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 |
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Pages (from-to) | 721-726 |
Number of pages | 6 |
Journal | Journal of Molecular Modeling |
Volume | 17 |
Issue number | 4 |
DOIs | |
Publication status | Published - Apr 2011 |
Externally published | Yes |
Keywords
- Molecular dynamics simulations
- Oligosilane
- Self-assembled monolayer
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Zhao, L., Duan, X. M., Xue, X. G., Li, M. H., & Li, Z. S. (2011). Self-assembled monolayers of oligosilane on the silicon (001) surface: Molecular dynamics simulations. Journal of Molecular Modeling, 17(4), 721-726. https://doi.org/10.1007/s00894-010-0774-9