Dissociation and Sticking of H_2 on Mg(0001), Ti(0001) and La(0001) Surfaces (Cross-disciplinary Physics and Related Areas of Science and Technology)

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概要

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• We performed quantum dynamics calculations using previously obtained potential energy surfaces (PESs) for the dissociative adsorption of hydrogen molecule incident on a Mg(0001), Ti(0001), and La(0001) surface. Based on the sticking probability plots we obtained as functions of the incidence H_2 beam energy, La is the best material for hydrogen storage, followed by Ti, and then by Mg. This is due to the absence of an activation barrier in the H_2/La(0001) system. Both H_2/Ti(0001) and H_2/Mg(0001) systems have activation barriers, but the H_2/Ti(0001) system has a very small activation barrier far from the curved region of the reaction path, while the H_2/Mg(0001) system has a high activation barrier close to the curved region along the reaction path. Our results also indicate that the sticking probability has some dependence on the vibrational state of the impending H_2 molecule for the Mg, Ti and La surfaces. The degree of dependence still varies in each metal. Vibrational effect is most observed with Mg, followed by Ti, and then by La.

• 社団法人日本物理学会の論文
• 2004-03-15

著者

• Dino W.

  Center For The Promotion Of Research On Nanoscience And Nanotechnology Osaka University

• Nakanishi H.

  Department of Precision Science & Thclmalogy and Applied Physics, Osaka University

• Kasai H.

  Department of Precision Science & Thclmalogy and Applied Physics, Osaka University

• Kasai H.

  阪大工

• Dino W.

  Department of Physics, Osaka University

• Arboleda N.

  Department of Applied Physics, Osaka University

• KOBUHARA K.

  Department of Applied Physics, Osaka University

• Kobuhara K.

  Department Of Applied Physics Osaka University

• Dino W.a.

  Physics Department De La Salle University:department Of Physics Osaka University:center For The Prom

• Arboleda Jr.

  Department Of Applied Physics Osaka University

• Arboleda N.

  Department Of Applied Physics Osaka University

• Dino W.a.

  Department Of Physics Osaka University:physics Department. De La Salle University:center For The Pro

• Diflo W.

  Department Of Physics Osaka University:physics Department De La Salle University:center For Promotio

• Dino W.a.

  Department Of Physics Osaka University:physics Department. De La Salle University:center For The Pro

• Dino W.a.

  Department Of Physics Osaka University:physics Department. De La Salle University:center For The Pro

• Dino W.

  Department Of Applied Physics Osaka University:japan Science And Technology Corporation:physics Depa

• Nobuhara K.

  Department Of Applied Physics Osaka University

• Kasai H.

  Department Of Applied Physics Osaka University

• Dino W.

  Department of Apphed Physics. Osaka University:Institute of Industrial Science The University of Tokyo

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