The DOI matches its Crossref record; 31 of the 31 references it cites were found in a registry or an index.
Comparative van der Waals density-functional study of graphene on metal surfaces
Abstract
We present a comparative van der Waals density-functional (vdW-DF) study of graphene adsorbed on (111) surfaces of Ni, Cu, Pd, Ag, Au, and Pt, using the second version of vdW-DF (vdW-DF2) of Lee et al. [Phys. Rev. B 82, 081101(R) (2010)] and the exchange functional (C09) developed by Cooper [Phys. Rev. B 81, 161104(R) (2010)]. We show that the use of the vdW-DF2 correlation together with the C09 exchange yields the most satisfactory results: Adsorption geometries of graphene are in good agreement with available experiment data, and the electronic structure of graphene varies depending on the nature of the substrate. Band-gap opening at the $K$ point observed on the Ni(111) surface is reproduced reasonably well.
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Cites
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,622
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Higher-accuracy van der Waals density functional
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Mounet, N., Gibertini, M., Schwaller, P., Campi, D., Merkys, A., Marrazzo, A., Sohier, T., Castelli, I. E., Cepellotti, A., Pizzi, G., et al. (2018) · Nature Nanotechnology · doi:10.1038/s41565-017-0035-5 · Cited by 1,863
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Chen, Y., Gong, X., & Gai, J. (2016) · Advanced Science · doi:10.1002/advs.201500343 · Cited by 357
Graphene on Ni(111): Strong interaction and weak adsorption
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Metadata
- Authors
- Hamada, I., & Otani, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2010-10-26
- Volume
- 82
- Issue
- 15
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2052867835
- Cited by
- 317
- References
- 31
- FWCI
- 10.19
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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