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化学学报
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化学学报 ›› 1994, Vol. 52 ›› Issue (3): 209-216.    下一篇

研究论文

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

王泽新;张积树;于晓安;郝策;陈宗淇;周以群   

  1. 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
  • 发布日期:1994-03-15

Theoretical research of adsorption, vibration and surface diffusion of hydrogen atom on the Ni steped surface

WANG ZEXIN;ZHANG JISHU;YU XIAOAN;HAO CE;CHEN ZONGQI;ZHOU YIQUN   

  • Published:1994-03-15

PDF

448

被引次数

2

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。

关键词: 镍, 氢, 吸附, 振动, 对势方法, 表面扩散

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.

Key words: NICKEL, HYDROGEN, ADSORPTION, VIBRATION, SURFACE DIFFUSION

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