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.

Automated summary

In this study, a novel theory of density of states (DOS) for disordered organic semiconductors based on the frontier orbital theory and probability statistics is proposed. The proposed DOS is verified by comparing with other alternatives and experimental data, and the calculated mobility using the proposed DOS is found to be closer to experimental data than traditional DOS. A detailed method for choosing the DOS parameter is provided for better utilization of the proposed DOS. The prediction of the DOS parameters and their physical meaning are also discussed and verified by experimental data. This work presents a new attempt to combine probabilistic theory with physical theory regarding DOS in disordered organic semiconductors, and is of great significance for further investigation of DOS properties.