Size dependent lithium-ion conductivity of solid electrolytes in machine learning molecular dynamics simulations

Solid-state electrolytes are key ingredients in next-generation devices for energy storage and release. Machine learning molecular dynamics (MLMD) has shown great promise in studying the diffusivity of mobile ions in solid-state electrolytes, with much higher efficiency than conventional ab initio m...

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Bibliografiske detaljer

Principais autores:	Yixi Zhang, Jin-Da Luo, Hong-Bin Yao, Bin Jiang
Format:	Artigo
Sprog:	Inglês
Udgivet:	Elsevier 2024-06-01
Serier:	Artificial Intelligence Chemistry
Fag:	Machine learning molecular dynamics Solid-state electrolytes Finite-size effects Ionic conductivity
Online adgang:	http://www.sciencedirect.com/science/article/pii/S2949747724000095
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