Abstract
Abstract Theoretical investigations on single-walled carbon nanotubes (SWCNT) have been carried out using ab initio and molecular interaction potential with polarization (MIPp) methodologies to explore the possibilities of Li + ion insertion through the open-end of nanotubes. Li–nanotube systems can improve the capacity of lithium batteries by using both nanotube exteriors and interiors. Ab initio calculations of the fully optimized nanotubes were used to examine the lithium incorporation in the nanotube through the open-end depending on its diameter size. The favorable interaction of the lithium cation with (5, 0), (6, 0), (7, 0), (8, 0), (9, 0) and (10, 0) zigzag open-ended nanotubes is studied and discussed.
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.
