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dc.creatorAmaya Suárez, Javieres
dc.creatorPlata Ramos, José Javieres
dc.creatorMárquez Cruz, Antonio Marciales
dc.creatorFernández Sanz, Javieres
dc.date.accessioned2017-06-16T11:16:53Z
dc.date.available2017-06-16T11:16:53Z
dc.date.issued2017
dc.identifier.citationAmaya Suárez, J., Plata Ramos, J.J., Márquez Cruz, .M. y Fernández Sanz, J. (2017). Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells. Physical Chemistry Chemical Physics, 19, 14580-.
dc.identifier.issn1463-9076es
dc.identifier.urihttp://hdl.handle.net/11441/61305
dc.description.abstractBecause of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally isolate the effect of each of them on the adsorption spectra of the system, we have modeled different Cu2S QDSCs models by means of DFT. A bottom-up approach can differentiate the effect of each component in the electronic structure and absorption spectra. First, Cu2S QDs were built including a U parameter to effectively describe the localization of the electrons. The effect of the capping agents was addressed using ligands with different electron- donating/- withdrawing groups. The role of the linkers and their adsorption of the surface of the oxide were also examined. Finally, we proposed a main indirect electron injection mechanism based on the position of the peaks of the spectra.es
dc.description.sponsorshipMinisterio de Economía y Competitividad CTQ2015-64669-Pes
dc.description.sponsorshipJunta de Andalucía P12-FQM-1595es
dc.formatapplication/pdfes
dc.language.isoenges
dc.publisherRoyal Society of Chemistryes
dc.relation.ispartofPhysical Chemistry Chemical Physics, 19, 14580-.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleEffects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cellses
dc.typeinfo:eu-repo/semantics/articlees
dc.type.versioninfo:eu-repo/semantics/acceptedVersiones
dc.rights.accessrightsinfo:eu-repo/semantics/openAccesses
dc.contributor.affiliationUniversidad de Sevilla. Departamento de Química Físicaes
dc.relation.projectIDinfo:eu-repo/grantAgreement/MINECO/CTQ2015-64669-Pes
dc.relation.projectIDP12-FQM-1595es
dc.relation.publisherversion10.1039/c7cp01076aes
dc.identifier.doihttp://dx.doi.org/10.1039/c7cp01076aes
idus.format.extent7 p.es
dc.journaltitlePhysical Chemistry Chemical Physicses
dc.publication.volumen19es
dc.publication.initialPage14580es
dc.contributor.funderMinisterio de Economía y Competitividad (MINECO). España
dc.contributor.funderJunta de Andalucía

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