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dc.contributor.authorPRAKASH, PRABHATen_US
dc.contributor.authorFall, Biraneen_US
dc.contributor.authorAguirre, Jordanen_US
dc.contributor.authorSonnenberg, Laura A.en_US
dc.contributor.authorChinnam, Parameswara Raoen_US
dc.contributor.authorChereddy, Sumanthen_US
dc.contributor.authorDikin, Dmitriy A.en_US
dc.contributor.authorVENKATNATHAN, ARUNen_US
dc.contributor.authorWunder, Stephanie L.en_US
dc.contributor.authorZdilla, Michael J.en_US
dc.date.accessioned2023-04-19T06:48:08Z
dc.date.available2023-04-19T06:48:08Z
dc.date.issued2023-05en_US
dc.identifier.citationNature Materials, 22, 627–635.en_US
dc.identifier.issn1476-4660en_US
dc.identifier.issn1476-1122en_US
dc.identifier.urihttps://doi.org/10.1038/s41563-023-01508-1en_US
dc.identifier.urihttp://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/7703
dc.description.abstractAlternative solid electrolytes are the next key step in advancing lithium batteries with better thermal and chemical stability. A soft solid electrolyte, (Adpn)2LiPF6 (Adpn, adiponitrile), is synthesized and characterized that exhibits high thermal and electrochemical stability and good ionic conductivity, overcoming several limitations of conventional organic and ceramic materials. The surface of the electrolyte possesses a liquid nano-layer of Adpn that links grains for a facile ionic conduction without high pressure/temperature treatments. Further, the material can quickly self-heal if fractured and provides liquid-like conduction paths via the grain boundaries. A substantially high ion conductivity (~10−4 S cm–1) and lithium-ion transference number (0.54) are obtained due to weak interactions between ‘hard’ (charge dense) Li+ ions and the ‘soft’ (electronically polarizable) –C≡N group of Adpn. Molecular simulations predict that Li+ ions migrate at the co-crystal grain boundaries with a (preferentially) lower activation energy Ea and within the interstitial regions between the co-crystals with higher Ea values, where the bulk conductivity is a smaller but extant contribution. These co-crystals establish a special concept of crystal design to increase the thermal stability of LiPF6 by separating ions in the Adpn solvent matrix, and also exhibit a unique mechanism of ion conduction via low-resistance grain boundaries, which contrasts with ceramics or gel electrolytes.en_US
dc.language.isoenen_US
dc.publisherSpringer Natureen_US
dc.subjectAtomistic modelsen_US
dc.subjectBatteriesen_US
dc.subject2023-APR-WEEK1en_US
dc.subjectTOC-APR-2023en_US
dc.subject2023en_US
dc.titleA soft co-crystalline solid electrolyte for lithium-ion batteriesen_US
dc.typeArticleen_US
dc.contributor.departmentDept. of Chemistryen_US
dc.identifier.sourcetitleNature Materialsen_US
dc.publication.originofpublisherForeignen_US
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