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Experimental and computational study of conductivity of multilayer graphene in polypropylene nanocomposites

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Experimental and computational study of conductivity of multilayer graphene in polypropylene nanocomposites

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dc.contributor.author del Castillo, Roxana M. es_ES
dc.contributor.author del Castillo, Luis F. es_ES
dc.contributor.author Calles, Alipio G. es_ES
dc.contributor.author Compañ Moreno, Vicente es_ES
dc.date.accessioned 2020-06-12T03:33:54Z
dc.date.available 2020-06-12T03:33:54Z
dc.date.issued 2018-07-21 es_ES
dc.identifier.issn 2050-7526 es_ES
dc.identifier.uri http://hdl.handle.net/10251/146179
dc.description.abstract [EN] We study the electric conductivity of compounds formed by multilayer graphene in polypropylene. Our study makes a comparative analysis between the experimental and computational results. To obtain an experimental measurement of the electronic properties, we deposited multilayer graphene (MLG) nanoparticles over a polypropylene matrix. The deposition was made over several stages, in which we added to the polymer matrix different percentages of MLG nanoparticles using the melt compounding technique, and we studied the conductivities of the nanocomposites by means of electrochemical impedance spectroscopy (EIS). The second part consists of computational calculations, in which we studied the electronic properties of a graphene sheet under a polypropylene molecule with different slabs in the monomer. In both analyses, there is a strong percolation phenomenon with a percolation threshold of around 18% of the MLG nanoparticles. Before the percolation threshold, the charge carriers are constrained in the polypropylene molecule, making the system an insulating material and creating p-type doping. After the percolation threshold, the charge carriers are constrained in the graphene, making the system a conductor material and creating n-type doping with conductivity values of around 20 S m(-1). This phenomenon is a consequence of a change in the mechanism of charge transfer in the interface between the polypropylene molecule and graphene sheet. To describe the charge transfer mechanism, it is necessary to consider the quantum effect. The incorporation of the quantum effects and the percolation phenomenon make it possible for the theoretical conductivity to be close to the conductivity measured experimentally. es_ES
dc.description.sponsorship This research has been supported by the ENE/2015-69203-R project, granted by the Ministerio de Economia y Competitividad (MINECO), Spain. Also, the authors are grateful to UNAM-DGAPA-PAPIIT projects IG 100618 y IG 114818, DGTIC-UNAM for access to the Miztli-UNAM supercomputer LANCAD-UNAM-DGTIC-055, and UNAM-DGAPA for the Postdoctoral grant for Roxana M. del Castillo. es_ES
dc.language Inglés es_ES
dc.publisher The Royal Society of Chemistry es_ES
dc.relation.ispartof Journal of Materials Chemistry C es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject.classification MAQUINAS Y MOTORES TERMICOS es_ES
dc.title Experimental and computational study of conductivity of multilayer graphene in polypropylene nanocomposites es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1039/c8tc01135d es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UNAM//IG100618/MX/Separación adsortiva de olefinas y parafinas/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UNAM//IG114818/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//ENE2015-69203-R/ES/DESARROLLO Y EVALUACION DE NUEVAS MEMBRANAS POLIMERICAS REFORZADAS CON NANOFIBRAS PARA SU APLICACION EN PILAS DE COMBUSTIBLE CON ELEVADA ESTABILIDAD TERMICA/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Termodinámica Aplicada - Departament de Termodinàmica Aplicada es_ES
dc.description.bibliographicCitation Del Castillo, RM.; Del Castillo, LF.; Calles, AG.; Compañ Moreno, V. (2018). Experimental and computational study of conductivity of multilayer graphene in polypropylene nanocomposites. Journal of Materials Chemistry C. 6:7232-7241. https://doi.org/10.1039/c8tc01135d es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1039/c8tc01135d es_ES
dc.description.upvformatpinicio 7232 es_ES
dc.description.upvformatpfin 7241 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 6 es_ES
dc.relation.pasarela S\372356 es_ES
dc.contributor.funder Universidad Nacional Autónoma de México es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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