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.
@article{arxiv.2101.05035,
title = {Calculated optical properties of BTTzR donor molecule and its derivatives},
author = {Giuseppe Maria Paternò and Andrea Farina and Francesco Scotognella},
journal= {arXiv preprint arXiv:2101.05035},
year = {2021}
}