Pentacene-fullerene bulk-heterojunction solar cell: A computational study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33157011" target="_blank" >RIV/61989592:15310/15:33157011 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0375960115001012" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0375960115001012</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physleta.2015.01.040" target="_blank" >10.1016/j.physleta.2015.01.040</a>

Result language
angličtina
Original language name
Pentacene-fullerene bulk-heterojunction solar cell: A computational study
Original language description
We perform DFF/TDDFT calculations to study the optoelectronic properties of some pentacene-based organic molecules and their derivatives, which can serve as donor moiety when blended with fullerene acceptors in the bulk-heterojunction solar cell model. We are motivated by a recent experiment in which an unoptimized device was shown to have a good photovoltaic performance and we aim to further improve the efficiency of this device. We try to optimize the photovoltaic properties on the basis of a quantum-mechanical calculation of the frontier energy levels and of the absorption properties of individual molecules and of the molecule-fullerine composite.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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