ABSTRACT
The emerging graphene quantum dots (GQDs), carbon-based zero-dimensional materials have gained significant attention in research community for their promising abilities for optoelectronic, biomedical, and energyrelated applications. The combination of quantum confinement and edge effect makes these materials possess exceptional chemical and physical properties. This chapter aims to update regarding effect of size and shape on electronic properties of GQDs studied by various groups in the past few years on theoretical aspects. The modification of electronic properties of GQDs by chemical functionalization and the underlying mechanism behind the changes in HOMO–LUMO energy gaps of functionalized GQDs are systematically summarized. Herein, we discuss a mechanism which is based on the competition and collaboration between charge transfer and frontier orbital hybridization in edge-functionalized GQDs. 200This study can be useful for better tuning of electronic properties for practical device applications.
