Wide Bandgap Tuning of Violet Phosphorus Quantum Dots by Functionalization

Violet phosphorus quantum dots (VPQDs) are promising structures for bioimaging, solar cells, LEDs, diode lasers, and transistors due to the quantum confinement effects. Bandgap tuning is important for QDs to adjust their emissions for various applications. Nevertheless, no bandgap tuning of VPQDs has been investigated, since the violet phosphorus has just recently been successfully produced and confirmed. In this work, the bandgap of VPQDs has been demonstrated to be effectively tuned from 2.3 to 3.1 eV by a facile solvothermal path in different solvents to introduce different functional groups. The HOMO-LUMO gaps of VPQDs from different functionalizations have also been calculated by density functional theory to be 2.73, 2.77, 2.74, 2.80, 2.51, and 2.56 eV, respectively, which are well-consistent with the experimental results. Our results provide a simple pathway for bandgap tuning of VPQDs, which can be used for future optoelectronic applications.