Publication | Open Access
A high-throughput computational dataset of halide perovskite alloys
26
Citations
43
References
2023
Year
Materials ScienceMaterials EngineeringLead-free PerovskitesEngineeringPerovskite Solar CellPerovskite ModuleApplied PhysicsHalide Perovskite AlloysHalide PerovskitesChemistryCrystallographyHigh-throughput Computational DatasetFunctional MaterialsMicrostructureMultiple Dft Functionals
A high-throughput computational dataset of halide perovskite alloys is generated from 494 unique compositions, using multiple DFT functionals. The dataset is further applied to screen promising halide perovskites with high stability, suitable band gap and excellent PV efficiency.
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