Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles
Abstract
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
- Authors:
-
- National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
- Publication Date:
- Research Org.:
- National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1410435
- Report Number(s):
- NETL-PUB-21253
Journal ID: ISSN 2159-6859; applab; PII: S2159685917000672; TRN: US1800109
- Resource Type:
- Accepted Manuscript
- Journal Name:
- MRS Communications
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 03; Journal ID: ISSN 2159-6859
- Publisher:
- Materials Research Society - Cambridge University Press
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY; CO2 conversion; metal nanoparticles
Citation Formats
Alfonso, Dominic R., and Kauffman, Douglas R. Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles. United States: N. p., 2017.
Web. doi:10.1557/mrc.2017.67.
Alfonso, Dominic R., & Kauffman, Douglas R. Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles. United States. https://doi.org/10.1557/mrc.2017.67
Alfonso, Dominic R., and Kauffman, Douglas R. Mon .
"Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles". United States. https://doi.org/10.1557/mrc.2017.67. https://www.osti.gov/servlets/purl/1410435.
@article{osti_1410435,
title = {Assessment of trends in the electrochemical CO2 reduction and H2 evolution reactions on metal nanoparticles},
author = {Alfonso, Dominic R. and Kauffman, Douglas R.},
abstractNote = {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},
doi = {10.1557/mrc.2017.67},
journal = {MRS Communications},
number = 03,
volume = 7,
place = {United States},
year = {Mon Aug 14 00:00:00 EDT 2017},
month = {Mon Aug 14 00:00:00 EDT 2017}
}
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