Structure Sensitivity and Catalyst Restructuring for CO2 Electro-reduction on Copper
University of California, Los Angeles · Fritz Haber Institute of the Max Planck Society · +2 more institutions
Abstract
Abstract Cu is the most promising metal catalyst for CO 2 electroreduction (CO 2 RR) to multi-carbon products, yet the structure sensitivity of the reaction and the stability versus restructuring of the catalyst surface under reaction conditions remain controversial. Here, atomic scale simulations of surface energies and reaction pathway kinetics supported by experimental evidence unveil that CO 2 RR does not take place on perfect planar Cu(111) and Cu(100) surfaces but rather on steps or kinks. These planar surfaces tend to restructure in reaction conditions to the active stepped surfaces, with the strong binding of CO on defective sites acting as a thermodynamic driving force. Notably, we identify that the…
Citation impact
- FWCI
- 21.53
- Percentile
- 100%
- References
- 64
Authors
12- DCDongfang ChengCorresponding
University of California, Los Angeles
- KCKhanh‐Ly C. Nguyen
Fritz Haber Institute of the Max Planck Society
- VSVaidish Sumaria
University of California, Los Angeles
- ZWZiyang Wei
University of California, Los Angeles, Princeton University
- ZZZisheng Zhang
University of California, Los Angeles
Topics & keywords
- Restructuring
- Copper
- Sensitivity (control systems)
- Reduction (mathematics)
- Catalysis
- Materials science
- Chemistry
- Business
Funding
- NSNational Science FoundationAwards: 2103116, ACI-1548562, -1548562, 1548562, DE-AC02-06CH11357
- UDU.S. Department of EnergyAwards: AC02-06CH11357, DE-AC02, ACI-1548562, 06CH11357, DE-AC02-06CH11357, DE-AC02-
- BFBundesministerium für Bildung und ForschungAward: 03EW0015B
- OOOffice of ScienceAwards: DE-AC02-06CH11357, ACI-1548562, DE-AC02, 06CH11357, AC02-06CH11357
- DODivision of Chemical, Bioengineering, Environmental, and Transport SystemsAward: 2103116
- ANArgonne National LaboratoryAwards: DE-AC02, 06CH11357, AC02-06CH11357