Abstract
The electronic structure of a zigzag nanoribbon cutting obtained from graphene monoxide nanosheet was investigated by density functional theory method. The nanoribbons were passivated by hydrogen and/or oxygen atoms. The results contained equilibrium geometries, electronic structures, band structures and partial density of states (PDOS). These results show that the band gap of oxygen-passivated nanoribbon is smaller than those belong to the hydrogen-passivated one. These variations, along with other results, have been interpreted and treated on by variations in PDOS, hybridization of edge carbon atoms, spatial distribution and geometry of highest occupied molecular orbitals and lowest unoccupied molecular orbitals.
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.
