Fluorescence Origin and Chirality Mechanism of Graphene Quantum Dots: Twist or Non-Twist ?

In this paper, we theoretically investigate the fluorescence origin and chirality mechanism of graphene quantum dots with non-twist and twist geometries, respectively. It is revealed that twist is not necessary for fluorescence; but twist is must for the chirality, which can significantly enhance the intensity of chirality, demonstrated by ECD spectra. Our results provide deeper understanding on the physical mechanism of fluorescence and chirality of graphene quantum dot influenced by geometric twist.