Density Functional Study on the Interaction of Hydrogen with Pt_3Ti(111)
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概要
- 論文の詳細を見る
We investigate the catalytic property of the intermetallic compound Pt3Ti by studying the interaction of its (111) surface with hydrogen. Based on density functional theory, we obtain the 2-D PES to estimate the barrier for H2 dissociation, and the binding energy of H atom at different sites of the substrate. The observed energetics can be explained in terms of the role played by the Ti atoms in the compound. Our results show that the Ti atoms function as inactive components that dilute the concentration of the active Pt components thus making the compound less active than Pt towards hydrogen.
- 日本真空協会の論文
- 2006-05-20
著者
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KASAI Hideaki
Department of Precision Science and Technology and Applied Physics, Osaka University
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Mozo Romel
Department Of Applied Physics Osaka University
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DINO Wilson
Physics Department, De La Salle University
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Arboleda Nelson
Department of Applied Physics, Osaka University
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Arboleda Nelson
Department Of Applied Physics Osaka University
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Kasai Hideaki
Department Of Applied Physics Osaka University
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Rodulfo Emmanuel
Physics Department De La Salle University
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Arboleda Jr.
Department Of Applied Physics Osaka University
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Kasai Hideaki
Department Of Applied Physics Faculty Of Engineering Osaka University
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Dino Wilson
Physics Department De La Salle University
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