Pb(111)表面における水素原子の吸収反応  [in Japanese] Absorption Reaction of Hydrogen into Pd(111)  [in Japanese]

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Author(s)

Abstract

The absorption of hydrogen into Pd (111) is investigated. In particular, hydrogen-induced relaxation of the Pd lattice and its role in hydrogen absorption into the surface are studied. The potential energy curves (PECs) for the hydrogen motion on a frozen lattice surface and on a hydrogen-induced relaxed lattice surface are calculated within the density functional theory. From the calculated results, it can be seen that the energy barrier for hydrogen atom absorption takes the lowest value at an fcc hollow site on the frozen lattice surface. Furthermore, the barrier is lowered by the relaxation of the Pd lattice.

Journal

  • Shinku

    Shinku 45(3), 269-272, 2002-03-20

    The Vacuum Society of Japan

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Codes

  • NII Article ID (NAID)
    10008203115
  • NII NACSIS-CAT ID (NCID)
    AN00119871
  • Text Lang
    JPN
  • Article Type
    SHO
  • ISSN
    05598516
  • NDL Article ID
    6144652
  • NDL Source Classification
    ZN15(科学技術--機械工学・工業--流体機械)
  • NDL Call No.
    Z16-474
  • Data Source
    CJP  NDL  J-STAGE 
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