Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (10): 910-915.doi: 10.3866/PKU.WHXB19961010

• ARTICLE • Previous Articles     Next Articles

Effect of the Ni(115) Step Surface for the Chemical Kinetics of Hydrogen Atom and Molecule on the Surface

Zheng Wen-Xia,Wang Ze-Xin   

  1. Department of Chemistry,Shandong Teachers' University,Jinan 250014
  • Received:1996-04-29 Revised:1996-06-25 Published:1996-10-15
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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.

Key words: H-Ni(115) step surface system, H2-Ni(115) step surface system, Adsorption and diffusion of surface, Dissociative adsorption of a hydrogen molecule