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Density Functional Theory Studies on Sulfur–Polyacrylonitrile as a Cathode Host Material for Lithium–Sulfur Batteries

[Image: see text] Cyclized polyacrylonitrile, which can be obtained by vulcanization of polyacrylonitrile with sulfur, is an electron-conductive polymer that can be used as a host material in lithium–sulfur batteries. Using density functional theory, we investigated the interaction between a surroun...

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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Bertolini, Samuel, Jacob, Timo
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2021
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8047702/
https://ncbi.nlm.nih.gov/pubmed/33869950
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c06240
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