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Calculated optical properties of donor molecules based on benzo[1,2-b:4,5-b′]dithiophene and its derivatives

Authors: Paterno G. M.; Farina A.; Scotognella F.;

Calculated optical properties of donor molecules based on benzo[1,2-b:4,5-b′]dithiophene and its derivatives

Abstract

In this work, we study the light absorption properties of different novel molecules based on benzo[1,2-b:4,5-b′]dithiophene (BDT), namely, BT-2F, BTRCl, and BTTzR, which hold great promise as electron-donor materials in organic solar cells. By employing density functional theory, we study the electronic states and related transitions in these systems. Moreover, in the case of BTTzR, we observe that the addition of two and three oligothiophene chains to the central benzene ring of the BDT unit leads to both a red-shift of the existing peaks and, interestingly, the development of new blue-shifted features, an effect that permits to enhance the panchromaticity of the molecule in the visible spectral range, thus rendering these new derivatives highly appealing as light absorbers in organic solar cells.

Country
Italy
Keywords

absorption spectroscopy, benzene, Physics, QC1-999

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
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