Revealing the reason for the reversal of properties from fullerene to nonfullerene.

Autor: Huang JC; Department of Chemistry, Faculty of Science, Yanbian University, Yanji 133002, China. gysun@ybu.edu.cn., Li MY; Department of Chemistry, Faculty of Science, Yanbian University, Yanji 133002, China. gysun@ybu.edu.cn., Wu LN; Department of Chemistry, Faculty of Science, Yanbian University, Yanji 133002, China. gysun@ybu.edu.cn., Xiao CN; Department of Chemistry, Faculty of Science, Yanbian University, Yanji 133002, China. gysun@ybu.edu.cn., Sun GY; Department of Chemistry, Faculty of Science, Yanbian University, Yanji 133002, China. gysun@ybu.edu.cn.; Faculty of Chemical Engineering and New Energy Materials, Zhuhai College of Science and Technology, Zhuhai, Guangdong 519041, China.
Jazyk: angličtina
Zdroj: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2021 Dec 22; Vol. 24 (1), pp. 30-34. Date of Electronic Publication: 2021 Dec 22.
DOI: 10.1039/d1cp04255f
Abstrakt: 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.
Databáze: MEDLINE