The role of electronic excitations in solution-processed oligothiophene small-molecules for organic solar cells from first-principles

Fabrizio GALA, Sapienza University of Rome

Nowadays organic photovoltaic materials are considered as promising alternatives to silicon for next-generation solar cells suitable for the green economy. Organic cells, indeed, have many appealing properties such as low fabrication cost, solution processability, transparency, and flexibility.

The aim of the present contribution is to highlight the importance of theoretical molecular modelling in the field of material science, aiming to investigate and elucidate the quantum character of the physical phenomena at the nanoscale.

As a prototypical case, I will show how quantum many body perturbation theory (MBPT) reconstructs with high accuracy the absorption spectra of small oligo-thiophene molecules suitable for bulk heterojunctions solar cells fabrication.

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