Ternary Group 15 Iodidometalate Anions as Building Blocks for New Materials

卤化铅钙钛矿最近作为用于新兴类别的太阳能电池和其他光电应用中的多功能半导体材料而闻名。在这个项目中，我们的目标是探索一个相关的，但以前被忽视的金属卤化物类化合物，可以导致毒性更小，更稳定的材料。结合第11族和第15族的碘代亚硝酸盐，我们的第一个目标是拓宽含有M/E/I阴离子（M = Cu，Ag，Au; E = Sb，Bi）的盐的结构化学，使其超出目前已知的少量化合物。我们将试图了解这些化合物形成的确切时间，而不是那些具有简单的二元M/I或E/I阴离子的化合物，以及合成中使用的有机阳离子的作用。作为我们的第二个目标，我们将试图了解我们的化合物中结构和电子性质的相互作用，阐明M/E/I比，阴离子维数，构建单元连接性和次级相互作用等因素的影响。我们还将探讨掺杂和固溶体形成的影响。 这最终将使我们能够微调化合物的光学性质。在我们的第三个目标中，我们的目标是根据稳定性，易于合成和有前途的光物理特性等标准开发用于材料应用的候选化合物，将其加工成薄膜或纳米颗粒，并在原型设备中进行测试，如LED或太阳能电池。

Lead halide perovskites have recently gained fame as versatile semiconductor materials used in an emergent class of solar cells and other optoelectronic applications. In this project, we aim to explore a related but previously overlooked class of metal halide compounds that could result in less toxic and more stable materials. Combining group 11 and group 15 iodidometalates, our first objective is to broaden the structural chemistry of salts containing M/E/I anions (M = Cu, Ag, Au; E = Sb, Bi) beyond the small number of compounds that are currently known. We will seek to understand when exactly these compounds form as opposed to those featuring simple binary M/I or E/I anions and which role the organic cations employed in the synthesis play. As our second objective, we will try to understand the interplay of structure and electronic properties in our compounds, elucidating the influence of factors like M/E/I ratios, anion dimensionality, building unit connectivity and secondary interactions. We will also explore the influence of doping and the formation of solid solutions. This should ultimately allow us to fine-tune the optical properties of our compounds. In our third objective we aim to develop candidate compounds for material applications based on criteria such as stability, ease of synthesis and promising photo-physical properties, process them into thin film or nanoparticles and test them in prototype devices such as LEDs or solar cells.