Optimizing photovoltaic performance of squaraine derivative dyes: a DFT study on different anchoring groups
Giuseppe Consiglio, Adam Gorczyński, Guido Spoto, Salvatore Petralia, Giuseppe Forte
Abstract
, and PCE values. After surface adsorption, all dyes displayed efficient electron recovery, with HOMO levels significantly dropping below -4.8 eV. Our study demonstrates that computational design can significantly enhance experimental work, offering valuable insights to improve dye design and boost the performance of dye-sensitized solar cells.
Topics & Concepts
AcenePentacenePhotovoltaic systemAnchoringPhosphonateMaterials scienceDerivative (finance)ResponsivityPhotochemistryChemistryNanotechnologyMoleculeOptoelectronicsOrganic chemistryElectrical engineeringEngineeringFinancial economicsStructural engineeringEconomicsPhotodetectorThin-film transistorLayer (electronics)TiO2 Photocatalysis and Solar CellsOrganic Electronics and PhotovoltaicsPorphyrin and Phthalocyanine Chemistry