Abstract
We investigate the electronic properties of symmetric zigzag-edged graphene nanoribbon (ZGNR) in the presence of nitrogen (N) substitutional doping by ab initio density functional theory. The transformation energies indicate that the impurity prefers to distribute near the edges. With N-doping moving from edge to center, the electronic transport properties are mainly governed by holes and carriers, respectively. The charge transfer induced by substitutional doping is analyzed in detail and the influences of doping on the electronic transport properties of the defective nanostructure have been discussed. Our results suggest that ZGNRs’ transport properties can be tuned via tailoring the atomic structures in terms of selective doping profiles, which would be helpful for designing graphene nanoribbon (GNR)-based nanoelectronic devices in future.
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.
