dc.creator | Amaya Suárez, Javier | es |
dc.creator | Plata Ramos, José Javier | es |
dc.creator | Márquez Cruz, Antonio Marcial | es |
dc.creator | Fernández Sanz, Javier | es |
dc.date.accessioned | 2017-06-16T11:16:53Z | |
dc.date.available | 2017-06-16T11:16:53Z | |
dc.date.issued | 2017 | |
dc.identifier.citation | Amaya 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.issn | 1463-9076 | es |
dc.identifier.uri | http://hdl.handle.net/11441/61305 | |
dc.description.abstract | Because 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.sponsorship | Ministerio de Economía y Competitividad CTQ2015-64669-P | es |
dc.description.sponsorship | Junta de Andalucía P12-FQM-1595 | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | Royal Society of Chemistry | es |
dc.relation.ispartof | Physical Chemistry Chemical Physics, 19, 14580-. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/acceptedVersion | es |
dc.rights.accessrights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Física | es |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO/CTQ2015-64669-P | es |
dc.relation.projectID | P12-FQM-1595 | es |
dc.relation.publisherversion | 10.1039/c7cp01076a | es |
dc.identifier.doi | http://dx.doi.org/10.1039/c7cp01076a | es |
idus.format.extent | 7 p. | es |
dc.journaltitle | Physical Chemistry Chemical Physics | es |
dc.publication.volumen | 19 | es |
dc.publication.initialPage | 14580 | es |
dc.contributor.funder | Ministerio de Economía y Competitividad (MINECO). España | |
dc.contributor.funder | Junta de Andalucía | |