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Comparative van der Waals density-functional study of graphene on metal surfaces

✍ Scribed by Hamada, Ikutaro; Otani, Minoru

Book ID
120170973
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
239 KB
Volume
82
Category
Article
ISSN
1098-0121

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✍ Vanin, M.; Mortensen, J. J.; Kelkkanen, A. K.; Garcia-Lastra, J. M.; Thygesen, K πŸ“‚ Article πŸ“… 2010 πŸ› The American Physical Society 🌐 English βš– 450 KB

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,