The effect of branched versus linear alkyl side chains on the bulk heterojunction photovoltaic performance of small molecules containing both benzodithiophene and thienopyrroledione

Abstract

To evaluate the effect of side chain characteristics on the photovoltaic performance of small molecules containing both benzodithiophene (BDT) and thienopyrroledione (TPD), we designed and synthesized two such molecules, one containing a branched 2-ethylhexyl (2EH) side chain on the BDT unit (BDTEH-TTPD) and the other containing a linear n-octyl (C₈) side chain on the BDT unit (BDTO-TTPD). The optical and electrochemical properties and crystalline structures of these molecules were examined. Compared to BDTO-TTPD, BDTEH-TTPD showed stronger light absorption, longer-range ordering and shorter π–π stacking distances between backbones. As a result, the power conversion efficiency of a bulk heterojunction solar cell based on BDTEH-TTPD (2.40%) was substantially higher than that of the BDTO-TTPD device (1.12%).