Abstract
In the framework of the density-functional theory we studied the atomic oxygen adsorption on the basal graphite surface at three imposed oxygen coverages 50, 25, 5.5% for three different adsorption sites, and also the dissolution of the atomic oxygen in graphite at one fixed coverage. Independently of the concentration, the most stable position of oxygen atoms is directly above a carbon–carbon bond (bridge), followed by the directly above a carbon atom position (top), and the directly above a hexagonal hollow (hex) site. Intercalating oxygen just below the surface layer, shows that dissoluted oxygen is more stable than adsorbed one.
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.
