Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles

Alfonso, Dominic R.; Kauffman, Douglas R.

doi:10.1557/mrc.2017.67

Title: Assessment of trends in the electrochemical CO₂ reduction and H₂ evolution reactions on metal nanoparticles

Journal Article · Mon Aug 14 00:00:00 EDT 2017 · MRS Communications

DOI:https://doi.org/10.1557/mrc.2017.67· OSTI ID:1410435

Alfonso, Dominic R. ^[1]; Kauffman, Douglas R. ^[1]

National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

Here, we used density functional theory to investigate the electrochemical CO₂ reduction and competing hydrogen evolution reaction on model Au, Ag, Cu, Ir, Ni, Pd, Pt, and Rh nanoparticles. On the coinage metal, the free energy of adsorbed COOH, CO, and H intermediates generally becomes more favorable with decreasing particle size. This pattern was also observed on all transition metals with the binding of the intermediates observed to be stronger on almost all of these metals. Comparative studies of the reaction profile reveal that H₂ evolution is the first reaction to be energetically allowed at zero applied bias

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Research Organization:: National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

Sponsoring Organization:: USDOE

OSTI ID:: 1410435

Report Number(s):: NETL-PUB-21253; applab; PII: S2159685917000672; TRN: US1800109

Journal Information:: MRS Communications, Vol. 7, Issue 03; ISSN 2159-6859

Publisher:: Materials Research Society - Cambridge University PressCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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