The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
The CO/Pt(111) Puzzle
Open accessAbstract
Notwithstanding half a dozen theoretical publications, well-converged density- functional calculations, whether based on a local-density or generalized-gradient exchange-correlation potential, whether all-electron or employing pseudopotentials, underestimate CO's preference for low-coordination binding sites on Pt(111) and vicinals to it. For example, they imply that CO should prefer hollow- to atop-site adsorption on Pt(111), in apparent contradiction to a host of low-temperature experimental studies.
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Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Cited by
Density 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
Random-phase approximation and its applications in computational chemistry and materials science
Ren, X., Rinke, P., Joas, C., & Scheffler, M. (2012) · Journal of Materials Science · doi:10.1007/s10853-012-6570-4 · Cited by 610
Self-citationDensity Functional Theory for Electrocatalysis
Liao, X., Lu, R., Xia, L., Liu, Q., Wang, H., Zhao, K., Wang, Z., & Zhao, Y. (2022) · ENERGY & ENVIRONMENTAL MATERIALS · doi:10.1002/eem2.12204 · Cited by 420
Koenigsmann, C., & Wong, S. S. (2011) · Energy Environ. Sci. · doi:10.1039/c0ee00197j · Cited by 392
Modeling the electro-oxidation of CO and H2/CO on Pt, Ru, PtRu and Pt3Sn
Liu, P., Logadottir, A., & Nørskov, J. K. (2003) · Electrochimica Acta · doi:10.1016/s0013-4686(03)00538-3 · Cited by 302
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Metadata
- Authors
- Feibelman, P. J., Hammer, B., Nørskov, J. K., Wagner, F., Scheffler, M., Stumpf, R., Watwe, R., & Dumesic, J.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2000-11-21
- Volume
- 105
- Issue
- 18
- Pages
- 4018-4025
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2017219559
- Cited by
- 724
- References
- 4
- FWCI
- 18.12
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
