| 氢原子在镍台阶面上吸附、振动和表面扩散行为的理论研究 |
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| 引用本文： | 王泽新,张积树,于晓安,郝策,陈宗淇,周以群.氢原子在镍台阶面上吸附、振动和表面扩散行为的理论研究[J].化学学报,1994,52(3):209-216. |
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| 作者姓名： | 王泽新 张积树 于晓安 郝策 陈宗淇 周以群 |
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| 作者单位： | 青岛化工学院应用化学系;北京石油化工学院应用技术研究所 |
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| 摘 要： | 本文用对势方法研究了氢原子在Ni(510)台阶面上的吸附和振动, 计算结果与实验符合得很好。并考察了氢原子在Ni(997)台阶面上的吸附和扩散, 结果表明,台阶对下台面上扩散的氢原子开成捕获势阱, 对上台面扩散的氢原子形成反射势,这也很好地支持了实验结果。
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| 关 键 词： | 镍 氢 吸附 振动 对势方法 表面扩散 |
Theoretical research of adsorption, vibration and surface diffusion of hydrogen atom on the Ni steped surface |
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| WANG ZEXIN,ZHANG JISHU,YU XIAOAN,HAO CE,CHEN ZONGQI,ZHOU YIQUN.Theoretical research of adsorption, vibration and surface diffusion of hydrogen atom on the Ni steped surface[J].Acta Chimica Sinica,1994,52(3):209-216. |
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| Authors: | WANG ZEXIN ZHANG JISHU YU XIAOAN HAO CE CHEN ZONGQI ZHOU YIQUN |
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| Abstract: | The adsorption and vibration of a hydrogen atom on the Ni(510) stepped surface was studied by pair potential method. Calculation results are in agreement with the experimental results. The adsorption and diffusion of a hydrogen atom on the Ni(997) stepped surface was also studied. By the anal. theor., the role of step is that the trapping potential wells are formed for the diffusion of a hydrogen atom on the lower terrace and the reflective potential is set up for that on the upper terrace, which also give support to experimental results satisfactorily. |
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| Keywords: | NICKEL HYDROGEN ADSORPTION VIBRATION SURFACE DIFFUSION |
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