Effect of substituent in the acceptor on optical and electronic properties of triphenylamine based dyes: A density functional theory/time-dependent density functional theory investigation
Geradius Deogratias, Ohoud S. Al−Qurashi, Nuha Wazzan, Tatiana Pogrebnaya, Alexander Pogrebnoi
Topics & Concepts
Density functional theoryTriphenylamineTime-dependent density functional theorySubstituentPhotochemistryAcceptorMaterials scienceBenzothiazoleHeteroatomChalcogenAbsorption (acoustics)Computational chemistryChemistryCrystallographyOrganic chemistryCondensed matter physicsRing (chemistry)Composite materialPhysicsTiO2 Photocatalysis and Solar CellsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And Properties