Harnessing sunlight to produce electricity is the most sustainable form of alternative energy. Apart from commercial silicon solar cells, organic solar cells (OSCs) have great potential due to their flexibility, processability and cost. To improve device performance, broadband absorption, electrical mobility and charge separation are the key components for optimization. Although discrete efforts have been dedicated to comprehending the role of different chemical structures on their power conversion efficiencies (PCE), a systematic screening of multiple structural factors on PCE has not been reported. Herein, we shortlisted rylene diimides as model acceptors in OSCs and demonstrated the role of (a) expanding the rylene core (pyromellitic to bisazulene)
(b) changing the ring size (five-member and six-member) and positions (2,3-