Efficient Standalone Flexible Small Molecule Organic Solar Cell Devices: Structure-Performance Relation Among...

Currently, very few dicyano and tetracyanoquinodimethane (TCNQ) based molecules are utilized as active layers, sandwiched between the electron and hole transport layer in organic solar cell (OSC) devices. Nevertheless, simple mono- and disubstituted TCNQ derivatives as exclusively active layers are yet unexplored and provide scope for further investigation. In this study, TCNQ derivatives with varying amine substituents, namely, AEPYDQ (1), BMEDDQ (2), MATBTCNQ (3), and MITATCNQ (4), were explored as efficient standalone, flexible, all small molecule OSC devices. Particularly, 1 resulted in the highest device efficiency of 11.75% with an aromatic amine, while 2 possessing an aliphatic amine showed the lowest power conversion efficiency (PCE; 2.12%). Notably, the short circuit current density (J_SC) of device 1 increased from 2 mA/cm² in the dark to 9.12 mA/cm² under light, indicating a significant boost in the current generation. Further, 1 manifested more crystallinity than others. Interestingly, 4 exhibited a higher PCE (5.90%) than 3 (PCE is 2.58%), though 3 is disubstituted with an aromatic amine, probably attributed to the electron-withdrawing effects of the -CF₃ and -CN groups in 3 reducing the available π-electron density for stacking. Therefore, this study emphasizes crystallinity, significantly on the PCE, offering insights into the design of many such efficient OSCs.