Abstract
Reactions of nitromethane on Si(100) are investigated using density functional theory. Calculations show that nitromethane should strongly chemisorb to the surface dimer by means of a 1,3-dipolar cycloaddition reaction pathway, with no significant activation barrier. Though the 1,3-dipolar cycloaddition results in a strongly bound product, this initial cycloadduct is metastable with respect to rearrangement products formed through oxygen migrations between lattice silicons. Multiple products are likely to be present on the surface, so that it will not be well ordered. This reaction suggests a new route for attaching organic monolayers to Si(100) and provides a model system for bonding in silicon oxynitride films.
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.
