DFT and TDDFT investigation of four triphenylamine/phenothiazine-based molecules as potential novel organic hole transport materials for perovskite solar cells
Carmen Coppola, Rossella Infantino, Alessio Dessì, Lorenzo Zani, Maria Laura Parisi, Alessandro Mordini, Gianna Reginato, Riccardo Basosi, Adalgisa Sinicropi
Topics & Concepts
TriphenylaminePhenothiazineTime-dependent density functional theoryPerovskite (structure)Materials scienceDensity functional theoryMoleculeSmall moleculeNanotechnologyCombinatorial chemistryChemistryComputational chemistryOptoelectronicsOrganic chemistryPharmacologyBiochemistryMedicinePerovskite Materials and ApplicationsOrganic Light-Emitting Diodes ResearchConducting polymers and applications