Kinetics and mechanisms for the adsorption, dissociation, and diffusion of hydrogen in Ni and Ni/YSZ slabs : a DFT study
The adsorption, dissociation, and diffusion of hydrogen in Ni(100) and Ni(100)/YSZ(100) slabs with two different interfaces (Ni/cation and Ni/O interface) have been studied by the density functional theory (DFT) with the Perdew-Wang functional. The H(2) molecule is found to preferentially absorb on...
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Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 28(2012), 13 vom: 03. Apr., Seite 5596-605
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| 1. Verfasser: |
Weng, Meng Hsiung
(VerfasserIn) |
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| Weitere Verfasser: |
Chen, Hsin-Tsung,
Wang, Yao-Chun,
Ju, Shin-Pon,
Chang, Jee-Gong,
Lin, M C |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2012
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article |
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