RT Journal Article T1 Hole transporting materials based on benzodithiophene and dithienopyrrole cores for efficient perovskite solar cells A1 Sandoval-Torrientes, Rafael A1 Zimmermann, Iwan A1 Calbo, Joaquín A1 Aragó, Juan A1 Santos, Juan A1 Ortí, Enrique A1 Martín León, Nazario A1 Nazeeruddin, Mohammad AB The development of highly efficient hole transporting materials (HTMs) for perovskite solar cells (PSCs) is still one of the most thrilling research subjects in the development of this emerging photovoltaic technology. Inner ring engineering of the aromatic core of new HTMs –consisting in three fused rings endowed with four triarylamine units– reveals major performance effects over the fabricated devices. In particular, substitution of the central pyrrole ring in dithienopyrrole (DTP) by a benzene ring –benzodithiophene (BDT)– allows enhancing the power conversion efficiency from 15.6% to 18.1%, in devices employing mixed-perovskite (FAPbI3)0.85(MAPbBr3)0.15 (MA: CH3NH3 +, FA: NH=CHNH3 +) under 1 sun illumination. In comparison, 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) yielded 17.7%. The novel HTM molecules show an efficient quenching of the perovskite photoluminescence, indicating an efficient charge transfer from the active layer to the HTM, along with a good conductivity (comparable to that of spiro-OMeTAD reference). Density functional theory (DFT) calculations allowed rationalizing the electrochemical and optical properties, and predict a reorganization energy (λ) for the best performing BDT-based HTM (0.101 eV) significantly lower than that computed for the benchmark spiro-OMeTAD (0.139 eV). PB Royal Society of Chemistry SN 2050-7488 YR 2018 FD 2018 LK https://hdl.handle.net/20.500.14352/93371 UL https://hdl.handle.net/20.500.14352/93371 LA eng NO Sandoval-Torrientes, R., et al. «Hole Transporting Materials Based on Benzodithiophene and Dithienopyrrole Cores for Efficient Perovskite Solar Cells». Journal of Materials Chemistry A, vol. 6, n.o 14, 2018, pp. 5944-51. https://doi.org/10.1039/C7TA11314E. NO European Commission NO Comunidad de Madrid NO Ministerio de Economía y Competitividad (España) NO Generalitat Valenciana DS Docta Complutense RD 8 abr 2025