Abstract
AbstractSlow decompression of crystalline benzene will bring difficulties in controlling the bonding geometries of carbon nanothreads, resulting in various topological structures at atomistic level. Topological analysis shows that there are 50 kinds of topologically distinct carbon nanothreads, and Euler’s rules for identifying these regular nanostructures are introduced. The binding energy and structural stabilities of various diamond nanothreads are analyzed from first-principle calculation results. The effects of stone–wales defects and chemical doping on the structural stability of diamond nanothreads are discussed. The formation process and controlled phase diagram of carbon nanothreads from atomistic insights are predicted using density functional theory.KeywordsTopological structureBinding energyStructural stabilityFirst-principle calculationFormation theory
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.
