Abstract
In order to analyze the effects of the surface H atoms on elementary surface reactions, we repeated molecular dynamics simulations in which an H radical fell onto a hydrogen-terminated Si(001) surface. As a result of the simulation, we found that high hydrogen coverage inhibits H radicals from being adsorbed within the silicon substrate. Hydrogen radicals mainly caused adsorption or the H abstraction reaction, which generated several kinds of local surface structures with dangling bonds, and it was suggested that various local surface structures coexist on a growing surface. The local surface structure significantly affected the result, and its reactivity was high when the structure had a dangling bond, although a small difference in results was observed depending on the surrounding structures. These results indicate that the change in the local surface structure caused by H radicals may induce subsequent surface reactions.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
