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PROPERTIES OF THE SURFACE DIFFUSION AND THE EFFECTS OF THE SURFACE DEFECTS FOR H ON Nl SURFACES-EAIVl STUDIES
Cao Peilin, Shi Danhua
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1989, 6 (3): 302-308.  
Abstract203)      PDF (492KB)(1047)      
The properties of the surface diffusion (SD) and the effects of the surfaces defects are studied using the cluster models and the embedded atom method (EAM).The results show that the activation energies of SD of H on Ni(100),(110) and (111) are 0.152eV,0.343eV and 0.142eV respectively.A adsorbeded Ni atom on Ni(100) is a trap while a vacancy is a barrier.A step on Ni(100) will increase the potential barrier and activation energy for the diffusing H atom across this step, and causing the anisotropy of SD of H on the stepped Ni surface.
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