分子軌道法による化学吸着の研究(A. 理学)

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  • 分子軌道法による化学吸着の研究
  • ブンシ キドウホウ ニ ヨル カガク キュウチャク ノ ケンキュウ
  • A Molecular Orbital Study on Chemisorption (A. NATURAL SCIENCE)

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A molecular orbital study was carried out to investigate the chemisorption of gaseous molecules onto the transition metal surfaces. In the adsorption of hydrogen, ethylene and carbon monoxide onto the nickel and platinum surfaces, the bonding of adsorbates was remarkably weakened at the sites of surface defects called steps and kinks. The mechanism of the bond weakening was explained in terms of the charge transfer between the adsorbate and the surface atoms. The chemisorptive interactions of the transition metals with the different number of d electrons were examined and compared with each other. The adsorption of acetylene and carbon monoxide was investigated using the nickel, platinum and tungsten surfaces. The d orbitals of nickel and platinum contribute to only the charge transfer from metal surfaces to adsorbates, while they contribute to the charge transfer in both directions in tungsten. So the interactions were much stronger than those in nickel and platinum, and the dissociation of adsorbed molecules was much easier in tungsten.

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