The charge transport properties in a series of five-ring-fused thienoacenes are detailedly investigated here. With both high 3-D hole mobilities and good oxidative stability, the thiophene-benzene alternate structures in series B should be better than other two series as p-type organic semiconductors. In addition, a theoretical explanation for the difference between experimental hole mobilities in B-3 and B-3- is provided based on crystal structure prediction. The role of dynamic disorder in C-3 is also investigated here and the results indicate that dynamic disorder plays a crucial role both in the 1-D and 2-D carrier transporting process.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Materials Chemistry
- Electrical and Electronic Engineering