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

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. [ABSTRACT FROM AUTHOR]