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Desorption of n-alkanes from graphene: a van der Waals density functional study

✍ Scribed by Londero, Elisa; Karlson, Emma K; Landahl, Marcus; Ostrovskii, Dimitri; Rydberg, Jonatan D; Schröder, Elsebeth

Book ID
121247979
Publisher
Institute of Physics
Year
2012
Tongue
English
Weight
385 KB
Volume
24
Category
Article
ISSN
0953-8984

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✍ Vanin, M.; Mortensen, J. J.; Kelkkanen, A. K.; Garcia-Lastra, J. M.; Thygesen, K 📂 Article 📅 2010 🏛 The American Physical Society 🌐 English ⚖ 450 KB

We use density functional theory ͑DFT͒ with a recently developed van der Waals density functional ͑vdW-DF͒ to study the adsorption of graphene on Co, Ni, Pd, Ag, Au, Cu, Pt, and Al͑111͒ surfaces. In contrast to the local-density approximation ͑LDA͒ which predicts relatively strong binding for Ni,Co,