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Adsorption and dissociation of N2O molecule on Fe(1 1 1) surface: A DFT study

โœ Scribed by Shiuan-Yau Wu; Chia-Hao Su; Jee-Gong Chang; Hsin-Tsung Chen; Chia-Hung Hou; Hui-Lung Chen

Book ID
116376038
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
588 KB
Volume
50
Category
Article
ISSN
0927-0256

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DFT study of adsorption and dissociation
DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)
โœ C. Morin; A. Eichler; R. Hirschl; P. Sautet; J. Hafner ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 509 KB

The different adsorption possibilities of thiophene (C 4 H 4 S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For