Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approach

With the aim to enhance the photovoltaic properties of organic solar cells (OSCs), seven new non-fullerene acceptors ( K1 – K7 ) have been designed by end-group modifications of benzo[2,1-b:3,4-b’]bis(4H-dithieno[3,2-b:2’,3’-d]pyrrole) (BDP)–based small molecule “MH” (which is taken as our reference...

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