Synergistic charge-transfer dynamics of novel pyridoquinazolindone-containing triphenylamine-based push–pull chromophores: from structural optimization to performance metrics in photovoltaic solar cells and static, dynamic, solvent-dependent nonlinear optical response applications

This is the authors' abstract. We don't add key points for this paper.

) of 0.191. In addition to these analyses, we performed topologic studies, such as TDM, ELF, NCI, MEP, LOL, and electron-hole overlap plots to better understand both intra and intermolecular interactions. Based on these results, it is clear that modifying longer π-linker groups in A-D-π-A conjugated systems benefits the optoelectronic characteristics and NLO responses for organic PV devices.