Hybrid perovskite materials are unique in that they incorporate both organic and inorganic components in a single crystal lattice and exhibit the combined properties of individual components and new features that are not possible with either component alone. The inorganic components offer useful optoelectronic and magnetic properties, substantial mechanical hardness and heat resistance, while the organic cations improve structural tenability and flexibility. In order to better understand the intrinsic properties of perovskite material and how the structural conformations and charge properties of the organic cations influence the structure of the resulting materials, it could be extremely useful to study the properties of phase-pure bulk metal halide perovskites, especially single crystals. In this project, we grow tetraphenylphosphonium (TPP)-based metal halide crystals. When reacting tetraphenylphosphonium bromide (TPPB) with PbBr2, stable structures with octahedral Pb linked via bromide bonds were obtained. However, a different structure forms using TPPB with PbCl2, in which both Br and Cl can occupy the same site in a disordered state. To further study the effect of the larger TPP cation, TPPB was reacted with CuCl2. In the resulting structure, the TPP cation was found to break the -Cu-Cu-Cu-Cu- infinite chain and form dimers in which the smaller Cl atoms are bridging in the middle and the Br atoms are occupying the outer position. The crystals were characterized by X-ray crystallography.

Tetraphenylphosphonium metal halide perovskites synthesis and crystal structures

2019 Fall National Meeting

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