Graphene quantum dots with a Stone-Wales defect as a topologically tunable platform for visible-light harvesting

In this work, we report for the first time crucial role of topological anomalies like Stone-Wales (SW) type bond rotations in tuning optical properties graphene quantum dots (GQDs). By means first-principles calculations, show that structural stability GQDs strongly depends on position SW defects. Optical absorption spectra is then computed using electron-correlated methodology to demonstrate reconstruction responsible appearance new defect-induced peaks below gap and dramatically modifies profile. addition, our investigations signify electron correlation effects become more dominant SW-defected GQDs. We finally establish introduction defects at specific locations enhances light visible range, which prime importance designing harvesting, photocatalytic optoelectronic devices.