Solution-Processable Triindoles as Hole Selective Materials in Organic Solar Cells

We report the use of two solution-processable triindoles, triazatruxene (TAT), and N-trimethyltriindole (TMTI), as hole selective materials in organic solar cells. The unique optical and electronic properties of these molecules make them suitable as a hole extracting/electron blocking layer, i.e. transparency in the visible region due to a wide bandgap, high LUMO (lowest unoccupied molecular orbital) energy level, modest HOMO (highest occupied molecular orbital) level, and high hole carrier mobility. TAT is shown to have a LUMO at -1.68 eV, a HOMO at -5.03 eV, and a bandgap of 3.35 eV, whereas TMTI has a LUMO at -2.05 eV, a HOMO at -5.1 eV, and a bandgap of 3.05 eV, obtained from cyclic voltammetry measurements and absorption spectroscopy. Planar heterojunction photovoltaic devices, consisting of a solution processed transparent TAT (or TMTI) layer and a vapor-deposited C60 layer, exhibited efficiencies of up to 0.71 % (or 0.87 %). In these bilayer devices, the excitons are primarily generated in the C60 layer and undergo dissociation in the interfaces via hole transfer from the C60 layer to the TAT (or TMTI) layer. Additionally, spin-casting methanol solution of TAT on the top of P3HT:PCBM bulk heterojunction in an inverted device produced a hole selective interfacial layer between the photoactive layer and anode, leading to a 26% efficiency increase as compared to a control device without the TAT layer.