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arXiv · 2101.05035

Calculated optical properties of BTTzR donor molecule and its derivatives

Giuseppe Maria Paternò·Andrea Farina·Francesco Scotognella
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Abstract

In this work, we study the light absorption properties of a novel molecule (BTTzR) and its more extended derivatives, which hold promise as electron-donor material in organic solar cells. By employing density functional theory, we observe that the addition of two and three oligothiophene chains to the central benzene ring of the benzo[1,2-b:4,5-b']dithiophene (BDT-T) leads to both a red-shift of the existing peaks and, interestingly, to the development of new blue-shifted features, an effect that can certainly increase the panchromaticity of the molecule in the visible spectral range.

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Giuseppe Maria Paternò, Andrea Farina, Francesco Scotognella. 2021-02-19. Calculated optical properties of BTTzR donor molecule and its derivatives. https://arxiv.org/abs/2101.05035

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