| Ni(115)台阶面对氢表面微观动力学行为的影响 |
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| 引用本文： | 张文霞,王泽新.Ni(115)台阶面对氢表面微观动力学行为的影响[J].物理化学学报,1996,12(10):910-915. |
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| 作者姓名： | 张文霞 王泽新 |
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| 作者单位： | Department of Chemistry,Shandong Teachers' University,Jinan 250014 |
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| 基金项目： | 国家自然科学基金，山东省自然科学基金 |
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| 摘 要： | 用５参数Ｍｏｒｓｅ势模拟氢－镍表面体系相互作用势，考察了氢原子在Ｎｉ（１１５）台面上吸附扩散行为。同时构造了氢分子与Ｎｉ（１００）和Ｎｉ（１１５）台阶面 相互作用推广的ＬＥＰＳ势面面，考察了氢分子解离化学吸附的微观动力学性质。
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| 关 键 词： | H-Ni(115)台阶面体系 H2-Ni(115)台阶面体系 表面吸附和扩散 氢分子解离的化学吸附 |
| 收稿时间： | 1996-04-29 |
| 修稿时间： | 1996-06-25 |
Effets of the Ni(115) Step Surface for the Chemical Kinetics of Hydrogen Atom and Molecule on the Surface |
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| Zhang Wexia, Wang Zexin.Effets of the Ni(115) Step Surface for the Chemical Kinetics of Hydrogen Atom and Molecule on the Surface[J].Acta Physico-Chimica Sinica,1996,12(10):910-915. |
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| Authors: | Zhang Wexia Wang Zexin |
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| Institution: | Department of Chemistry,Shandong Teachers' University,Jinan 250014 |
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| Abstract: | The interacted potential of the hydrogen-nickel surface system was simulated by means of the 5-parameters Morse potential,the adsorption and diffusion of a hydrogen atom on Ni(115) step surface were studied.The LEPS potential energy surfaces for the interaction of H2-Ni(100) and H2-Ni(115) systems were constructed and the chemcial kinetics of the dissociative adsorption of a hydrogen molecule was studied. The theoretical results show that,in comparison with Ni(100),the active potential barriers on Ni(115) are decreased obviously for the dissociative adsorption of a hydrogen molecule and trapping potential wells are formed for the surface diffusion of the hydrogen atom and molecule at near step because of the effects of the step surface. |
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| Keywords: | H-Ni(115) step surface system H_2-Ni(115) step surface system Adsorption and diffusion of surface Dissociative adsorption of a hydrogen molecule |
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