RT Journal Article T1 Heteroatom Effect on Star-Shaped Hole-Transporting Materials for Perovskite Solar Cells A1 García Benito, Inés A1 Zimmermann, Iwan A1 Urieta Mora, Javier A1 Aragó, Juan A1 Calbo, Joaquín A1 Perles Hernáez, Josefina A1 Sebastián Serrano, Álvaro A1 Serrano, Alvaro A1 Molina Ontoria, Agustín A1 Ortí, Enrique A1 Martín León, Nazario A1 Nazeeruddin, Mohammad Khaja AB Three new star-shaped hole-transporting materials (HTMs) incorporatingbenzotripyrrole, benzotrifuran, and benzotriselenophene central cores endowedwith three-armed triphenylamine moieties (BTP-1, BTF-1, and BTSe-1, respec-tively) are designed, synthesized, and implemented in perovskite solar cells(PSCs). The impact that the heteroatom-containing central scaffold has on theelectrochemical and photophysical properties, as well as on the photovoltaicperformance, is systematically investigated and compared with their sulfur-richanalogue (BTT-3). The new HTMs exhibit suitable highest-occupied molecularorbitals (HOMO) levels regarding the valence band of the perovskite, whichensure efficient hole extraction at the perovskite/HTM interface. The molecularstructures of BTF-1, BTT-3, and BTSe-1 are fully elucidated by single-crystal X-raycrystallography as toluene solvates. The optimized (FAPbI3)0.85(MAPbBr3)0.15-based perovskite solar cells employing the tailor-made, chalcogenide-basedHTMs exhibit remarkable power conversion efficiencies up to 18.5%, which arecomparable to the devices based on the benchmark spiro-OMeTAD. PSCs withBTP-1 exhibit a more limited power conversion efficiency of 15.5%, with notice-able hysteresis. This systematic study indicates that chalcogenide-based deriva-tives are promising HTM candidates to compete efficiently with spiro-OMeTAD. PB Wiley-VCH Verlag YR 2018 FD 2018-06-05 LK https://hdl.handle.net/20.500.14352/108439 UL https://hdl.handle.net/20.500.14352/108439 LA eng NO I. García-Benito, I. Zimmermann, J. Urieta-Mora, J. Aragó, J. Calbo, J. Perles, A. Serrano, A. Molina-Ontoria, E. Ortí, N. Martín, M. K. Nazeeruddin, Adv. Funct. Mater. 2018, 28, 1801734. NO European Commission NO Ministerio de Economía, Comercio y Empresa NO Comunidad de Madrid NO Generalitat Valenciana NO European Research Council DS Docta Complutense RD 6 abr 2025