The DOI matches its Crossref record; 20 of the 20 references it cites were found in a registry or an index.
Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite
Open accessAbstract
It is shown that it is now possible to include van der Waals (vdW) interactions via a nonempirical implementation of density functional (DF) theory to describe the correlation energy in electronic structure calculations on infinite systems of no particular symmetry. The vdW-DF theory [Phys. Rev. Lett. 92, 246401 (2004)] is applied to the adsorption of benzene and naphthalene on an infinite sheet of graphite, as well as the binding between two graphite sheets. A comparison with recent thermal-desorption data [Phys. Rev. B 69, 155406 (2004)] shows great promise for the vdW-DF method.
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Cites
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Zacharia, R., Ulbricht, H., & Hertel, T. (2004) · Physical Review B · doi:10.1103/physrevb.69.155406 · Cited by 1,131
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Self-citationTowards extending the applicability of density functional theory to weakly bound systems
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Lee, K., Murray, É. D., Kong, L., Lundqvist, B. I., & Langreth, D. C. (2010) · Physical Review B · doi:10.1103/physrevb.82.081101 · Cited by 2,755
Self-citationThe role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum
Strmcnik, D., Kodama, K., van der Vliet, D., Greeley, J., Stamenkovic, V. R., & Marković, N. M. (2009) · Nature Chemistry · doi:10.1038/nchem.330 · Cited by 771
Metadata
- Authors
- Chakarova-Käck, S. D., Schröder, E., Lundqvist, B. I., & Langreth, D. C.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2006-04-14
- Volume
- 96
- Issue
- 14
- Pages
- 146107-146107
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2042120485
- Cited by
- 414
- References
- 20
- FWCI
- 17.61
- Type
- journal article
- Language
- en
- Open access
- green
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- Chakarova-Käck, S. D., Schröder, E., Lundqvist, B. I., & Langreth, D. C. (2006). Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite. Physical Review Letters. https://doi.org/10.1103/physrevlett.96.146107
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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