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Citation: Zheng Wen-Xia, Wang Ze-Xin. Effect 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. doi: 10.3866/PKU.WHXB19961010 shu

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

1.
Department of Chemistry,Shandong Teachers' University,Jinan 250014

Received Date: 29 April 1996
Available Online: 15 October 1996

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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