Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults
Abstract
Lead halide perovskites have a rich landscape of structural and optical properties, which can be explored and possibly controlled by applying high pressure. Despite several reports on high-pressure studies of CsPbBr3 nanocrystals (NCs), there have so far been no studies under pressure that incorporate planar defects. CsPbBr3 NCs with Ruddlesden-Popper (RP) faults, formed via post-synthetic fusion growth, are significantly larger in size than as-synthesized NCs and display exceptional emission stability. Here, we compare synchrotron-based high-pressure X-ray diffraction and photoluminescence (PL) properties of CsPbBr3 (without RP) and RP-CsPbBr3 (with RP) and resolve their crystal structure under pressure for the first time. CsPbBr3 undergoes a phase transition from the orthorhombic Pnma phase at ambient pressure to the cubic Pm (3) over barm phase at 1.7 GPa, and RP-CsPbBr3 transforms from Pnma to the monoclinic P2(1)/m phase at 0.74 GPa in addition to several isostructural transitions. Density-functional calculations predict a narrowing of the band gap with pressure, concomitant with the PL energies. The RP-CsPbBr3 NCs exhibit enhanced PL intensity at 1 GPa and show band gap opening at high pressures. This study opens new strategies for not only tuning just the structural properties but also tuning planar defects in alkali halide lead crystalsmore »
- Authors:
-
[1];
[1]
- Univ. of Missouri, Columbia, MO (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Univ. of Missouri, Columbia, MO (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
- OSTI Identifier:
- 1595474
- Alternate Identifier(s):
- OSTI ID: 1615467
- Grant/Contract Number:
- SC0019109; DMR-1807263; DMR-1810922; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 32; Journal Issue: 2; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Electrical conductivity; Energy; Lattices; Phase transitions; Physical and chemical processes
Citation Formats
Yesudhas, Sorb, Morrell, Maria V., Anderson, Matthew J., Ullrich, Carsten A., Kenney-Benson, Curtis, Xing, Yangchuan, and Guha, Suchismita. Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults. United States: N. p., 2019.
Web. doi:10.1021/acs.chemmater.9b04157.
Yesudhas, Sorb, Morrell, Maria V., Anderson, Matthew J., Ullrich, Carsten A., Kenney-Benson, Curtis, Xing, Yangchuan, & Guha, Suchismita. Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults. United States. https://doi.org/10.1021/acs.chemmater.9b04157
Yesudhas, Sorb, Morrell, Maria V., Anderson, Matthew J., Ullrich, Carsten A., Kenney-Benson, Curtis, Xing, Yangchuan, and Guha, Suchismita. Thu .
"Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults". United States. https://doi.org/10.1021/acs.chemmater.9b04157. https://www.osti.gov/servlets/purl/1595474.
@article{osti_1595474,
title = {Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults},
author = {Yesudhas, Sorb and Morrell, Maria V. and Anderson, Matthew J. and Ullrich, Carsten A. and Kenney-Benson, Curtis and Xing, Yangchuan and Guha, Suchismita},
abstractNote = {Lead halide perovskites have a rich landscape of structural and optical properties, which can be explored and possibly controlled by applying high pressure. Despite several reports on high-pressure studies of CsPbBr3 nanocrystals (NCs), there have so far been no studies under pressure that incorporate planar defects. CsPbBr3 NCs with Ruddlesden-Popper (RP) faults, formed via post-synthetic fusion growth, are significantly larger in size than as-synthesized NCs and display exceptional emission stability. Here, we compare synchrotron-based high-pressure X-ray diffraction and photoluminescence (PL) properties of CsPbBr3 (without RP) and RP-CsPbBr3 (with RP) and resolve their crystal structure under pressure for the first time. CsPbBr3 undergoes a phase transition from the orthorhombic Pnma phase at ambient pressure to the cubic Pm (3) over barm phase at 1.7 GPa, and RP-CsPbBr3 transforms from Pnma to the monoclinic P2(1)/m phase at 0.74 GPa in addition to several isostructural transitions. Density-functional calculations predict a narrowing of the band gap with pressure, concomitant with the PL energies. The RP-CsPbBr3 NCs exhibit enhanced PL intensity at 1 GPa and show band gap opening at high pressures. This study opens new strategies for not only tuning just the structural properties but also tuning planar defects in alkali halide lead crystals for improved optical properties.},
doi = {10.1021/acs.chemmater.9b04157},
journal = {Chemistry of Materials},
number = 2,
volume = 32,
place = {United States},
year = {2019},
month = {12}
}
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