Dependence of oxygen dissociative adsorption on platinum surface structures
We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O inte...
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2005
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oai:animorepository.dlsu.edu.ph:faculty_research-52742022-05-12T07:27:08Z Dependence of oxygen dissociative adsorption on platinum surface structures Yotsuhashi, Satoshi Yamada, Yuka Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O interatomic distances. Our calculation results show that the O2 dissociative adsorption progresses much more easily on Pt(001) than on Pt(111). These results are in good agreement with experimentally observed differences and trends in reactivities of Pt(001) and Pt(111). © 2005 The American Physical Society. 2005-07-15T07:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/4458 info:doi/10.1103/PhysRevB.72.033415 Faculty Research Work Animo Repository Oxygen—Absorption and adsorption Platinum Density functionals Physics |
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Oxygen—Absorption and adsorption Platinum Density functionals Physics |
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Oxygen—Absorption and adsorption Platinum Density functionals Physics Yotsuhashi, Satoshi Yamada, Yuka Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki Dependence of oxygen dissociative adsorption on platinum surface structures |
| description |
We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O interatomic distances. Our calculation results show that the O2 dissociative adsorption progresses much more easily on Pt(001) than on Pt(111). These results are in good agreement with experimentally observed differences and trends in reactivities of Pt(001) and Pt(111). © 2005 The American Physical Society. |
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text |
| author |
Yotsuhashi, Satoshi Yamada, Yuka Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki |
| author_facet |
Yotsuhashi, Satoshi Yamada, Yuka Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki |
| author_sort |
Yotsuhashi, Satoshi |
| title |
Dependence of oxygen dissociative adsorption on platinum surface structures |
| title_short |
Dependence of oxygen dissociative adsorption on platinum surface structures |
| title_full |
Dependence of oxygen dissociative adsorption on platinum surface structures |
| title_fullStr |
Dependence of oxygen dissociative adsorption on platinum surface structures |
| title_full_unstemmed |
Dependence of oxygen dissociative adsorption on platinum surface structures |
| title_sort |
dependence of oxygen dissociative adsorption on platinum surface structures |
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Animo Repository |
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2005 |
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https://animorepository.dlsu.edu.ph/faculty_research/4458 |
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