Our group targets the synthesis, single crystal growth, computational studies, and characterization of low cost hybrid organic-inorganic halides for prospective optoelectronic applications. For example, the use of group 12 metals results in large band gap materials that could be of interest for scintillator applications. Scintillators are needed in medical imaging, astrophysics, particle physics and national security. Of these, medical imaging alone requires hundreds of metric tons of scintillator materials annually. Two of the key materials characteristics that enable to serve as outstanding scintillators include (1) high light yield for improved accuracy and resolution, and (2) cost of the constitution elements and material preparation procedure including single crystal growth. Taking advantage of the simple processing and rich chemistry of multinary hybrid organic-inorganic halides, we have been working on hybrid halides (X = Cl, Br, I) based on group 12 metals (Zn, Cd, Hg) and organic cations of varying size with the ultimate goal of obtaining low cost and high performance materials for optoelectronics including scintillators. Our team uses a combined experimental and computational approach to study and demonstrate potential of obtained halide materials. During this presentation, I will summarize our findings so far including syntheses of new structural families of new hybrid organic-inorganic halides, and their subsequent characterization. We show that crystal and electronic structures of obtained halide materials are strongly dependent on organic and metal cations and halide anions, each of which can have structure directing roles. Systematic trends in crystal and electronic structures and physical properties will be reviewed.

Hybrid Organic-Inorganic Halides of Group 12 Metals (Zn, Cd, Hg): syntheses, crystal and electronic structures, and prospective optoelectronic applications

255th National Meeting (2018)

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