Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults

Yesudhas, Sorb; Morrell, Maria V.; Anderson, Matthew J.; Ullrich, Carsten A.; Kenney-Benson, Curtis; Xing, Yangchuan; Guha, Suchismita

doi:10.1021/acs.chemmater.9b04157

Title: Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults

Journal Article · 26 December 2019 · Chemistry of Materials

DOI: https://doi.org/10.1021/acs.chemmater.9b04157 · OSTI ID:1595474

Yesudhas, Sorb ^[1]; Morrell, Maria V. ^[1]; Anderson, Matthew J. ^[1]; Ullrich, Carsten A. ^[1]; Kenney-Benson, Curtis ^[2];

^[1];

^[1]

Univ. of Missouri, Columbia, MO (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

Lead halide perovskites have a rich landscape of structural and optical properties, which can be explored and possibly controlled by applying high pressure. In contrast to 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 faults (RP), 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 orthorhombic Pnma phase at ambient pressure to cubic Pm$$\bar{3}$$m phase at 1.7 GPa and RP-CsPbBr₃ transforms from Pnma to the monoclinic P2₁/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. Our work opens new strategies for tuning not just the structural properties but also tuning planar defects in alkali halide lead crystals for improved optical properties.

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Research Organization:: Univ. of Missouri, Columbia, MO (United States); Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: SC0019109; DMR-1807263; DMR-1810922; AC02-06CH11357

OSTI ID:: 1595474

Alternate ID(s):: OSTI ID: 1615467

Journal Information:: Chemistry of Materials, Vol. 32, Issue 2; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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Title: Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults

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