TY - JOUR
T1 - The Rotationally Free and Rigid Sublattices of the Single Crystal Perovskite CH3NH3PbBr3 (001): The Case of the Lattice Polar Liquid
AU - Evans, Prescott E
AU - Pink, Maren
AU - Zhumekenov, Ayan A.
AU - Hao, Guanhua
AU - Losovyj, Yaroslav
AU - Bakr, Osman
AU - Dowben, Peter A.
AU - Yost, Andrew J.
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The single crystals used in this study were synthesized in the Functional Nanomaterials Lab (FuNL), KAUST. The financial support by King Abdullah University of Science and Technology (KAUST) is acknowledged. The work at the University of Nebraska was supported by the National Science Foundation through the Nebraska MRSEC (Grant No. DMR-1420645), the Nebraska Center for Energy Science and Research. XRD measurements were performed at the Indiana University Nanoscale Characterization Facility. The XRD instrument was funded by NSF award DMR MRI-1126394.
PY - 2018/10/23
Y1 - 2018/10/23
N2 - The dynamic motion, within the lattice of single crystal CH3NH3PbBr3 (001) hybrid halide perovskite, was investigated using powder and single crystal x-ray diffraction, and x-ray photoemission spectroscopy. Single crystal x-ray diffraction studies indicate the methylammonium cation adopts multiple orientations within the crystal, at room temperature, evidence of a disordered methylammonium sublattice within a rigid and ordered PbBr3 matrix lattice. From the Br 3d5/2 core level photoemission temperature dependence, an effective Debye temperature of 160 ± 22 K can be estimated, while the Pb 4f7/2 core-level Debye-Waller factor plots suggest an effective Debye temperature of 202 ± 131 K, indicative of a very rigid lattice along the (001) direction. The combination of x-ray diffraction with temperature dependent x-ray photoemission spectroscopy for bromine and lead core level peaks support the characterization of CH3NH3PbBr3 as a lattice polar liquid crystal, as CH3NH3PbBr3 does not meet the criteria required for a ferroelectric material.
AB - The dynamic motion, within the lattice of single crystal CH3NH3PbBr3 (001) hybrid halide perovskite, was investigated using powder and single crystal x-ray diffraction, and x-ray photoemission spectroscopy. Single crystal x-ray diffraction studies indicate the methylammonium cation adopts multiple orientations within the crystal, at room temperature, evidence of a disordered methylammonium sublattice within a rigid and ordered PbBr3 matrix lattice. From the Br 3d5/2 core level photoemission temperature dependence, an effective Debye temperature of 160 ± 22 K can be estimated, while the Pb 4f7/2 core-level Debye-Waller factor plots suggest an effective Debye temperature of 202 ± 131 K, indicative of a very rigid lattice along the (001) direction. The combination of x-ray diffraction with temperature dependent x-ray photoemission spectroscopy for bromine and lead core level peaks support the characterization of CH3NH3PbBr3 as a lattice polar liquid crystal, as CH3NH3PbBr3 does not meet the criteria required for a ferroelectric material.
UR - http://hdl.handle.net/10754/629447
UR - https://pubs.acs.org/doi/10.1021/acs.jpcc.8b08994
UR - http://www.scopus.com/inward/record.url?scp=85056512827&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.8b08994
DO - 10.1021/acs.jpcc.8b08994
M3 - Article
SN - 1932-7447
VL - 122
SP - 25506
EP - 25514
JO - The Journal of Physical Chemistry C
JF - The Journal of Physical Chemistry C
IS - 44
ER -