Design of a D-π-A-A framework with various auxiliary acceptors on optoelectronic and charge transfer properties for efficient dyes in DSSCs: A DFT/TD-DFT study
Lala Adetia Marlina, Winarto Haryadi, Harno Dwi Pranowo
Topics & Concepts
Density functional theoryTime-dependent density functional theoryMaterials scienceOscillator strengthHOMO/LUMOAbsorption (acoustics)Band gapAcceptorAbsorption spectroscopyIntramolecular forcePhotochemistrySpectral lineOptoelectronicsChemistryComputational chemistryMoleculePhysicsOpticsStereochemistryCondensed matter physicsComposite materialAstronomyOrganic chemistryPorphyrin and Phthalocyanine ChemistryTiO2 Photocatalysis and Solar CellsTransition Metal Oxide Nanomaterials