New non-fullerene electron acceptors-based on quinoxaline derivatives for organic photovoltaic cells: DFT computational study

In this work, we develop a new non-fullerene electron acceptor for organic photovoltaic cells. Precisely, we present a computational study of new engineered molecules-based quinoxaline derivative (R, C1-C5) using density functional theory (DFT) and time dependent-density functional theory (TD-DFT)....

Ausführliche Beschreibung