2026-06-29T15:18:05Zhttps://docta.ucm.es/rest/oai/request

oai:docta.ucm.es:20.500.14352/1160602025-03-18T13:18:16Zcom_20.500.14352_14col_20.500.14352_15

Optoelectronic and Energy Level Exploration of Bismuth and Antimony-Based Materials for Lead-Free Solar Cells Nishikubo, Ryosuke Kanda , Hiroyuki García Benito, Inés Molina Ontoria, Agustín Pozzi, Gianluca Asiri , Abdullah M. Mohammad Khaja Nazeeruddin Saeki , Akinori 547 Química orgánica (Química) 2306 Química Orgánica 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. Japan Science and TechnologyAgency Japan and the Japan Society for thePromotion of Science SNSF Depto. de Química Orgánica Fac. de Ciencias Químicas TRUE pub 2025-01-24T14:36:31Z 2025-01-24T14:36:31Z 2020-07-31 journal article VoR https://hdl.handle.net/20.500.14352/116060 0897-4756 1520-5002 10.1021/acs.chemmater.0c01503 eng JPMJPR15N6 JP16H02285 200020L_1729/1 Chem. Mater. 2020, 32, 15, 6416–6424 Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ open access application/pdf AMERICAN CHEMICAL SOCIETY