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A Comparative Density Functional Theory Study of Water Gas Shift Over PdZn(111) and NiZn(111)

โœ Scribed by Wei, Haojuan; Gomez, Carolina; Meyer, Randall J.


Book ID
111967710
Publisher
Springer
Year
2012
Tongue
English
Weight
503 KB
Volume
55
Category
Article
ISSN
1022-5528

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Selective oxidation of styrene on an oxy
โœ Li-Qin Xue; Xian-Yong Pang; Gui-Chang Wang ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 389 KB

## 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