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A density functional study of van der Waals interactions

✍ Scribed by Kamiya, Muneaki; Tsuneda, Takao; Hirao, Kimihiko


Book ID
120640430
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
372 KB
Volume
117
Category
Article
ISSN
0021-9606

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We use density functional theory Ν‘DFTΝ’ with a recently developed van der Waals density functional Ν‘vdW-DFΝ’ to study the adsorption of graphene on Co, Ni, Pd, Ag, Au, Cu, Pt, and AlΝ‘111Ν’ surfaces. In contrast to the local-density approximation Ν‘LDAΝ’ which predicts relatively strong binding for Ni,Co,