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Accelerating the theoretical study of Li‐polysulfide adsorption on single‐atom catalysts via machine learning approaches

Li–S batteries are a promising alternative to Li‐ion batteries, offering large energy storage capacity and wide operating temperature range. However, their performance is heavily affected by the Li‐polysulfide (LiPS) shuttling. Computational screening of LiPS adsorption on single‐atom catalyst (SAC)...

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Detalles Bibliográficos
Autores principales: Andritsos, Eleftherios I., Rossi, Kevin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9541244/
https://www.ncbi.nlm.nih.gov/pubmed/36245939
http://dx.doi.org/10.1002/qua.26956