Self-assembled monolayers of oligosilane on the silicon (001) surface: Molecular dynamics simulations

Li Zhao; Xue Mei Duan; Xiang Gui Xue; Ming Hui Li; Ze Sheng Li

doi:10.1007/s00894-010-0774-9

Self-assembled monolayers of oligosilane on the silicon (001) surface: Molecular dynamics simulations

Li Zhao, Xue Mei Duan, Xiang Gui Xue, Ming Hui Li, Ze Sheng Li^*

^*Corresponding author for this work

Jilin University

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Atomistic molecular dynamics simulations have been used to investigate the adsorption of permethyldecasilane (MS10) on the silicon (001) surface. The condition under which the self-assembled monolayer forms is examined. The properties of the well-ordered structures, including the packing patterns, the equilibrium distances between two neighboring chains, and the tilt angles, are calculated to characterize the structure of the self-assembled monolayer. The results are comparable with those obtained experimentally.

Original language	English
Pages (from-to)	721-726
Number of pages	6
Journal	Journal of Molecular Modeling
Volume	17
Issue number	4
DOIs	https://doi.org/10.1007/s00894-010-0774-9
Publication status	Published - Apr 2011
Externally published	Yes

Keywords

Molecular dynamics simulations
Oligosilane
Self-assembled monolayer

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10.1007/s00894-010-0774-9

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abstract = "Atomistic molecular dynamics simulations have been used to investigate the adsorption of permethyldecasilane (MS10) on the silicon (001) surface. The condition under which the self-assembled monolayer forms is examined. The properties of the well-ordered structures, including the packing patterns, the equilibrium distances between two neighboring chains, and the tilt angles, are calculated to characterize the structure of the self-assembled monolayer. The results are comparable with those obtained experimentally.",

keywords = "Molecular dynamics simulations, Oligosilane, Self-assembled monolayer",

author = "Li Zhao and Duan, {Xue Mei} and Xue, {Xiang Gui} and Li, {Ming Hui} and Li, {Ze Sheng}",

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AU - Duan, Xue Mei

AU - Xue, Xiang Gui

AU - Li, Ming Hui

AU - Li, Ze Sheng

PY - 2011/4

Y1 - 2011/4

N2 - Atomistic molecular dynamics simulations have been used to investigate the adsorption of permethyldecasilane (MS10) on the silicon (001) surface. The condition under which the self-assembled monolayer forms is examined. The properties of the well-ordered structures, including the packing patterns, the equilibrium distances between two neighboring chains, and the tilt angles, are calculated to characterize the structure of the self-assembled monolayer. The results are comparable with those obtained experimentally.

AB - Atomistic molecular dynamics simulations have been used to investigate the adsorption of permethyldecasilane (MS10) on the silicon (001) surface. The condition under which the self-assembled monolayer forms is examined. The properties of the well-ordered structures, including the packing patterns, the equilibrium distances between two neighboring chains, and the tilt angles, are calculated to characterize the structure of the self-assembled monolayer. The results are comparable with those obtained experimentally.

KW - Molecular dynamics simulations

KW - Oligosilane

KW - Self-assembled monolayer

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Self-assembled monolayers of oligosilane on the silicon (001) surface: Molecular dynamics simulations

Abstract

Keywords

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