Exploration of the effect of different terminal acceptors to improve the efficacy of pyrrolopyrazine-based compounds for organic solar cells: a quantum chemical approach - Haq, Saadia; Ahsan, Amaha; Jabbar, Aiman; Irshad, Iram; Haroon, Muhammad; Bullo, Saifullah; Alhokbany, Norah (Journal of computational electronics, 2025)
Keywords: Absorption; Architecture; Charge transfer; Density functional theory; Density of states; Electrical Engineering; Energy; Energy gap; Engineering; Investigations; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mechanical Engineering; Molecular orbitals; Nitrogen dioxide; Open circuit voltage; Optical and Electronic Materials; Photovoltaic cells; Quantum chemistry; Software; Solar cells; Theoretical; Non-fullerene acceptors; DFT; Organic solar cells; Pyrrolopyrazine; Photovoltaic properties