Control and regulation of the performance of fullerene-based dye-sensitized solar cells with a D-D-A structure by external electric fields

We investigated the modulating effect of an electric field (F-ext) on the photovoltaic properties of triphenylamine-based sensitizers with a D-D-A structure and compared the photovoltaic parameters at different electric field intensities. The results show that F-ext can effectively adjust the photoelectric properties of the molecule. From the change of the parameters that measures the degree of electron delocalization, it can be seen that the F-ext can effectively strengthen the electronic communication and promote the charge transfer process within the molecule. And the dye molecule under a strong F-ext has a narrower energy gap, more favorable injection, regeneration driving force and a larger conduction band energy level shift, which ensures that the dye molecule can exhibit larger V-oc and J(sc) under a strong F-ext. The results of calculations on the photovoltaic parameters of dye molecules show that dye molecules can exhibit better photovoltaic performance under the action of F-ext, which provides beneficial predictions and prospects for the development of highly efficient DSSCs.