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.
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.
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.
Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface
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.
English
Molecular Simulation study of Alkyl Monolayers on Si(Ⅲ) Surface
Abstract:
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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Key words:
- Alkyl monolayer
- / Si(Ⅲ) surface
- / molecular simulation
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