Revealing the reason for the reversal of properties from fullerene to nonfullerene. Issue 1 (9th December 2021)

• Record Type: Journal Article
• Authors: Huang, Jiu-Chang; Li, Ming-Yang; Wu, Li-Na; Xiao, Chun-Ni; Sun, Guang-Yan
• Is Part Of: Physical chemistry chemical physics. Volume 24:Issue 1(2021)
• Page Start: 30
• Page End: 34
• Publication Date: 2021-12-09
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d1cp04255f
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The inflection points leading to property differences between fullerenes and nonfullerenes are proposed and studied. Abstract : The existence of an inflection point between fullerene and nonfullerene molecules was demonstrated using bowl-nonfullerene models, which were proposed to explore the key points relating to the different properties. This study explains the differences in the stacking configurations of the inflection points and reveals the reason for the inversion of properties, which is caused by small structural differences.