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dc.contributor.authorZachariah, Manesh
dc.contributor.authorRomanini, Michela
dc.contributor.authorTripathi, Pragya
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorMacovez, Roberto
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2016-03-17T16:03:13Z
dc.date.available2016-03-17T16:03:13Z
dc.date.issued2015-11-11
dc.identifier.citationZachariah, M., Romanini, M., Tripathi, P., Del Barrio, M., Tamarit, J. Ll., Macovez, R. Self-Diffusion, Phase Behavior, and Li+ Ion Conduction in Succinonitrile-Based Plastic Cocrystals. "The journal of physical chemistry. Part C, nanomaterials and interfaces", 11 Novembre 2015, vol. 119, núm. 49, p. 27298-27306.
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/2117/84661
dc.description.abstractWe study the temperature-dependent molecular dynamics, ion conduction, and phase behavior of plastic-crystal electrolytes based on the succinonitrile molecule. We employ calorimetry and dielectric spectroscopy to probe binary mixtures of succinonitrile with glutaronitrile or acetonitrile and also analyze the effect of dissolving lithium salts in these systems. The glutaronitrile-succinonitrile mixture has the highest conductivity, and it is the only plastic-crystal system that displays a perfect correlation between the ion drift and the on-site reorientational dynamics. Doping with lithium ions boosts the conductivity but breaks such perfect correlation. All of these features can be rationalized by assuming that conduction is due to the self-diffusion of a minority of ionized dinitrile molecules. Doping with lithium salts slows down the collective molecular dynamics while leaving the intramolecular relaxation motion unaffected. All samples exhibit a very broad melting transition and exist in a mixed liquid plus plastic state near room temperature. Some mixtures undergo phase segregation below 233 K, the transition temperature between the plastic and the fully ordered solid phase in pure succinonitrile, resulting in the appearance of a space-charge relaxation loss. Phase separation therefore plays an important role in pristine and lithium-doped succinonitrile mixtures.
dc.format.extent9 p.
dc.language.isoeng
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Enginyeria dels materials
dc.subject.lcshPlastic crystals
dc.subject.lcshElectrolytes
dc.subject.lcshIon flow dynamics
dc.subject.otherROTATIONAL-DYNAMICS
dc.subject.otherCRYSTAL ELECTROLYTE
dc.subject.otherRELAXATION DYNAMICS
dc.subject.otherSOLIDS
dc.subject.otherSALT
dc.subject.otherSCATTERING
dc.subject.otherTRANSPORT
dc.subject.otherEXCHANGE
dc.subject.otherLIQUID
dc.subject.otherCELLS
dc.titleSelf-Diffusion, Phase Behavior, and Li+ Ion Conduction in Succinonitrile-Based Plastic Cocrystals
dc.typeArticle
dc.subject.lemacCristalls plàstics
dc.subject.lemacElectròlits
dc.subject.lemacBescanvi iònic
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/acs.jpcc.5b09380
dc.rights.accessOpen Access
drac.iddocument17511411
dc.description.versionPostprint (published version)
upcommons.citation.authorZachariah, M., Romanini, M., Tripathi, P., Del Barrio, M., Tamarit, J. Ll., Macovez, R.
upcommons.citation.publishedtrue
upcommons.citation.publicationNameThe journal of physical chemistry. Part C, nanomaterials and interfaces
upcommons.citation.volume119
upcommons.citation.number49
upcommons.citation.startingPage27298
upcommons.citation.endingPage27306


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