Molecular engineering of D-π-A-type structures based on nitrobenzofurazan (NBD) derivatives for both organic solar cells and nonlinear optical response

• Published in: Journal of molecular liquids Vol. 395; p. 123934
• Main Authors: Abdelaziz, Balkis, Mazouz, Zouhour, Gassoumi, Bouzid, Boukortt, Nour El Islam, Patanè, Salvatore, Ayachi, Sahbi
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.02.2024
• Subjects: ASF; DFT; ELE; LOL; NBO; Nitrobenzofurazan; OSCs; RDG; OSCs; DFT; ASF; RDG; LOL; Nitrobenzofurazan; NBO; ELE

[Display omitted] •Designed D-π-A-type structures from NBDs for both organic solar cells and nonlinear optical response.•NBD derivatives exhibit anti-Stokes fluorescence (ASF) emission.•We computed NBO, QTAIM, NCI, and RDG to understand the nature and type of intermolecular interactions stabilizing...