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Cyclic Voltammograms for H on Pt(111) and Pt(100) from First Principles
Open accessAbstract
Cyclic voltammetry is a fundamental experimental method for characterizing electrochemical surfaces. Despite its wide use, a way to quantitatively and directly relate cyclic voltammetry to ab initio calculations has been lacking. We derive the cyclic voltammogram for H on Pt(111) and Pt(100), based solely on density functional theory calculations and standard molecular tables. By relating the gas phase adsorption energy to the electrochemical electrode potential, we provide a direct link between surface science and electrochemistry.
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Citations
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
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Cited by
Progress and perspectives of electrochemical CO2 reduction on copper in aqueous electrolyte
Nitopi, S., Bertheussen, E., Scott, S. B., Liu, X., Engstfeld, A. K., Horch, S., Seger, B., Stephens, I. E. L., Chan, K., Hahn, C., et al. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00705 · Cited by 5,223
Self-citationDensity functional theory for transition metals and transition metal chemistry
Cramer, C. J., & Truhlar, D. G. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907148b · Cited by 1,648
Zheng, Y., Jiao, Y., Vasileff, A., & Qiao, S. (2018) · Angewandte Chemie International Edition · doi:10.1002/anie.201710556 · Cited by 1,489
Skúlason, E., Tripkovic, V., Björketun, M. E., Gudmundsdóttir, S., Karlberg, G., Rossmeisl, J., Bligaard, T., Jónsson, H., & Nørskov, J. K. (2010) · The Journal of Physical Chemistry C · doi:10.1021/jp1048887 · Cited by 1,271
Self-citationSheng, W., Zhuang, Z., Gao, M., Zheng, J., Chen, J. G., & Yan, Y. (2015) · Nature Communications · doi:10.1038/ncomms6848 · Cited by 1,136
Metadata
- Authors
- Karlberg, G. S., Jaramillo, T. F., Skúlason, E., Rossmeisl, J., Bligaard, T., & Nørskov, J. K.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2007-09-17
- Volume
- 99
- Issue
- 12
- Pages
- 126101-126101
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2076702902
- Cited by
- 231
- References
- 1
- FWCI
- 6.47
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Karlberg, G. S., Jaramillo, T. F., Skúlason, E., Rossmeisl, J., Bligaard, T., & Nørskov, J. K. (2007). Cyclic Voltammograms for H on Pt(111) and Pt(100) from First Principles. Physical Review Letters. https://doi.org/10.1103/physrevlett.99.126101
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