First-Principles-Based Optimized Design of Fluoride Electrolytes

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First-Principles-Based Optimized Design of Fluoride Electrolytes ( first-principles-based-optimized-design-fluoride-electrolyte )

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Molecules 2022, 27, 6949 17 of 17 46. Liao, Q.; Mu, M.; Zhao, S.; Zhang, L.; Jiang, T.; Ye, J.; Shen, X.; Zhou, G. Performance assessment and classification of retired lithium ion battery from electric vehicles for energy storage. Int. J. Hydrogen Energy 2017, 42, 18817–18823. [CrossRef] 47. Zhao, Y.; Zhou, T.; Ashirov, T.; Kazzi, M.E.; Cancellieri, C.; Jeurgens, L.P.; Choi, J.W.; Coskun, A. Fluorinated ether electrolyte with controlled solvation structure for high voltage lithium metal batteries. Nat. Commun. 2022, 13, 2575. [CrossRef] 48. Lu, T.; Chen, F. Multiwfn: A multifunctional wavefunction analyzer. J. Comput. Chem. 2012, 33, 580–592. [CrossRef] [PubMed] 49. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Scalmani, G.; Barone, V.; Petersson, G.A.; Nakatsuji, H.; et al. Gaussian 16 Rev. C.01; Gaussian, Inc.: Wallingford, CT, USA, 2016.

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