Abstract
We studied the electronic structure and magnetism in graphene induced by vacancy-defect and hydrogen-pairing adatoms using density functional theory (DFT). The results indicated that the decorating of H-adatoms brought half-metallicity behaviors in graphene, which depended on the configurations with the different number of carbon atoms between the adsorption sites of H-adatoms. When the number is odd, the systems exhibited half-metallic. Furthermore, the PDOS results suggested that the electronic and magnetic properties of graphene were mainly controlled by the C atoms around the vacancy-defect. These results provide useful information to understand the modifying of the electronic structures in hydrogenated graphene.
Sign-in/Register to access full text options 
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 callMore From: Physica E: Low-dimensional Systems and Nanostructures
Disclaimer: 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.
