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1. Carrier Diffusion Lengths Exceeding 1 μm Despite Trap-Limited Transport in Halide Double Perovskites

Author

Jeffrey B. Neaton, Adam H. Slavney, Naomi S. Ginsberg, Nathan R. Wolf, Marina R. Filip, Hemamala I. Karunadasa, and Milan Delor

Subjects
Materials science, Renewable Energy, Sustainability and the Environment, Scattering, Energy Engineering and Power Technology, Halide, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Method of image charges, 01 natural sciences, Molecular physics, 0104 chemical sciences, Trap (computing), Fuel Technology, Chemistry (miscellaneous), Materials Chemistry, Double perovskite, Diffusion (business), 0210 nano-technology
Abstract

We image charge carrier transport over nanometers–micrometers and picoseconds–microseconds in halide double perovskites Cs2AgBiBr6 and Cs2AgTlBr6 single crystals using stroboscopic scattering micro...

Published
2020
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2. Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI 3 by Theory and Experiment

Author

Feliciano Giustino, Marina R. Filip, Henry J. Snaith, Bernard Wenger, Amir A. Haghighirad, Nobuya Sakai, and Rebecca J. Sutton

Subjects
chemistry.chemical_classification, Materials science, Renewable Energy, Sustainability and the Environment, Iodide, Energy Engineering and Power Technology, 02 engineering and technology, Crystal structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Crystallography, Fuel Technology, chemistry, Chemistry (miscellaneous), Metastability, Phase (matter), Materials Chemistry, Chemical stability, Orthorhombic crystal system, 0210 nano-technology, Electronic band structure, Perovskite (structure)
Abstract

Room-temperature films of black-phase cesium lead iodide (CsPbI3) are widely thought to be trapped in a cubic perovskite polymorph. Here, we challenge this assumption. We present structural refinement of room-temperature black-phase CsPbI3 in an orthorhombic polymorph. We demonstrate that this polymorph is adopted by both powders and thin films of black-phase CsPbI3, fabricated either by high- or low-temperature processes. We perform electronic band structure calculations for the orthorhombic polymorph and find agreement with experimental data and close similarities with orthorhombic methylammonium lead iodide. We investigate the structural transitions and thermodynamic stability of the various polymorphs of CsPbI3 and show that the orthorhombic polymorph is the most stable among its other perovskite polymorphs, but it remains less stable than the yellow nonperovskite polymorph.

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