Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface

Shi Ling YUAN Zheng Ting CAI Li XIAO

引用本文: Shi Ling YUAN,  Zheng Ting CAI,  Li XIAO. Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface[J]. Chinese Chemical Letters, 2003, 14(2): 213-216. shu
Citation:  Shi Ling YUAN,  Zheng Ting CAI,  Li XIAO. Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface[J]. Chinese Chemical Letters, 2003, 14(2): 213-216. shu

Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface

  • 基金项目:

    and Frof Xin-sheng Zhao (Beijing University) for providing literatures.This work was supported by the National Natural Science Foundalion of China (No.20173032).

    The authors thank Prof.Yuan-sheng Jiang (Nanjing University) for useful ciiscussions

摘要: The structure of eight-carbon monolayers on the H-terminated Si(Ⅲ) surface was investigated by molecular simulation method.The best substitution percent 50% for octene or octyne-derived monolayer can be obtained using molecular mechanics calculation.And the densely packed, well-ordered monolayer on Si(Ⅲ) surface can be shown through energy minimization in the suitable-size simulation cell.

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  • 收稿日期:  2002-04-12
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