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A density functional theory study of adsorbate-induced work function change and binding energy: Olefins on Ag(111)

✍ Scribed by Bocquet, M.-L.; Rappe, A.M.; Dai *, H.-L.


Book ID
120232007
Publisher
Taylor and Francis Group
Year
2005
Tongue
English
Weight
180 KB
Volume
103
Category
Article
ISSN
0026-8976

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## Abstract The reaction mechanism for the styrene selective oxidation on the oxygen preadsorbed Au(111) surface has been studied by the density functional theory calculation with the periodic slab model. The calculated results showed that the process of reaction includes two steps: forming the oxa