Study of transportation of exctions on poly 3-hexylthiophene

In order to explain the transport and mobility of excitons, based on quantum theory, the hydrogen-like atom wave function and modification of effective charges were used to find out energy levels of poly 3-hexylthiophene (P3HT). As a result, the performance of organic solar cells can be inferred from the derived absorption character of organic material. The results are perfectly coincided with experimental data. The main absorption peak of P3HT is around 550nm, but excitons simulated by photons around 550nm can not hop to donor/acceptor (D/A) interface, which have no contribution to the Power Conversion Efficiency (PCE). Meanwhile, effective mass was used to explain the mobilities of holes. It indicates that a new structure of material which can improve the mobility of holes by enhancing the molecular conjugation and decreasing the branches.