Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

Based on computations, the authors show that voltage stability of battery electrolytes is determined not by a single component but by formation of charge transfer complexes between salt anions and solvent molecules. A physical model is proposed and validated on several common electrolyte composition...

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Main Authors:	Eric R. Fadel, Francesco Faglioni, Georgy Samsonidze, Nicola Molinari, Boris V. Merinov, William A. Goddard III, Jeffrey C. Grossman, Jonathan P. Mailoa, Boris Kozinsky
Format:	Article
Language:	English
Published:	Nature Publishing Group 2019-07-01
Series:	Nature Communications
Online Access:	https://doi.org/10.1038/s41467-019-11317-3

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spelling	doaj-5d258882f98244a2a92450d83fa39d1b2021-05-11T11:30:55ZengNature Publishing GroupNature Communications2041-17232019-07-0110111010.1038/s41467-019-11317-3Role of solvent-anion charge transfer in oxidative degradation of battery electrolytesEric R. Fadel0Francesco Faglioni1Georgy Samsonidze2Nicola Molinari3Boris V. Merinov4William A. Goddard III5Jeffrey C. Grossman6Jonathan P. Mailoa7Boris Kozinsky8John A. Paulson School of Engineering and Applied Sciences, Harvard UniversityDepartment of Chemical and Geological Sciences, University of Modena and Reggio EmiliaRobert Bosch LLC, Research and Technology CenterJohn A. Paulson School of Engineering and Applied Sciences, Harvard UniversityMaterials and Process Simulation Center, California Institute of TechnologyMaterials and Process Simulation Center, California Institute of TechnologyDepartment of Materials Science and Engineering, Massachusetts Institute of TechnologyRobert Bosch LLC, Research and Technology CenterJohn A. Paulson School of Engineering and Applied Sciences, Harvard UniversityBased on computations, the authors show that voltage stability of battery electrolytes is determined not by a single component but by formation of charge transfer complexes between salt anions and solvent molecules. A physical model is proposed and validated on several common electrolyte compositions.https://doi.org/10.1038/s41467-019-11317-3
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Eric R. Fadel Francesco Faglioni Georgy Samsonidze Nicola Molinari Boris V. Merinov William A. Goddard III Jeffrey C. Grossman Jonathan P. Mailoa Boris Kozinsky
spellingShingle	Eric R. Fadel Francesco Faglioni Georgy Samsonidze Nicola Molinari Boris V. Merinov William A. Goddard III Jeffrey C. Grossman Jonathan P. Mailoa Boris Kozinsky Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes Nature Communications
author_facet	Eric R. Fadel Francesco Faglioni Georgy Samsonidze Nicola Molinari Boris V. Merinov William A. Goddard III Jeffrey C. Grossman Jonathan P. Mailoa Boris Kozinsky
author_sort	Eric R. Fadel
title	Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
title_short	Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
title_full	Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
title_fullStr	Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
title_full_unstemmed	Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
title_sort	role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
publisher	Nature Publishing Group
series	Nature Communications
issn	2041-1723
publishDate	2019-07-01
description	Based on computations, the authors show that voltage stability of battery electrolytes is determined not by a single component but by formation of charge transfer complexes between salt anions and solvent molecules. A physical model is proposed and validated on several common electrolyte compositions.
url	https://doi.org/10.1038/s41467-019-11317-3
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Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

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