A backward-mapping framework with chemical-genome descriptors and ML reduces 13,088 compositions to seven DFT-validated lead-free double perovskite candidates with phase stability and functional electronic properties.
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cond-mat.mtrl-sci 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
Authors validate an in-situ XRD methodology for accurate sample temperature estimation and phase transition analysis on CsPbCl3 as a model, then apply it to Cs2AgSbCl6.
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Backward Mapping from Device Targets to Chemical Genomes for Interpretable Discovery of Phase-Stable Lead-Free Double Perovskites with DFT-Validated Design Rules
A backward-mapping framework with chemical-genome descriptors and ML reduces 13,088 compositions to seven DFT-validated lead-free double perovskite candidates with phase stability and functional electronic properties.
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Thermal Corrections and Analysis on the Phase Stability of CsPbCl3 and Cs2AgSbCl6 during In-Situ Thermal Treatment
Authors validate an in-situ XRD methodology for accurate sample temperature estimation and phase transition analysis on CsPbCl3 as a model, then apply it to Cs2AgSbCl6.