CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1994, Vol. 11 ›› Issue (4): 425-428.

Previous Articles     Next Articles

SUBSTRATE MODEL AND INTERACTING POTENTIAL OF METHYL WITH DIAMOND (Ⅲ) SURFACE

Liu Bo, Li Yanxin, Qian Xingzhong, Pan Shoufu   

  1. Institute of Atomic and Molecular Physics, Jilin University, Changchun, 130023
  • Received:1993-01-19 Revised:1994-03-10 Online:1994-12-25 Published:1994-12-25

Abstract: The potential energy curves between methyl and diamond (Ⅲ) surface are calculated by Ami semi-empirical molecular orbital method, which are found to be in close agreement with the substrate models. It provides much information for studying the dynamic processes of the nucleation and growth of diamond films, and more general adsorption as well.

Key words: substrate model, potential energy, methyl radical, diamond (Ⅲ) surface

CLC Number: