Theoretical study on adsorption and dissociation of NO2 molecule on Fe(111) surface
We applied periodic density-functional theory (DFT) to investigate the adsorption and dissociation of NO(2) on a Fe(111) surface. The most favorable adsorption configuration of NO(2)/Fe(111) is the FeNO(2)(S-mu(3)-N,O,O') configuration with NO(2) at the 3-fold-shallow site of the surface, which...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 26(2010), 10 vom: 18. Mai, Seite 7157-64
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| 1. Verfasser: |
Chen, Hui-Lung
(VerfasserIn) |
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| Weitere Verfasser: |
Wu, Shiuan-Yau,
Chen, Hsin-Tsung,
Chang, Jee-Gong,
Ju, Shin-Pon,
Tsai, Chiitang,
Hsu, Ling-Chieh |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2010
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article
Research Support, Non-U.S. Gov't
Iron
E1UOL152H7
Nitrogen Dioxide
S7G510RUBH |
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