Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (10): 915-920.doi: 10.3866/PKU.WHXB19941010

• ARTICLE • Previous Articles     Next Articles

Effect of the Ni(510) Step Surface for the Dissociative Adsorption of Hydrogen Molecule

Wang Ze-Xin, Zhang Ji-Shu, Yu Xiao-An, Hao Ce, Chen Zong-Qi   

  1. Department of Chemistry,Shandong University,Jinan 250014|Department of Applied Chemistry,Qingdao Institute of Chemical Technology,Qingdao 266042
  • Received:1993-07-20 Revised:1994-01-24 Published:1994-10-15
  • Contact: Wang Ze-Xin

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Abstract:

The LEPS potential energy surfaces for the interaction of H2-Ni(100) and H2Ni(510) systems were obtained using the pairpotential method. The dissociative adsorption properties for H2 on Ni(100) surface were studied, theoretical results are in agreement with the experimental results.
The role of the step in the dissociative adsorption properties for H2 on Ni(510) step surface is that (1) at the terraces under the step, the direct dissociative paths are increased and the translational activation potential barriers axe decreased obviously, (2) at the terraces above the step and near step edge, the precursor dissociative paths are increased. Thus the active regions for the dissociation and association of H2 are situated near the step.

Key words: LEPS potential, Interaction between hydrogen and nickel, Dissociative adsorption of the hydrogen molecule