Self-assembled monolayers of oligosilane on the silicon (001) surface: molecular dynamics simulations |
| |
Authors: | Li Zhao Xue-Mei Duan Xiang-Gui Xue Ming-Hui Li Ze-Sheng Li |
| |
Affiliation: | (1) State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, People’s Republic of China; |
| |
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: | |
本文献已被 SpringerLink 等数据库收录! |
|