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Theoretical studies of the geometries of O and S overlayers on the (100) surface of nickel

โœ Scribed by Stephen P. Walch; William A. Goddard III


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
360 KB
Volume
23
Category
Article
ISSN
0038-1098

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โœ Badal C. Khanra; Swapan K. Saha ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 300 KB

The London-Eyring-Polanyi-Sato method has been used to study senti-empirically the dissociative chemisorption of 02 on the Ni (100) surface. Several dissociation paths are considered. The path leading to the state of maxinmm binding energy corresponds to dissociation across a top position, the disso