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DOI: 10.1002/cssc.201903182


The anchoring group of a sensitizer may strongly affect the overall properties and stability of the resulting dye‐sensitized solar cells (DSSCs) and dye‐sensitized photoelectrosynthetic solar cells (DSPECs). The properties of seven perylene monoimide (PMI) dyes have been comprehensively studied for their immobilization on nanocrystalline NiO film. The PMI dyes differ only by the nature of the anchoring group, which are: carboxylic acid (PMI‐CO2H), phosphonic acid (PMI‐PO3H2), acetyl acetone (PMI‐acac), pyridine (PMI‐Py), aniline (PMI‐NH2), hydroxyquinoline (PMI‐HQ), and dipicolinic acid (PMI‐DPA). The dyes are investigated by cyclic voltammetry and spectroelectrochemistry and modeled by TD‐DFT quantum chemical calculations. The mode of binding of these anchoring groups is investigated by infrared spectroscopy and the stability of the binding to NiO surface is studied by desorption experiments in acidic and basic media....

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