Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper

Yifan Ye, Hao Yang, Jin Qian, Hongyang Su, Kyung-Jae Lee, Tao Cheng, Hai Xiao, Junko Yano (), William A. Goddard () and Ethan J. Crumlin ()
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Yifan Ye: Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory
Hao Yang: Materials and Process Simulation Center, California Institute of Technology
Jin Qian: Materials and Process Simulation Center, California Institute of Technology
Hongyang Su: Advanced Light Source, Lawrence Berkeley National Laboratory
Kyung-Jae Lee: Advanced Light Source, Lawrence Berkeley National Laboratory
Tao Cheng: Materials and Process Simulation Center, California Institute of Technology
Hai Xiao: Materials and Process Simulation Center, California Institute of Technology
Junko Yano: Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory
William A. Goddard: Materials and Process Simulation Center, California Institute of Technology
Ethan J. Crumlin: Advanced Light Source, Lawrence Berkeley National Laboratory

Nature Communications, 2019, vol. 10, issue 1, 1-9

Abstract: Abstract Converting carbon dioxide (CO2) into liquid fuels and synthesis gas is a world-wide priority. But there is no experimental information on the initial atomic level events for CO2 electroreduction on the metal catalysts to provide the basis for developing improved catalysts. Here we combine ambient pressure X-ray photoelectron spectroscopy with quantum mechanics to examine the processes as Ag is exposed to CO2 both alone and in the presence of H2O at 298 K. We find that CO2 reacts with surface O on Ag to form a chemisorbed species (O = CO2δ−). Adding H2O and CO2 then leads to up to four water attaching on O = CO2δ− and two water attaching on chemisorbed (b-)CO2. On Ag we find a much more favorable mechanism involving the O = CO2δ− compared to that involving b-CO2 on Cu. Each metal surface modifies the gas-catalyst interactions, providing a basis for tuning CO2 adsorption behavior to facilitate selective product formations.

Date: 2019
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DOI: 10.1038/s41467-019-09846-y

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