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SCF MO pseudopotential studies of chemisorption hydrogen + Pt(111) clusters

✍ Scribed by A. Gavezzotti; G.F. Tantardioni; M. Simonetta

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 702 KB
Volume: 84
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(84)85194-0

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The results of an EHT study of the chemisorption of hydrogen on Pt, Au and mixed Pt-Au clusters (up to 19 atoms) are presented. On pure Pt clusters the adsorption sites have equal stability, while on pure Au the top site is the less favoured one. When Au atoms substitute Pt. a destabilization of th