Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications

• Published in: Journal of molecular modeling Vol. 27; no. 9; p. 237
• Main Authors: Zahid, Saba, Rasool, Alvina, Shehzad, Rao Aqil, Bhatti, Ijaz Ahmad, Iqbal, Javed
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.09.2021; Springer Nature B.V
• Subjects: Absorption; Acceptor materials; Characterization and Evaluation of Materials; Charge transfer; Chemistry; Chemistry and Materials Science; Computer Appl. in Life Sciences; Computer Applications in Chemistry; Dipole moments; Electrical properties; Electron affinity; Electron mobility; Electrons; Experimentation; Ionization potentials; Molecular Medicine; Open circuit voltage; Optical properties; Optoelectronics; Original Paper; Parameter modification; Photovoltaic cells; Solar cells; Theoretical and Computational Chemistry; Fused ring electron acceptors; Central core modification; Optical properties; Quantum simulation

Small donor molecules based on fused ring acceptors exhibit encouraging photovoltaic properties and expeditious advancement in organic solar cells. Central core modification of non-fullerene acceptor materials is a favorable methodology to enhance electronic properties and efficiency for OSCs. Herei...