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Chemistry of sulfur-containing molecules on Au(1 1 1): thiophene, sulfur dioxide, and methanethiol adsorption

✍ Scribed by Gang Liu; José A. Rodriguez; Joseph Dvorak; Jan Hrbek; Tomas Jirsak


Book ID
117216607
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
255 KB
Volume
505
Category
Article
ISSN
0039-6028

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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