RT Journal Article T1 Hole-Transporting Materials for Perovskite Solar Cells Employing an Anthradithiophene Core A1 Santos Barahona, José Manuel A1 Calbo, Joaquín A1 Sandoval-Torrientes, Rafael A1 García Benito, Inés A1 Kanda, Hiroyuki A1 Zimmermann, Iwan A1 Aragó, Juan A1 Nazeeruddin, Mohammad Khaja A1 Ortí, Enrique A1 Martín León, Nazario AB A decade after the report of the first efficient perovskite-based solar cell, development of novel hole-transporting materials (HTMs) is still one of the main topics in this research field. Two of the main advance vectors of this topic lie in obtaining materials with enhanced hole-extracting capability and in easing their synthetic cost. The use of anthra[1,9-bc:5,10-b′c′]dithiophene (ADT) as a flat π-conjugated frame for bearing arylamine electroactive moieties allows obtaining two novel highly efficient HTMs from very cheap precursors. The solar cells fabricated making use of the mixed composition (FAPbI3)0.85(MAPbBr3)0.15 perovskite and the novel ADT-based HTMs show power conversion efficiencies up to 17.6% under 1 sun illumination compared to the 18.1% observed when using the benchmark compound 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD). Detailed density functional theory calculations allow rationalization of the observed opto-electrochemical properties and predict a flat molecular structure with a low reorganization energy that supports the high conductivity measured for the best-performing HTM. PB American Chemical Society SN 1944-8244 YR 2021 FD 2021 LK https://hdl.handle.net/20.500.14352/93438 UL https://hdl.handle.net/20.500.14352/93438 LA eng NO Santos, J.; Calbo, J.; Sandoval-Torrientes, R.; García-Benito, I.; Kanda, H.; Zimmermann, I.; Aragó, J.; Nazeeruddin, M. K.; Ortí, E.; Martín, N. Hole-Transporting Materials for Perovskite Solar Cells Employing an Anthradithiophene Core. ACS Appl. Mater. Interfaces 2021, 13, 28214-28221 DOI:10.1021/acsami.1c05890. NO Ministerio de Ciencia, Innovación y Universidades (España) NO Generalitat Valenciana NO Comunidad de Madrid DS Docta Complutense RD 10 abr 2025