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The influence of Mg on the C adsorption on Ni(1 0 0): A DFT study

✍ Scribed by Hernán Milberg; Alfredo Juan; Norma Amadeo; Beatriz Irigoyen


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
753 KB
Volume
315
Category
Article
ISSN
1381-1169

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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