Abstract
Using density functional theory, the structural stabilities, electronic and magnetic properties of Fen (n = 1–3) clusters absorbed on defected armchair graphene nanoribbons are systematically investigated. We found that such systems have high stabilities and large magnetic moments. From n = 3, the binding energies are very important compared with those of less number n. This can be explained by the fact that a triangularization phenomenon between iron atoms and also more bonds with neighboring carbon atoms. Fe3-3V-AGNR exhibits a half-metal behavior with 61% spin polarization.
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 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.
