Year-end Sale % OFF 
Abstract
The encapsulation of small fullerenes into graphyne nanotubes was studied to investigate the possibility of band gap engineering in these nanotubes. The electronic properties of zigzag (4,0) and (5,0) graphyne nanotubes filled with small $$\hbox {C}_{20}$$C20 and $$\hbox {C}_{30}$$C30 fullerenes were studied using density functional theory. It was found that the zigzag (4,0) and (5,0) graphyne nanotubes were semiconductors. These graphyne nanotubes filled with $$\hbox {C}_{20}$$C20 and $$\hbox {C}_{30}$$C30 fullerenes were shown p-type and n-type semiconducting properties, respectively. The energy band gap was dependent on the number of the encapsulated fullerenes. Our results demonstrated the ability of band gap engineering through the encapsulation of small fullerenes into graphyne nanotubes.
Published Version
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.
