ArticleAngewandte Chemie (International ed. in English)2025
Unraveling the Complexity of Divalent Hydride Electrolytes in Solid-State Batteries via a Data-Driven Framework with Large Language Model.
Article in Angewandte Chemie (International ed. in English), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
5 citing papers in PubMed.
- Materials Databases: Foundations of Modern Digital Materials.Precision chemistry · 2026Review
- A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides.Chemical science · 2026Article
- Digital materials ecosystem: from databases to AI agents for autonomous discovery.Chemical science · 2026Review
- Facile Synthesis of Inorganic LiAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Unraveling the Complexity of Divalent Hydride Electrolytes in Solid-State Batteries via a Data-Driven Framework with Large Language Model.Angewandte Chemie (International ed. in English) · 2025Article
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Authors and funding
12 authors.
Funding
Abstract
Solid-state electrolytes (SSEs) are essential for next-generation energy storage technologies. However, the exploration of divalent hydrides is hindered by complex ionic migration mechanisms and reliance on "trial-and-error" methodologies. Conventional approaches, which focus on individual materials and predefined pathways, remain inefficient. Herein, we present a data-driven artificial intelligence framework that integrates a comprehensive SSE database with large language models and ab initio metadynamics (MetaD) simulations to accelerate the discovery of hydride SSEs. Our study reveals that hydrides incorporating neutral molecules have great potential, with MetaD revealing novel "two-step" ion migration mechanisms. Predictive models developed using both experimental and computational data accurately forecast ionic migration activation energies for various types of hydride SSEs. In particular, some SSEs with carbon-containing neutral molecules exhibit notably low activation energy, with barriers as low as 0.62 eV. This framework enables the rapid identification of optimized SSE candidates and establishes a transformative tool for advancing sustainable energy storage technologies.
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Registered trials
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