Incorporating Trace Oxygen Enables Giant Photoluminescence Enhancement in CsPbBr3 Single Crystals

The project files provide experimental datasets for CsPbBr3 crystal chunks annealed under different oxygen pressures, PbO-doped CsPbBr3 single crystals, room-temperature photoluminescence spectra, power-dependent photoluminescence measurements, TRPL decay curves, XPS spectra, PXRD patterns, temperature profiles, I-V curves, and density-of-states plots.

The PDOS folder contains atom-resolved projected density of states data for Cs, Pb, Br, and O in representative defect and oxygen-passivated CsPbBr3 configurations. Each .dat file includes energy and orbital-resolved contributions, including s, p, d, and total density-of-states columns. Together, these files support the analysis of oxygen-induced deep-level defect passivation, enhanced radiative recombination, prolonged carrier lifetime, and changes in the electronic structure of CsPbBr3 single crystals after oxygen incorporation.