Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 119, Issue 34, Pages 20023-20029Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b07268
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Funding
- SUNCAT Industrial Affiliates Program
- Air Force Office of Scientific Research through the MURI program [FA9550-10-1-0572]
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Imidazolium ionic liquid additives improve the activity and selectivity for electrochemical CO2 reduction reaction on a variety of catalyst materials. To date, there is no consensus about the mechanism by which it does so. As a first step, we determined the Pourbaix diagram for EMIM+ at the Ag(111)vertical bar water interface using density functional theory calculations. The obtained surface Pourbaix diagram shows that adsorbed EMIM+ densely covers the entire silver surface under experimental conditions; we suggest this has important implications for CO2 reduction.
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