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The Functionality of Surface Hydroxy Groups on the Selectivity and Activity of Carbon Dioxide Reduction over Cuprous Oxide in Aqueous Solutions.
- Source :
- Angewandte Chemie International Edition; 6/25/2018, Vol. 57 Issue 26, p7724-7728, 5p
- Publication Year :
- 2018
-
Abstract
- Abstract: Carbon dioxide (CO<subscript>2</subscript>) reduction in aqueous solutions is an attractive strategy for carbon capture and utilization. Cuprous oxide (Cu<subscript>2</subscript>O) is a promising catalyst for CO<subscript>2</subscript> reduction as it can convert CO<subscript>2</subscript> into valuable hydrocarbons and suppress the side hydrogen evolution reaction (HER). However, the nature of the active sites in Cu<subscript>2</subscript>O remains under debate because of the complex surface structure of Cu<subscript>2</subscript>O under reducing conditions, leading to limited guidance in designing improved Cu<subscript>2</subscript>O catalysts. This paper describes the functionality of surface‐bonded hydroxy groups on partially reduced Cu<subscript>2</subscript>O(111) for the CO<subscript>2</subscript> reduction reaction (CO<subscript>2</subscript>RR) by combined density functional theory (DFT) calculations and experimental studies. We find that the surface hydroxy groups play a crucial role in the CO<subscript>2</subscript>RR and HER, and a moderate coverage of hydroxy groups is optimal for promotion of the CO<subscript>2</subscript>RR and suppression of the HER simultaneously. Electronic structure analysis indicates that the charge transfer from hydroxy groups to coordination‐unsaturated Cu (Cu<subscript>CUS</subscript>) sites stabilizes surface‐adsorbed COOH*, which is a key intermediate during the CO<subscript>2</subscript>RR. Moreover, the CO<subscript>2</subscript>RR was evaluated over Cu<subscript>2</subscript>O octahedral catalysts with {111} facets and different surface coverages of hydroxy groups, which demonstrates that Cu<subscript>2</subscript>O octahedra with moderate coverage of hydroxy groups can indeed enhance the CO<subscript>2</subscript>RR and suppress the HER. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14337851
- Volume :
- 57
- Issue :
- 26
- Database :
- Complementary Index
- Journal :
- Angewandte Chemie International Edition
- Publication Type :
- Academic Journal
- Accession number :
- 130266481
- Full Text :
- https://doi.org/10.1002/anie.201801463