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Adsorption of atomic oxygen on Ag(0 0 1): a study based on density-functional theory

โœ Scribed by Gabriele Cipriani; David Loffreda; Andrea Dal Corso; Stefano de Gironcoli; Stefano Baroni


Book ID
117216501
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
257 KB
Volume
501
Category
Article
ISSN
0039-6028

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Density functional study of oxygen adsor
โœ Xuemin Wang; Changle Sheng; Yuyin Wang; Liping Peng; Weidong Wu; Yongjian Tang ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 447 KB

The adsorption of oxygen atoms on Mg 3 Nd (0 0 1) surface was studied based on density function theory (DFT), in which the exchange-correlation potential was chosen as the generalized gradient approximation (GGA) in the Perdew and Wang (PW91). The most preferred adsorption position was at the tophol