Abstract
The structures of the ordered diamond(100)-2×1-2NH2, disordered diamond(110)-1×1-2NH2, and quasiordered diamond(111)-1×1-NH2 surfaces were calculated using molecular mechanics and density functional approaches. The surface infrared spectra were simulated using force field molecular dynamics and compared to experimental observations. Hydrogen bonding was found to play a significant role in the structures and spectroscopic properties of these surfaces.
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.
