| Project/Area Number |
63540274
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
物性一般（含極低温･固体物性に対する理論）
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| Research Institution | Osaka University |
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Principal Investigator |
OKIJI Ayao Osaka Univ. Professor, 工学部, 教授 (20029002)
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| Co-Investigator(Kenkyū-buntansha) |
KASAI Hideaki Osaka Univ. Associate Professor, 工学部, 助教授 (00177354)
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| Project Period (FY) |
1988 – 1990
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| Project Status |
Completed (Fiscal Year 1990)
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| Budget Amount *help |
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1990: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1989: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 1988: ¥1,000,000 (Direct Cost: ¥1,000,000)
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| Keywords | Metal Surfaces / Molecules / Dynamical Pheromena / Friction Coefficient / Singlet-Triplet Conversion / CO Oxidation / Non-Markov Process / Vibrationally Assisted Sticking / CO酸化反応 / 金属触媒作用 / 解離吸着 / 非断熱効果 / 準安定励起ヘリウム原子の表面散乱 / 振動するCOの酸化反応 / 表面でのイオン散乱におけるエネルギ-散逸 / 表面での分子振動励起 / エネルギー散逸 / 昇温脱離スペクトル |
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| Research Abstract |
The dynamical process of adsorbed atoms at surfaces is generally determined by the structure of the potential energy surface and the energy dissipation to the surface degrees of freedom. In the case of molecules having internal degrees of freedom such as rotation and vibration, those internal states undergo a change in the dynamical process at surfaces. Hence, the internal state excitation is also one of the main factors determining the dynamical process at surfaces. In this research, dynamical phenomena of molecules interacting with metal surfaces have been investigated from various viewpoints. 1. Friction coefficient of adatoms interacting with metal surfaces has been calculated with the aid of the Bethe Ansatz solution of the Anderson model. The many body effects on the friction coefficient have been clarified completely. 2. The energy dissipation of charged particles to the electronic system of metal surfaces has been investigated within the time-dependent Newns-Anderson model. The non-adiabatic effects have been clarified on the energy dissipation. 3. Thermal desorption spectra (TDS) of coadsorbed molecules have been calculated with the use of the Monte Carlo method for the lattice gas model. The effects of the pair interaction between adsorbed molecules on TDS have been clarified. 4. It has been found that characteristics of the potential energy surface, namely, the curvature of the reaction path, the height of the activation barrier and its position with respect to the curved region of the reaction path, influence strongly on the vibrational excitation of associatively desorbing hydrogen molecules and on the vibrationally assited sticking phenomenon. 5. Relationship between the reactivity of the surface and subsurface oxygen has been clarified through the investigation of the kinetic oscillation in the catalytic CO oxidation on Pd (110).
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