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This presentation explores the optimization of dye-sensitized solar cells (DSSCs) through a mechanistic framework of field-controlled charge transfer. It highlights the role of Zn-porphyrins in enhancing performance via broad absorption and stability. The model system focuses on a push-pull Zn-porphyrin dye, detailing its electronic structure and charge transfer dynamics. Advanced computational methods, including DFT and TD-DFT, are employed to analyze energy levels and device metrics,...