Oxygen-induced changes to selectivity-determining steps in electrocatalytic CO reduction
Physical Chemistry Chemical Physics, ISSN: 1463-9076, Vol: 17, Issue: 6, Page: 4505-4515
2015
- 52Citations
- 94Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Metrics Details
- Citations52
- Citation Indexes52
- 52
- CrossRef43
- Captures94
- Readers94
- 94
Article Description
The state of the electrocatalyst surface - including the oxidation state of the catalyst and the presence of spectator species - is investigated on Cu surfaces with density functional theory in order to understand predicted ramifications on the selectivity and efficiency of CO reduction. We examined the presence of oxygen-based species, including the fully oxidized CuO surface, the partially oxidized Cu(110)-(2 × 1)O surface, and the presence of OH spectators. The relative oxygen binding strength among these surfaces can help to explain the experimentally observed selectivity change between CH and CHOH on these electrodes; this suggests that the oxygen-binding strength may be a key parameter which predicts the thermodynamically preferred selectivity for pathways proceeding through a methoxy (CHO) intermediate. This study shows the importance of the local surface environment in the product selectivity of electrocatalysis, and suggests a simple descriptor that can aid in the design of improved electrocatalytic materials. This journal is
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84949117552&origin=inward; http://dx.doi.org/10.1039/c4cp03783a; http://www.ncbi.nlm.nih.gov/pubmed/25582895; https://xlink.rsc.org/?DOI=C4CP03783A; http://xlink.rsc.org/?DOI=C4CP03783A; http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP03783A; https://dx.doi.org/10.1039/c4cp03783a; https://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp03783a
Royal Society of Chemistry (RSC)
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