Deciphering the Role of Rhodanine Flanked Non-Fullerene Acceptor Molecules for Efficient Organic Photovoltaics

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(7), P. 3314 - 3314

Published: April 2, 2025

In recent years, extensive research has been conducted with the aim of developing non-fullerene acceptors as they have a promising ability to drive development cost-effective and highly efficient organic solar cells (OSCs). By harnessing potential rhodanine-flanked (NFAs), we proposed eight new A-D-A type NFAs (SBA1-SBA8) through precise end-cap modifications on both sides bridging-core unit. We performed various advanced quantum chemical analyses unveil these designed materials' compared them synthetic reference molecule (R). The series presented lower binding excitation energy, along narrower energy gaps 2.11 eV enhanced absorption at 671.20 nm 719.88 in gaseous chloroform environments, respectively. Furthermore, optoelectronic photophysical characterizations related electrostatic potential, density states, reorganization electron hole mobilities, transition matrix analysis reveal that materials could be efficiently used acceptor for photovoltaics. Additionally, check impact charge transfer donor: (D: A) interface, studied PTB7-Th:SBA1 D:A demonstrated remarkable interface phenomenon. Therefore, engineered SBA1-SBA8 represent significant advancement sustainable effective options high-performance OSCs.

Language: Английский

Tailoring selenium alkyl chain-containing small molecule donor enables efficient ternary solar cells with reduced charge recombination

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: 513, P. 163009 - 163009

Published: April 23, 2025

Language: Английский