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Anion-polarisation-directed short-range-order in antiperovskite Li(2)FeSO

Short-range ordering in cation-disordered cathodes can have a significant effect on their electrochemical properties. Here, we characterise the cation short-range order in the antiperovskite cathode material Li(2)FeSO, using density functional theory, Monte Carlo simulations, and synchrotron X-ray p...

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Detalles Bibliográficos
Autores principales: Coles, Samuel W., Falkowski, Viktoria, Geddes, Harry S., Pérez, Gabriel E., Booth, Samuel G., Squires, Alexander G., O'Rourke, Conn, McColl, Kit, Goodwin, Andrew L., Cussen, Serena A., Clarke, Simon J., Islam, M. Saiful, Morgan, Benjamin J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10281337/
https://www.ncbi.nlm.nih.gov/pubmed/37346739
http://dx.doi.org/10.1039/d2ta10037a