Electric Field Effects in Electrochemical CO 2 Reduction
Interface (United States) · Stanford University · +2 more institutions
Abstract
Electrochemical reduction of CO2 has the potential to reduce greenhouse gas emissions while providing energy storage and producing chemical feedstocks. A mechanistic understanding of the process is crucial to the discovery of efficient catalysts, and an atomistic description of the electrochemical interface is a major challenge due to its complexity. Here, we examine the CO2 → CO electrocatalytic pathway on Ag(111) using density functional theory (DFT) calculations and an explicit model of the electrochemical interface. We show that the electric field from solvated cations in the double layer and their corresponding image charges on the metal surface significantly stabilizes key intermediates—*CO2 and *COOH.…
Citation impact
- FWCI
- 12.83
- Percentile
- 100%
- References
- 64
Authors
4- LDLeanne D. ChenCorresponding
Interface (United States), Stanford University, SLAC National Accelerator Laboratory
- MUMakoto Urushihara
Mitsubishi Materials (Japan), Interface (United States), Stanford University
- KCKaren Chan
Interface (United States), SLAC National Accelerator Laboratory, Stanford University
- JKJens K. Nørskov
Stanford University, Interface (United States), SLAC National Accelerator Laboratory
Topics & keywords
- Density functional theory
- Electrochemistry
- Ab initio
- Chemistry
- Polarization (electrochemistry)
- Catalysis
- Electric field
- Chemical physics
- Affordable and clean energy
Funding
- UDU.S. Department of EnergyAwards: -AC02-05CH11231, 76SF00515, 05CH11231, DE-SC0004993, AC02-05CH11231, DE-AC02, DE-AC02-05CH11231, AC02-76SF00515, SC0004993, DE-AC02-
- OOOffice of ScienceAwards: AC02-76SF00515, DE-AC02-76SF00515, DE-SC0004993, AC02-05CH11231, -AC02-05CH11231, DE-AC02, 76SF00515
- NSNatural Sciences and Engineering Research Council of CanadaAwards: CGS-D3, DE-AC02-05CH11231
- BEBasic Energy SciencesAwards: DE-AC02, DE-SC0004993, AC02-05CH11231, DE-AC02-76SF00515, DE-AC02-05CH11231, 76SF00515, AC02-76SF00515, -AC02-05CH11231