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Density Functional Study of Benzoquinone Sulfonate Adsorbed on a Pd(111) Electrode Surface

✍ Scribed by Alnald Javier; Ding Li; Perla B. Balbuena; Manuel P. Soriaga


Book ID
107683327
Publisher
Springer-Verlag
Year
2010
Tongue
English
Weight
327 KB
Volume
1
Category
Article
ISSN
1868-2529

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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