Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces

Makoto Urushihara, Karen Chan, Chuan Shi, Jens K. Nørskov*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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)|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. (Graph Presented).

Original languageEnglish
JournalJournal of Physical Chemistry C
Volume119
Issue number34
Pages (from-to)20023-20029
Number of pages7
ISSN1932-7447
DOIs
Publication statusPublished - 2015
Externally publishedYes

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