Boosting the Efficiency of Organic Solar Cells by Tuning the Optoelectronic Properties of Fluoranthene based Hole Transport materials via End Group Modification Technique

To explore the photovoltaic and optoelectronic properties, a series of distinct para-substituted triphenylamine-based five-donor molecules (FBA1-FBA5) has been designed. The results show that the designed chromophores exhibit excellent effectiveness, with the highest red shift in the absorption spectrum, which entails appropriate photophysical attributes, high solubility, and a lower HOMO-LUMO energy gap (as a consequence of ionization potential), compared to the reported reference (FBR). The results ensure that the appropriate adjustment of the HOMO levels of HTMs enables the reduction of an energy barrier at the interface of an HTL and an ETL that injects a high hole vaccination and transportation rate. On the other hand, appropriate adjustment of the LUMO level prevents an electron leak from the electron transport layer (ETL) into the HTMs. Moreover, higher dipole moment, low reorganization energy and comparable estimated open circuit voltage (VOC), make all freshly formulated molecules an efficient insight for fabrication of HTMs in perovskite and donors for organic solar cells for device working efficiency

Arifa Murtaza, Ijaz Ahmad Bhatti, Javed Iqbal and Muhammad Yaseen