Marcus Theory and Tunneling Method for the Electron Transfer Rate Analysis in Quantum Dot Sensitized Solar Cells in the Presence of Blocking Layer

In this research study, the effects of different parameters on the electron transfer rate from three quantum dots (QDs), CdSe, CdS, and CdTe, on three metal oxides (MOs), TiOmbox2, SnOmbox2, and SnOmbox2, in quantum-dot-sensitized solar cells (QDSSCs) with porous structures in the presence of four types of blocking layers, ZnS, ZnO, TiOmbox2, and Almbox2Ombox3, are modeled and simulated using the Marcus theory and tunneling between two spheres for the first time. Here, the studied parameters include the change in the type and thickness of the blocking layer, the diameter of the QD, and the temperature effect. To model the effect of the blocking layer on the QD, the effective sphere method is used, and by applying it into the Marcus theory equation and the tunneling method, the electron transfer rate is calculated and analyzed. The obtained results in a wide range of temperatures of 250-400 degrees K demonstrate that, based on the composition of the MO-QD, the increase in the temperature could reduce or increase the electron transfer rate, and the change in the QD diameter could exacerbate the effects of the temperature. In addition, the results show which type and thickness of the blocking layer can achieve the highest electron transfer rate. In order to test the accuracy of the simulation method, we calculate the electron transfer rate in the presence of a blocking layer for a reported sample of a QDSSC manufacturing work, which was obtained with an error of similar to 3%. The results can be used to better interpret the experimental observations and to assist with the design and selection of the appropriate combination of MO-QD in the presence of a blocking layer effect.

Automated summary

This research study models and simulates the effects of different parameters on the electron transfer rate in quantum-dot-sensitized solar cells, including the type and thickness of the blocking layer, the diameter of the quantum dots, and the temperature. The results show that the temperature can either decrease or increase the electron transfer rate, depending on the composition of the metal oxide-quantum dot combination. Additionally, the study identifies the blocking layer type and thickness that can achieve the highest electron transfer rate.