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Hybrid Perovskite

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Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride

arXiv:2604.22952v2 Announce Type: replace-cross Abstract: Incorporating chiral organic cations into organic-inorganic hybrid materials has been shown to enable the inorganic sublattice to display chiroptical properties. We report a new two-dimensional magnetic ($S=1/2$) chiral metal halide material, (R)- and (S)-$(C_4H_9FN)_2CuCl_4$ (where $(C_4H_9FN)^+$ is 3-fluoropyrrolidinium), which consists of Cu-Cl inorganic layers separated by $(C_4H_9FN)^+$ organic cations.

arXiv Physics 1d ago

In situ nanocrystal confinement for efficient blue perovskite LEDs

Abstract Metal halide perovskites have emerged as promising semiconductors for light-emitting diodes (LEDs) owing to their excellent luminescence properties1. However, their performance remains limited, primarily owing to the inherent contradiction between ‘high crystallinity’ and ‘small size’ in the in situ synthesis of perovskite nanocrystals on substrates. Here we report efficient blue perovskite LEDs (PeLEDs) achieved via in situ polymerization-driven nanocrystal confinement to...

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AI crosses catalyst boundaries to uncover new route for green hydrogen

AI crosses catalyst boundaries to uncover new route for green hydrogen Gaby Clark Scientific Editor Robert Egan Associate Editor Discovering new catalysts is one of the central challenges in developing clean-energy technologies such as green hydrogen production. Yet catalyst discovery has traditionally remained confined within individual material families, limiting researchers' ability to transfer knowledge across chemically distinct systems. AI unites separate catalyst families A research...

Phys.org 10d ago

Agentic multi-fidelity learning of quasiparticle and excitonic properties

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arXiv Physics 1d ago

Agentic multi-fidelity learning of quasiparticle and excitonic properties

arXiv:2606.07836v1 Announce Type: cross Abstract: Many-body GW-Bethe-Salpeter equation calculations are essential for accurate simulations of electronic structure and optical properties in modern low-dimensional nanomaterials. However, these methods are computationally demanding and can exhibit localized numerical instabilities or convergence failures that are difficult to detect within high-throughput workflows. We introduce an agent-guided multi-fidelity framework for correcting...

arXiv CS 1d ago