Möbs Jakob, Pan Sudip, Tonner-Zech Ralf, Heine Johanna
Department of Chemistry and Material Sciences Center, Philipps-Universität Marburg, Hans-Meerwein-Straße 4, 35043 Marburg, Germany.
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Fakultät für Chemie und Mineralogie, Universität Leipzig, Linnéstraße 2, 04103 Leipzig, Germany.
Dalton Trans. 2022 Sep 20;51(36):13771-13778. doi: 10.1039/d2dt02305a.
Iodido metalates of heavy main group elements have seen much research interest in the last years due to their possible application as absorbers in photovoltaics. However, for materials based on the non-toxic element bismuth one challenge lies in narrowing the optical band gap for sufficient solar absorption. Here, we present a new iodido silver bismuthate, [SMe][BiAgI] (1), which is prepared from solution and characterized regarding its structure, thermal stability and optical absorption. While compounds with similar anion compositions are known, the band gap of 1.82 eV is the smallest in chain-like Bi/Ag/I-compounds that has been reported to date. To support our experimental findings we carried out computational investigations and were able to reproduce the surprisingly narrow band gap, highlighting the subtle influence of the connectivity of different building units in multinary bismuthates. We also prepared and characterized the simple iodido pentelates [SMe][EI] (E = Bi, Sb; 2, 3) to provide a point of comparison.
近年来，重主族元素的碘金属盐因其在光伏领域作为吸收剂的潜在应用而备受研究关注。然而，对于基于无毒元素铋的材料而言，一个挑战在于缩小光学带隙以实现足够的太阳能吸收。在此，我们展示了一种新型碘银铋酸盐[SMe][BiAgI] (1)，它通过溶液法制备，并对其结构、热稳定性和光吸收进行了表征。虽然已知具有类似阴离子组成的化合物，但1.82 eV的带隙是迄今为止报道的链状Bi/Ag/I化合物中最小的。为了支持我们的实验结果，我们进行了计算研究，并能够重现这一惊人的窄带隙，突出了多组分铋酸盐中不同结构单元连接性的微妙影响。我们还制备并表征了简单的碘五价酸盐[SMe][EI] (E = Bi, Sb; 2, 3) 以提供比较点。
