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Triphenylamine-functionalized corrole sensitizers for solar-cell applications
New corrole sensitizers having a triphenylamine moiety at the –meso position and a carboxylic anchoring group at the pyrroleb position, in both free-base and copper complex forms, have been designed, synthesized, and tried as sensitizers in dyesensitized solar cells. All the substituted carboxy-corroles were completely characterized from structural, optical and electrochemical points of view. Computational investigations by means of density functional theory (DFT) and time-dependent-DFT (TD-DFT) calculations have been carried out, in order to give a deep insight into the charge-injection process. Quite low photovoltaic performances were obtained, particularly for the investigated copper complexes, possibly due to an unfavorable energy-level alignment between the dye’s injecting states and
TiO2 conduction band, limiting the charge injection and thus the photocurrent extracted from the devices. Our study may
provide the guidelines for future development of more efficient solar-cell sensitizers. Scheme of a dye-sensitized solar cell (DSC) based on a triphenylamine-corrole dye and a I–/I3 – electrolyte.
Keywords corrole, density functional theory, dye-sensitized solar cell, energy-level alignment, triphenylamine
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