is usually unstable under reduction conditions. How atomic dopants affect the performance of Cu-based catalysts is interesting to be studied. Herein, we first calculated the difference between the thermodynamic limiting potentials of CO2RR and the hydrogen evolution reaction, as well as the *CO binding energy over Cu2O doped with different metals, and the results indicated that doping atomic Gd into Cu2O could improve the performance of the catalyst effectively. On the basis of the theoretical study, we designed Gd1/CuOx catalysts. The distinctive…

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Topics & keywords

Topics
Keywords
  • Catalysis
  • Chemistry
  • Dopant
  • Electrocatalyst
  • Lanthanide
  • Hydrogen
  • Doping
  • Redox
UN Sustainable Development Goals
  • Affordable and clean energy
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