Synthesis, characterization, and theoretical studies of the photovoltaic properties of novel reactive azonitrobenzaldehyde derivatives
Hitler Louis, Izubundu B. Onyebuenyi, Joseph O. Odey, Azuaga T. Igbalagh, MaryJane T. Mbonu, Ededet A. Eno, Anthony M.S. Pembere, Offiong E. Offiong
Abstract
for dyes B and D is greatest in all the four phases and thus, provided the highest electron injection of all the dyes. From the fact-findings of quantum theory of atoms-in-molecules (QTAIM), dyes A and C have extra-stability due to their relatively high numbers of intramolecular H-bond interactions along with some additional intra-atomic bonding between atoms within the studied compounds. Hence, all the four dyes are good for DSSCs applications.
Topics & Concepts
HOMO/LUMOSolvatochromismDensity functional theoryNatural bond orbitalDye-sensitized solar cellChemistryDelocalized electronMolecular orbitalAbsorption (acoustics)Band gapPhotochemistryComputational chemistryAbsorption spectroscopyPhysical chemistryMoleculeMaterials scienceOrganic chemistryElectrolyteQuantum mechanicsElectrodeComposite materialOptoelectronicsPhysicsTiO2 Photocatalysis and Solar CellsPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry