Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5426538 | Surface Science | 2007 | 5 Pages |
Abstract
Molecular dynamics simulations of the CH3 interaction with Si(1Â 0Â 0) were performed using the Tersoff-Brenner potential. The H/C ratio obtained from the simulations is in agreement with available experimental data. The results show that H atoms preferentially react with Si. SiH is the dominant form of SiHx generated. The amount of hydrogen that reacts with silicon is essentially energy-independent. H atoms do not react with adsorbed carbon atoms. The presence of C-H bonds on the surface is due to molecular adsorption.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
F. Gou, M.A. Gleeson, A.W. Kleyn,