All-Small-Molecule Ternary Organic Solar Cell with 16.35% Efficiency Enabled by Chlorinated Terminal Units

Abstract

In the last few years, there have been notable developments in organic solar cells using both small molecule donor and acceptor. It has been noted that adding halogens to the end groups of small molecules could enhance the film structure and, consequently, the performance of the devices. In this study, three novel small molecule donors are created. The molecules include a vinyl-CPDT oligomer with three units, with end-caps made up of indanedione groups and containing four H, four Cl, and four F substituents. The purpose of the study is to investigate how the halogen substituent affects the photovoltaic characteristics of binary devices made with the non-fullerene acceptor (NFA) TOCR2 as the acceptor. Having the halogen in the device enhances its effectiveness, and FG5, which has 4-Cl substituents in the end groups, shows the highest efficiency among all devices with a PCE of 14.39%. Incredibly, the ternary device that is created in normal atmospheric conditions with chloro-substituted FG5 as the donor, TOCR2 as the acceptor, and the wide band gap NFA DICTF as the third element shows significantly improved efficiency, achieving PCE values of up to 16.35%.