The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110)
Abstract
We study the electrochemical interface between rutile IrO 2 (110) and water to investigate how the inclusion of an explicit solvent influences the stabilities of adsorbed intermediates in the oxygen evolution reaction. Solvent is modeled by explicit nondissociated water molecules, and their structure is determined by a global optimization method. We find that the inclusion of an explicit solvent can significantly affect the geometry of adsorbed intermediates, changing from an interaction with the surface to an interaction with the water bilayer. These water structures consist of stacked octagonal sheets in an ordered network. Solvent stabilization is pronounced for adsorbed *OH and *OOH, which are capable of donating hydrogen bonds. We find little to no change in adsorbate binding energy as the number of layers of solvent is increased from 1 to 3, suggesting a single water bilayer is sufficient to describe the system. With either *O or *OH coadsorbates, the energetics of the reaction pathway are relatively unchanged with the inclusion of explicit solvent.
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Cites
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Self-citationBenchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction
McCrory, C. C. L., Jung, S., Peters, J. C., & Jaramillo, T. F. (2013) · Journal of the American Chemical Society · doi:10.1021/ja407115p · Cited by 7,026
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769
Self-citationMcCrory, C. C. L., Jung, S., Ferrer, I. M., Chatman, S. M., Peters, J. C., & Jaramillo, T. F. (2015) · Journal of the American Chemical Society · doi:10.1021/ja510442p · Cited by 4,145
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Self-citationThe nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts
Cheng, D., Zhao, Z.-J., Zhang, G., Yang, P., Li, L., Gao, H., Liu, S., Chang, X., Chen, S., Wang, T., et al. (2021) · Nature Communications · doi:10.1038/s41467-020-20615-0 · Cited by 325
ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide
Kelly, S. R., Shi, X., Back, S., Vallez, L., Park, S. Y., Siahrostami, S., Zheng, X., & Nørskov, J. K. (2019) · ACS Catalysis · doi:10.1021/acscatal.8b04873 · Cited by 298
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Metadata
- Authors
- Gauthier, J. A., Dickens, C. F., Chen, L. D., Doyle, A. D., & Nørskov, J. K.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-05-17
- Volume
- 121
- Issue
- 21
- Pages
- 11455-11463
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2613049323
- Cited by
- 240
- References
- 4
- FWCI
- 5.62
- Type
- journal article
- Language
- en
- Open access
- closed
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