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Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals
Open accessAbstract
The modification of the electronic and chemical properties of Pt(111) surfaces by subsurface 3d transition metals was studied using density-functional theory. In each case investigated, the Pt surface d-band was broadened and lowered in energy by interactions with the subsurface 3d metals, resulting in weaker dissociative adsorption energies of hydrogen and oxygen on these surfaces. The magnitude of the decrease in adsorption energy was largest for the early 3d transition metals and smallest for the late 3d transition metals. In some cases, dissociative adsorption was calculated to be endothermic. The surfaces investigated in this study had no lateral strain in them, demonstrating that strain is not a necessary factor in the modification of bimetallic surface properties. The implications of these findings are discussed in the context of catalyst design, particularly for fuel cell electrocatalysts.
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Cited by
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-citationProgress 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-citationTowards the computational design of solid catalysts
Nørskov, J. K., Bligaard, T., Rossmeisl, J., & Christensen, C. H. (2009) · Nature Chemistry · doi:10.1038/nchem.121 · Cited by 4,161
Self-citationRecent advancements in Pt and Pt-free catalysts for oxygen reduction reaction
Nie, Y., Li, L., & Wei, Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00484a · Cited by 2,156
Stamenkovic, V., Mun, B. S., Mayrhofer, K. J. J., Ross, P. N., Markovic, N. M., Rossmeisl, J., Greeley, J., & Nørskov, J. K. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200504386 · Cited by 2,109
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Metadata
- Authors
- Kitchin, J. R., Nørskov, J. K., Barteau, M. A., & Chen, J. G.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2004-06-01
- Volume
- 120
- Issue
- 21
- Pages
- 10240-10246
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2069988560
- Cited by
- 1,358
- References
- 0
- FWCI
- 19.30
- Type
- journal article
- Language
- en
- Open access
- green
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- Kitchin, J. R., Nørskov, J. K., Barteau, M. A., & Chen, J. G. (2004). Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals. The Journal of Chemical Physics. https://doi.org/10.1063/1.1737365
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