| Molecular Simulation study of Alkyl Monolayers on Si(III) Surface |
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| 作者姓名： | Shi Ling YUAN * Zheng Ting CAI Li XIAO Institute of Theoretical Chemistry Shandong University Ji抧an Institute of Colloid & Interface Chemistry Shandong University Ji抧an |
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| 作者单位： | Shi Ling YUAN1，2*，Zheng Ting CAI1，Li XIAO2 1Institute of Theoretical Chemistry，Shandong University，Ji抧an 250100 2Institute of Colloid & Interface Chemistry，Shandong University，Ji抧an 250100 |
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| 基金项目： | supported by the National Natural Science Foundation of China (No.20173032). |
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| 摘 要： | The preparation of monolayers on silicon surface is of growing interest for potential applications in biosensor or semiconductor technology. Different experimental technique can be used to investigate the alkyl modified Si(III) surfaces1-4, such as X-ray photoelectron spectroscopy (XPS), Fourier transform infrared absorption spectra(FTIR), scanning electron microscopy (SEM), Auger electron spectroscopy (AES), scanning tunneling microscope (STM), and so on. These experimental results…
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Molecular Simulation study of Alkyl Monolayers on Si(III) Surface |
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| 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). |
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| Authors: | Shi Ling YUAN Zheng Ting CAI Li XIAO |
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| 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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| Keywords: | Alkyl monolayer Si(III) surface molecular simulation |
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