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Aug 2026

High-Entropy Rare-Earth Halide Double Perovskites Convert Compositional Disorder Into Ion-Transport-Stabilized Broadband Near-Infrared Emission for LEDs.

The high-entropy halide-perovskite field has expanded rapidly, yet two central chemical questions remain insufficiently understood: how compositional disorder in complex ionic lattices can be converted into predictable, component-differentiated photophysical behavior with tailorable functionality, and what atomistic or...

Yuxiang Xin, Chen-Hui Yu, Jian-Ru Wang et al. · 0 citations
Preprint Sep 2026

A System-Independent Metadynamics Strategy for Reactive Training Data: Application to Gas-Phase Organic Reactions

General-purpose machine-learning interatomic potentials (MLIPs) for organic reactions need to be accurate on both the minimum energy path (MEP) for static evaluation of basic properties and the broader configurational space for simulating reaction dynamics. Existing general datasets for gas-phase organic reactions rely...

Wan-Run Jiang, Jin-Zhe Zeng, Man-Yi Yang et al. · 0 citations

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