European Journal of Organic Chemistry · 2013 · 52 citations · 78 references
Natural SciencesChemistryMaterials ScienceElectrochemical EngineeringEnergy MaterialsOrganic ChemistryOrganic Electronic MaterialsOrganic SemiconductorsPhotochemistryPhotovoltaic MaterialsSolar Cell MaterialsSolar CellsDye-sensitized Solar CellsElectrochemical FunctionalizationElectrochemical Impedance AnalysisElectronic Structure AnalysisOrganic Solar CellsPower ConversionPower Conversion EfficiencySelective Functionalization
Abstract Four new D‐π‐A organic dyes incorporating either a thiazolo[5,4‐ d ]thiazole bicyclic system ( TTZ1 – 2 ) or a benzo[1,2‐ d :4,5‐ d′ ]bisthiazole tricyclic unit ( BBZ1 – 2 ) have been synthesized and fully characterized. The key steps of the synthesis include an efficient MW‐assisted preparation of the thiazolo[5,4‐ d ]thiazole core and selective functionalization of two different dihalothienyl derivatives through Suzuki coupling. All the compounds showed photo‐ and electrochemical properties compatible with their employment in dye‐sensitized solar cells. In addition, their electronic structure and transitions were investigated by means of TD‐DFT calculations. Dye‐sensitized solar cells fabricated with dye TTZ1 yielded an average power conversion efficiency corresponding to 43 and 60 % of the performances recorded under the same conditions for cells containing reference dyes N3 and D5 , respectively. Efficiency measurements and electrochemical impedance spectroscopy (EIS) experiments indicated that use of chenodeoxycholic acid (CDCA) as a co‐adsorbent was beneficial to disrupt dye‐dye interactions and slow down recombination processes within the cells, thus allowing power conversion efficiencies up to 3.53 % to be obtained.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Mohammad Khaja Nazeeruddin, Andreas Kay, I. Rodicio et al. · Journal of the American Chemical Society · 1993 · 6K citations · Full text