2026-10-13T07:41:04Z https://www.scidb.cn/oai

10.57760/sciencedb.42432 2026-07-16T11:11:55Z

2026-07-16 Incorporating Trace Oxygen Enables Giant Photoluminescence Enhancement in CsPbBr3 Single Crystals doi:10.57760/sciencedb.42432 en This dataset contains the source data supporting the study of oxygen incorporation and defect passivation 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. radiation detector semiconductor; deep-level defect passivation; photoluminescence enhancement; oxygen incorporation; halide perovskite single crystals Siyu Xia Wenwen Lin Tao Bo RESTRICTED dataset Science Data Bank