Effects of Several Auxiliary Acceptors and Anchoring Groups on Charge Transfer and Photophysical Properties of D-A-π-A Type DSSCs: A DFT Study
Mingjianshuo Gong, Lingpeng Zeng, Wenbo Wang, Xuanchen Dong, Zhenshuo Yu, Songhao Wang, Yi Yang
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ChemistryHOMO/LUMODensity functional theoryEnergy conversion efficiencyDye-sensitized solar cellTime-dependent density functional theoryDihedral angleMolecular orbitalAbsorption spectroscopyPhotochemistryAbsorption (acoustics)AcceptorMarcus theoryAtomic orbitalComputational chemistryElectronMoleculePhysical chemistryOptoelectronicsHydrogen bondOpticsOrganic chemistryMaterials scienceReaction rate constantElectrodeElectrolytePhysicsQuantum mechanicsCondensed matter physicsKineticsQuantum Dots Synthesis And PropertiesTiO2 Photocatalysis and Solar CellsConducting polymers and applications