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Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells

dc.contributor.authorInostroza N.
dc.contributor.authorMendizabal F.
dc.contributor.authorArratia-Pérez R.
dc.contributor.authorOrellana C.
dc.contributor.authorLinares-Flores C.
dc.date.accessioned2020-09-02T22:20:38Z
dc.date.available2020-09-02T22:20:38Z
dc.date.issued2016
dc.identifier10.1007/s00894-015-2893-9
dc.identifier.citation22, 1, 1-7
dc.identifier.issn16102940
dc.identifier.urihttps://hdl.handle.net/20.500.12728/4946
dc.descriptionWe report a computational study of a series of organic dyes built with triphenylamine (TPA) as an electron donor group. We designed a set of six dyes called (TPA-n, where n = 0–5). In order to enhance the electron-injection process, the electron-donor effect of some specific substituent was studied. Thus, we gave insights into the rational design of organic TPA-based chromophores for use in dye-sensitized solar cells (DSSCs). In addition, we report the HOMO, LUMO, the calculated excited state oxidized potential Edye*(eV) and the free energy change for electron-injection ΔGinject(eV), and the UV-visible absorption bands for TPA-n dyes by a time-dependent density functional theory (TDDFT) procedure at the B3LYP and CAM-B3LYP levels with solvent effect. The results demonstrate that the introduction of the electron-acceptor groups produces an intramolecular charge transfer showing a shift of the absorption wavelengths of TPA-n under studies. [Figure not available: see fulltext.] © 2016, Springer-Verlag Berlin Heidelberg.
dc.language.isoen
dc.publisherSpringer Verlag
dc.subjectDensity functional theory
dc.subjectElectronic absorption spectra
dc.subjectMolecular design
dc.subjectOrganic dye-sensitized solar cells
dc.subjectaniline
dc.subjecttriphenylamine
dc.subjectunclassified drug
dc.subjectcoloring agent
dc.subjectterphenyl derivative
dc.subjectabsorption
dc.subjectArticle
dc.subjectchromatophore
dc.subjectdensity functional theory
dc.subjectdonor
dc.subjectdye sensitized solar cell
dc.subjectelectrical equipment
dc.subjectelectron
dc.subjectpriority journal
dc.subjectsemiconductor
dc.subjectultraviolet radiation
dc.subjectchemistry
dc.subjectsolar energy
dc.subjectColoring Agents
dc.subjectSolar Energy
dc.subjectTerphenyl Compounds
dc.titleImprovement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells
dc.typeArticle


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