Understanding the Solvation Structure of Li-Ion Battery Electrolytes Using DFT-Based Computation and (1)H NMR Spectroscopy

[Image: see text] Molecular dynamics (MD) simulations, density functional theory (DFT) calculations, and (1)H NMR spectroscopy were performed to gain a complementary understanding of the concentrated Li-ion electrolyte system, lithium bis(trifluoromethanesulfonyl)imide (Li[TFSI]) dissolved in tetrag...

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Detalles Bibliográficos
Autores principales: Im, Julia, Halat, David M., Fang, Chao, Hickson, Darby T., Wang, Rui, Balsara, Nitash P., Reimer, Jeffrey A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9720717/
https://www.ncbi.nlm.nih.gov/pubmed/36383474
http://dx.doi.org/10.1021/acs.jpcb.2c06415

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