Synthesis, Structure, and Tunability of Zero-Dimensional Organic–Inorganic Metal Halides Utilizing the m -Xylylenediammonium Cation: MXD 2 PbI 6 , MXDBiI 5 , and MXD 3 Bi 2 Br 12 ·2H 2 O

作者：Pia S. Klee, Yuri Hirano, David B. Cordes, Alexandra M. Z. Slawin, Julia L. Payne · 发表于：Crystal Growth & Design · 年份：2022 · DOI：10.1021/acs.cgd.2c00187 · 被引用次数：15 · 研究领域：Perovskite Materials and Applications、2D Materials and Applications、Advanced Photocatalysis Techniques

High Resolution Image Download MS PowerPoint Slide Over the past decade, the efficiency of photovoltaic devices based on CH 3 NH 3 PbI 3 have dramatically increased. This has driven research efforts in all areas, from the discovery of materials to film processing to long-term device stability studies. Here, we report the synthesis and structure of three new “zero dimensional” organic–inorganic metal halides which use the meta-xylylenediammonium (MXD) cation: MXD 2 PbI 6, MXDBiI 5, and (MXD) 3 Bi 2 Br 12 ·2H 2 O. The different structures of the new materials lead to compounds with a range of band gaps with MXDBiI 5 having the lowest at 2.15 eV. We have explored the tunabilty of MXDBiI 5 through halide substitution by preparing a series of samples with composition MXDBiI 5– x Br x and determined the halide content using energy dispersive X-ray spectroscopy. A large range of solid solution is obtained in MXDBiI 5– x Br x, resulting in the formation of single-phase materials for bromine contents from x = 0 to 3.71 (iodine contents from 1.29 to 5). This highlights the fact that zero-dimensional organic–inorganic halides are highly tunable, in a similar manner to the higher-dimensional perovskite counterparts. Such new materials open up the opportunity for further studies of the physics and optoelectronic properties of these materials.