000894987 001__ 894987
000894987 005__ 20240712112813.0
000894987 0247_ $$2doi$$a10.1002/aesr.202100121
000894987 0247_ $$2Handle$$a2128/29372
000894987 0247_ $$2pmid$$aWOS:000783865000013
000894987 0247_ $$2WOS$$aWOS:000783865000013
000894987 037__ $$aFZJ-2021-03515
000894987 082__ $$a333.7
000894987 1001_ $$0P:(DE-Juel1)179011$$aSzczuka, Conrad$$b0$$eCorresponding author
000894987 245__ $$aIdentification of LiPF 6 Decomposition Products in Li‐Ion Batteries with Endogenous Vanadyl Sensors Using Pulse Electron Paramagnetic Resonance and Density Functional Theory
000894987 260__ $$aWeinheim$$bWiley-VCH$$c2021
000894987 3367_ $$2DRIVER$$aarticle
000894987 3367_ $$2DataCite$$aOutput Types/Journal article
000894987 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1715084348_30445
000894987 3367_ $$2BibTeX$$aARTICLE
000894987 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000894987 3367_ $$00$$2EndNote$$aJournal Article
000894987 520__ $$aThe evaluation and enhancement of Li-ion battery chemistries relies on detailed knowledge of the chemical processes occurring. Undesired side reactions have to be identified and correlated with used materials and operation/storage conditions, which requires suitable analytical tools, especially for minor and reactive species. Herein, a complementing experimental and theoretical method based on pulse electron paramagnetic resonance and density functional theory is presented using vanadyl ions as sensors for the chemical battery environment. The sensor is endogenously formed via cathode dissolution during battery operation. Probing the ligand sphere of the sensor, decomposition products of the electrolyte salt LiPF6 are identified, which are proposed to comprise P(+V) and P(+III) constituents. Extensive conformational flexibility of the ligands is observed, which is investigated in terms of structural parameters and holistically with molecular dynamics simulations.
000894987 536__ $$0G:(DE-HGF)POF4-1223$$a1223 - Batteries in Application (POF4-122)$$cPOF4-122$$fPOF IV$$x0
000894987 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
000894987 7001_ $$0P:(DE-Juel1)156296$$aJakes, Peter$$b1$$ufzj
000894987 7001_ $$0P:(DE-Juel1)156123$$aEichel, Rüdiger-A.$$b2
000894987 7001_ $$0P:(DE-Juel1)162401$$aGranwehr, Josef$$b3$$ufzj
000894987 773__ $$0PERI:(DE-600)3010017-3$$a10.1002/aesr.202100121$$gp. 2100121 -$$n12$$p210012$$tAdvanced energy & sustainability research$$v2$$x2699-9412$$y2021
000894987 8564_ $$uhttps://juser.fz-juelich.de/record/894987/files/aesr.202100121.pdf$$yOpenAccess
000894987 909CO $$ooai:juser.fz-juelich.de:894987$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000894987 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)179011$$aForschungszentrum Jülich$$b0$$kFZJ
000894987 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)156296$$aForschungszentrum Jülich$$b1$$kFZJ
000894987 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)156123$$aForschungszentrum Jülich$$b2$$kFZJ
000894987 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)156123$$aRWTH Aachen$$b2$$kRWTH
000894987 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)162401$$aForschungszentrum Jülich$$b3$$kFZJ
000894987 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)162401$$aRWTH Aachen$$b3$$kRWTH
000894987 9131_ $$0G:(DE-HGF)POF4-122$$1G:(DE-HGF)POF4-120$$2G:(DE-HGF)POF4-100$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-1223$$aDE-HGF$$bForschungsbereich Energie$$lMaterialien und Technologien für die Energiewende (MTET)$$vElektrochemische Energiespeicherung$$x0
000894987 9141_ $$y2021
000894987 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000894987 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000894987 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bADV ENERG SUST RES : 2022$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)0501$$2StatID$$aDBCoverage$$bDOAJ Seal$$d2021-09-30T11:01:43Z
000894987 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ$$d2021-09-30T11:01:43Z
000894987 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bDOAJ : Anonymous peer review$$d2021-09-30T11:01:43Z
000894987 915__ $$0LIC:(DE-HGF)CCBYNV$$2V:(DE-HGF)$$aCreative Commons Attribution CC BY (No Version)$$bDOAJ$$d2021-09-30T11:01:43Z
000894987 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)0112$$2StatID$$aWoS$$bEmerging Sources Citation Index$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bADV ENERG SUST RES : 2022$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)0561$$2StatID$$aArticle Processing Charges$$d2023-08-28
000894987 915__ $$0StatID:(DE-HGF)0700$$2StatID$$aFees$$d2023-08-28
000894987 920__ $$lyes
000894987 9201_ $$0I:(DE-Juel1)IEK-9-20110218$$kIEK-9$$lGrundlagen der Elektrochemie$$x0
000894987 9801_ $$aFullTexts
000894987 980__ $$ajournal
000894987 980__ $$aVDB
000894987 980__ $$aI:(DE-Juel1)IEK-9-20110218
000894987 980__ $$aUNRESTRICTED
000894987 981__ $$aI:(DE-Juel1)IET-1-20110218