The Effect of the 3d Transition Metal Substrates on Dissociative Property of the Adsorbed Carbon Monoxide Studied by the Model Potential X_α Method

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概要

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• The model potential Xct method is applied to the electronic structure calcula-tions for carbon monoxide on 3d transition metal surfaces to elucidate the effectof the substrate metals and the coadsorbed alkali metal atoms on the dissociativeproperty of the adsorbate. From the results of the series calculations on MCO(M=Sc through Ni), Ni.(CO)zA, Ni.(CO).A (A=Li, Na, K), the mechanismof the substrate-adsorbate interaction is analysed from the view-point of them-back-donation. From the same angle are briefly viewed a blue-shift of the C-Ostretching frequency at higher CO coverage and an increased 0' electron-stimulated-desorption yield for electron energies above the O1.s' threshold.

• 社団法人日本物理学会の論文
• 1983-06-15

著者

• Taketa Hiroshi

  College Of General Education Kyoshu University

• Katsuki Shinichi

  College Of General Education Kyoshu University

• INOKUCHI Misako

  Department of Home Life Science,Fukuoka Women's University

• Inokuchi Misako

  Department Of Home Life Science Fukuoka Women's University

関連論文

• Theory and Application to CO/Ni System of the Model Potential X_α Method
• Model Potential Method in Hartree-Fock-Slater Formalism
• The Effect of the 3d Transition Metal Substrates on Dissociative Property of the Adsorbed Carbon Monoxide Studied by the Model Potential X_α Method

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