Designing and Synthesizing Perovskites with Targeted Bandgaps via Tailored Descriptors
Abstract
Descriptors that govern the bandgaps of perovskite-type oxides are identified by analyzing experimentally reported materials, focusing on compositional, structural, and electronic features relevant to solar energy conversion. These descriptors form the basis of a machine learning model that predicts bandgaps across a wide chemical space. Several compositions with targeted optical properties are predicted and subsequently synthesized. Structural and optical characterization studies confirm….
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Article inforamation
Kenshin Shibata, Fernando Garcia-Escobar, Tomoya Tashiro, Lauren Takahashi and Keisuke Takahashi, Designing and Synthesizing Perovskites with Targeted Bandgaps via Tailored Descriptors, Chemical Science, 2025
DOI:10.1039/d5sc04813c
