Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach

e.s.u.) than other derivatives and NFAR1. Subsequently, the present study depicted the significance of utilizing different non-fullerene (NF)-based acceptor moieties to achieve the promising NLO material. This computational study may lead towards new plausible pathways for researchers to design potent NLO substances for impending hi-tech applications.