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Atomic carbon adsorption on Ni nanoclusters: a DFT study

✍ Scribed by Qiang Wang; Kok Hwa Lim; Shuo-Wang Yang; Yanhui Yang; Yuan Chen


Book ID
105886495
Publisher
Springer
Year
2010
Tongue
English
Weight
437 KB
Volume
128
Category
Article
ISSN
1432-2234

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The different adsorption possibilities of thiophene (C 4 H 4 S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For