RT Journal Article T1 Optoelectronic and Energy Level Exploration of Bismuth and Antimony-Based Materials for Lead-Free Solar Cells A1 Nishikubo, Ryosuke A1 Kanda, Hiroyuki A1 García Benito, Inés A1 Molina Ontoria, Agustín A1 Pozzi, Gianluca A1 Asiri, Abdullah M. A1 Mohammad Khaja Nazeeruddin, A1 Saeki, Akinori AB Bismuth- and antimony-based materials, such as A3M2X9 and AMSX2 (A = cation, M = Bi, Sb, S = sulfur, X = halogen), are promising candidates as the counterpart to lead halide perovskite. However, the large number of different compositions and crystal structures (dimer, perovskite, etc.) has made these materials largely overlooked; thus, an intuitive evaluation strategy is required. Here, we present a comprehensive study of the energy levels (bandgap, valence band maximum, etc.) and optoelectronics (photoconductivity and charge transfer to charge transport material) of the Bi- and Sb-based materials, which include 6 crystal categories with 44 compositions, by using time-resolved microwave conductivity (TRMC). Importantly, we found an efficient hole transfer from the Sb-based materials to the hole transport materials with the inclusion of the thiophene component, leading to an improved power conversion efficiency of 2.91% for Sb2S3-containing SbSI, prepared by a novel one-step method. Our study establishes a key rule for exploring active layer compositions and designing device structures, which would accelerate the evolution of Bi- and Sb-based lead-free solar cells. PB AMERICAN CHEMICAL SOCIETY SN 0897-4756 SN 1520-5002 YR 2020 FD 2020-07-31 LK https://hdl.handle.net/20.500.14352/116060 UL https://hdl.handle.net/20.500.14352/116060 LA eng NO Chem. Mater. 2020, 32, 15, 6416–6424 NO Japan Science and TechnologyAgency NO Japan and the Japan Society for thePromotion of Science NO SNSF DS Docta Complutense RD 17 abr 2025