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Sep 2026

Data-Driven and Quantum-Chemical Insights into Emergence of Multiresonance Effect in Thermally Activated Delayed Fluorescence Emitters

Multiresonance thermally activated delayed fluorescence (MR-TADF) emitters enable narrow-bandwidth emission and high efficiency in organic light-emitting diodes; however, the fundamental origin of the multiresonance effect remains incompletely understood. Herein, a fine-tuned Uni-Mol model trained on reported MR-TADF...

Wei-Xiong Guo, Rajat Walia, Ke Du et al. · 0 citations
Open access Sep 2026

Learning from oxide perovskites for defect engineering in halide perovskite photovoltaics

The exceptional functional diversity of perovskites arises from a flexible octahedral architecture that tolerates chemical substitution, lattice distortion, nonstoichiometry, and structural imperfections. In oxide perovskites, this flexibility has been used to engineer oxygen vacancies, cation valence states, and exten...

Yang Jiang, Ming-Qian Chen, Yi-Bing Cheng et al. · 0 citations

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