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Cited by 203

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Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

Open access
Olsen, Thomas, Yan, Jun, Mortensen, Jens J., Thygesen, Kristian S.·2011·Physical Review Letters

Abstract

We calculate the potential energy surfaces for graphene adsorbed on Cu(111), Ni(111), and Co(0001) using density functional theory and the random phase approximation (RPA). For these adsorption systems covalent and dispersive interactions are equally important and while commonly used approximations for exchange-correlation functionals give inadequate descriptions of either van der Waals or chemical bonds, RPA accounts accurately for both. It is found that the adsorption is a delicate competition between a weak chemisorption minimum close to the surface and a physisorption minimum further from the surface.

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Metadata

Authors
Olsen, T., Yan, J., Mortensen, J. J., & Thygesen, K. S.
Venue
Physical Review Letters
Published
2011-10-03
Volume
107
Issue
15
Pages
156401-156401
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2022466435
Cited by
203
References
1
FWCI
13.55
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation. https://app.cochat.ai/papers/10.1103/physrevlett.107.156401
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Olsen, T., Yan, J., Mortensen, J. J., & Thygesen, K. S. (2011). Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation. Physical Review Letters. https://doi.org/10.1103/physrevlett.107.156401

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