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Solely σ-Atop Site Bonding of Phenyl Isocyanide on Au(111)? Comparison with on Cu(111)

✍ Scribed by Sohn, Youngku; White, John M.

Book ID
126317441
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
672 KB
Volume
112
Category
Article
ISSN
1932-7447

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Selective oxidation of styrene on an oxygen-adsorbed Cu(111): A comparison with Au(111)
✍ Xian-Yong Pang; Bin Xing; Li-Qin Xue; Gui-Chang Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 396 KB

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