Rotational and Vibrational Coupling Effects on the Dissociative Adsorption and Associative Desorption Dynamics of D_2/Cu(111)
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概要
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We investigate and discuss the effects of the cotupling between molecular rotation and vibrationon the dissociative adsorption and associative desorption dynamics of D3/Cu(Ill), with the aidof a tnodel Hamiltonian and the concept of a reaction path. In otur unodel Hamiltonian, we takeinto accotrnt the molecular orientation dependence of tlae reaction path curvattnre in the kineticenergy terna. We calculate for the dissociative adsorption probability of D2 as a function of itsinitial translational energy, vibrational and rotational states, usiz'ng the coupled channel method.By invoking the principle of rnicroscopic reversibility, we obtain the corresponding associativedesorption probability results for D2 as a ftrraction of its fir'tal translational energy, vibrationaland rotational states from tlae dissociative adsorption probability results. Furtherunore, xve showthat the calctmlation results qtmalitatively agree with experinaental results.
- 社団法人日本物理学会の論文
- 1999-03-15
著者
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Dino Wilson
Department Of Physics Osaka University
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KASAI Hideaki
Department of Precision Science and Technology and Applied Physics, Osaka University
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Dino Wilson
Department Of Applied Physics Osaka University
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Miura Y
Department Of Applied Physics
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Miura Yoshio
Department of Applied Physics, Osaka University
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Miura Yu-ichi
The Institute For Soild State Physics The University Of Tokyo:department Of Physics Nagoya Universit
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Miura Yoshio
Department Of Applied Physics
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Miura Yuichi
Department Of Physics Faculty Of Science Kanazawa University:institute For Solid State Physics Unive
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Kasai Hideaki
Department Of Applied Physics Faculty Of Engineering Osaka University
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