Simokaitiene, JurateCekaviciute, MonikaBaucyte, KristinaVolyniuk, DmytroDurgaryan, RanushMolina, DesireYang, BowenSuo, JiajiaKim, YeonJuda Silva Filho, Demetrio AntonioHagfeldt, AndersSini, GjergjiGrazulevicius, Juozas, V2021-06-192021-06-192021-06-192021-05-1210.1021/acsami.1c03000https://infoscience.epfl.ch/handle/20.500.14299/179242WOS:000651750000038Here, we report on three new triphenylamine-based enamines synthesized by condensation of an appropriate primary amine with 2,2-diphenylacetaldehyde and characterized by experimental techniques and density functional theory (DFT) computations. Experimental results allow highlighting attractive properties including solid-state ionization potential in the range of 5.33-5.69 eV in solid-state and hole mobilities exceeding 10(-3) cm(2)/V.s, which are higher than those in spiro-OMeTAD at the same electric fields. DFT-based analysis points to the presence of several conformers close in energy at room temperature. The newly synthesized hole-transporting materials (HTMs) were used in perovskite solar cells and exhibited performances comparable to that of spiro-OMeTAD. The device containing one newly synthesized hole-transporting enamine was characterized by a power conversion efficiency of 18.4%. Our analysis indicates that the perovskite-HTM interface dominates the properties of perovskite solar cells. PL measurements indicate smaller efficiency for perovskite-to-new HTM hole transfer as compared to spiro-OMeTAD. Nevertheless, the comparable power conversion efficiencies and simple synthesis of the new compounds make them attractive candidates for utilization in perovskite solar cells.Nanoscience & NanotechnologyMaterials Science, MultidisciplinaryScience & Technology - Other TopicsMaterials Sciencetriphenylamineenaminespiro-ometadhole mobilitytime of flightperovskite solar celltheoretical characterizationorganic semiconductorscharge-transportderivativesfunctionalsefficiencystatetext::journal::journal article::research article