dc.contributor.editor | Sánchez de Armas, María Rocío | es |
dc.creator | Sánchez de Armas, María Rocío | es |
dc.creator | San Miguel Barrera, Miguel Ángel | es |
dc.creator | Oviedo López, Jaime | es |
dc.creator | Fernández Sanz, Javier | es |
dc.date.accessioned | 2020-04-23T09:50:02Z | |
dc.date.available | 2020-04-23T09:50:02Z | |
dc.date.issued | 2012-05 | |
dc.identifier.citation | Sánchez de Armas, M.R., San Miguel Barrera, M.Á., Oviedo López, J. y Fernández Sanz, J. (2012). Molecular modification of coumarin dyes for more efficient dye sensitized solar cells. The Journal of Chemical Physics, 136 (19), 194702. | |
dc.identifier.issn | 0021-9606 | es |
dc.identifier.issn | 1089-7690 | es |
dc.identifier.uri | https://hdl.handle.net/11441/95643 | |
dc.description | solo para uso personal | |
dc.description.abstract | In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed
by introducing several substituent groups in different positions of the NKX-2311 structure. Two
types of substitutions have been considered: the introduction of three electron-donating groups
(–OH, –NH2, and –OCH3) and two different substituents with steric effect: –CH2–CH2–CH2– and
–CH2–HC=CH–. The electronic absorption spectra (position and width of the first band and absorption threshold) and the position of the LUMO level related to the conduction band have been
used as theoretical criteria to evaluate the efficiency of the new dyes. The introduction of a –NH2
group produces a redshift of the absorption maximum position and the absorption threshold, which
could improve the cell efficiency. In contrast, the introduction of –CH2–CH2–CH2– does not modify
significantly the electronic structure of NKX-2311, but it might prevent aggregation. Finally, –CH2–
HC=CH– produces important changes both in the electronic spectrum and in the electronic structure
of the dye, and it would be expected as an improvement of cell efficiency for these dyes. | es |
dc.description.sponsorship | Ministerio de Ciencia e Innovación de España-MAT2008-4918 y CSD2008-0023 | es |
dc.format | application/pdf | es |
dc.format.extent | 8 p. | es |
dc.language.iso | eng | es |
dc.publisher | AIP Publishing | es |
dc.relation.ispartof | The Journal of Chemical Physics, 136 (19), 194702. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Molecular modification of coumarin dyes for more efficient dye sensitized solar cells | es |
dc.type | info:eu-repo/semantics/article | es |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Física | es |
dc.relation.projectID | MAT2008-4918 | es |
dc.relation.projectID | CSD2008-0023 | es |
dc.relation.publisherversion | https://aip.scitation.org/doi/10.1063/1.4711049 | es |
dc.identifier.doi | 10.1063/1.4711049 | es |
dc.journaltitle | The Journal of Chemical Physics | es |
dc.publication.volumen | 136 | es |
dc.publication.issue | 19 | es |
dc.publication.initialPage | 194702 | es |
dc.contributor.funder | Ministerio de Ciencia e Innovación (MICIN). España | |