Facile reduction of NO via dinitrosyl on highly oxidized Mo(110): sensitivity to local structure and defects
Article Abstract:
An investigation regarding the formation of the mononitrosyl and dinitrosyl species on the highly oxidized Molybdenum Mo(110) surfaces is carried out and the possibility of using it as a model for NO reduction, which is induced by metal oxides is studied. The results indicate that adsorption sites can be created by the NO and this characteristic could be related to the defect density of the oxide.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Density functional theory study of pyrrole adsorption on Mo(110)
Article Abstract:
Adsorption configurations of pyrrole on Mo(110) were identified using density functional theory (DFT) calculations. Pyrrole is suggested to adsorb in a parallel mode with respect to the Mo(110) surface through its pi-orbital as mu3, eta(super 5)-Pyr-O degree with adsorption energy of -28.7 to -31.5 kcal mol(super -1).
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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