A Novel Density of States (DOS) for Disordered Organic Semiconductors.

In this work, we proposed a novel theory of DOS for disordered organic semiconductors based on the frontier orbital theory and probability statistics. The proposed DOS has been verified by comparing with other DOS alternatives and experimental data, and the mobility calculated by the proposed DOS is closer to experimental data than traditional DOS. Moreover, we also provide a detailed method to choose the DOS parameter for better use of the proposed DOS. This paper also contains a prediction for the DOS parameters, and it has been verified by the experimental data. More importantly, the physical meaning of the proposed DOS parameter has been explained by equilibrium energy theory and transport energy theory to make this proposed model more rational. Compared with the improved DOS based on Gaussian and exponential DOS, this work is a new attempt to combine probabilistic theory with physical theory related to DOS in disordered organic semiconductors, showing great significance for the further investigation of the properties of DOS.