Experiment investigation of the ferroelastic domain structure in cesium lead chloride in the monoclinic phase

Chabin, M.; Gilletta, F.

doi:10.1107/s0021889880012745

Cited by 11 publications

(11 citation statements)

References 6 publications

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“…T 2 times for bulk material above 273 K could not be determined, presumably due to the ferroelastic phase transitions of bulk CsPbCl 3 which occur around room temperature (RT) and might impede the detection of the NMR signal. 25 , 54 − 56 In NCs, these phase transitions may be absent or occur only at higher temperatures, since the 35 Cl NMR spectra could be acquired without difficulties at RT.…”

Section: Resultsmentioning

confidence: 99%

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

et al. 2020

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Lead-halide perovskites increasingly mesmerize researchers because they exhibit a high degree of structural defects and dynamics yet nonetheless offer an outstanding (opto)electronic performance on par with the best examples of structurally stable and defect-free semiconductors. This highly unusual feature necessitates the adoption of an experimental and theoretical mindset and the reexamination of techniques that may be uniquely suited to understand these materials. Surprisingly, the suite of methods for the structural characterization of these materials does not commonly include nuclear magnetic resonance (NMR) spectroscopy. The present study showcases both the utility and versatility of halide NMR and NQR (nuclear quadrupole resonance) for probing the structure and structural dynamics of CsPbX 3 (X = Cl, Br, I), in both bulk and nanocrystalline forms. The strong quadrupole couplings, which originate from the interaction between the large quadrupole moments of, e.g., the 35 Cl, 79 Br, and 127 I nuclei, and the local electric-field gradients, are highly sensitive to subtle structural variations, both static and dynamic. The quadrupole interaction can resolve structural changes with accuracies commensurate with synchrotron X-ray diffraction and scattering. It is shown that space-averaged site-disorder is greatly enhanced in the nanocrystals compared to the bulk, while the dynamics of nuclear spin relaxation indicates enhanced structural dynamics in the nanocrystals. The findings from NMR and NQR were corroborated by ab initio molecular dynamics, which point to the role of the surface in causing the radial strain distribution and disorder. These findings showcase a great synergy between solid-state NMR or NQR and molecular dynamics simulations in shedding light on the structure of soft lead-halide semiconductors.

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Section: Resultsmentioning

confidence: 99%

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

et al. 2020

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“…twinning). 91,[129][130][131][132][133][134][135] Subtle transformations can also occur due to ordering of electronic dipoles or spins in MHPs, creating interfaces between ferroic domains, although there is active debate about ferroic properties in MHPs. [135][136][137][138][139][140][141] The interfaces that form across non-reconstructive phase transformations in MHPs may be difficult to observe by ssNMR techniques, but present an important characterization and engineering challenge nonetheless.…”

Section: Intrinsic Interfacesmentioning

confidence: 99%

Interfaces in metal halide perovskites probed by solid-state NMR spectroscopy

2021

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“…Chabin and Gilletta [15,16] have investigated the domain structure in CsPbCl3, theoretically and experi mentally, for the room temperature phase. Through microscopic examination they found the angle be tween twin walls to be 89°.…”

Section: Cspbbr3: Phase IIImentioning

confidence: 99%

Phase Transitions in CsSnCl₃ and CsPbBr₃ An NMR and NQR Study

Sharma

Weiden

Weiß

1991

Zeitschrift Für Naturforschung A

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The phase transitions in CsSnCl3 and CsPbBr3 have been studied by X-ray powder diffraction, by 81Br-NQR and by 'H-, 119Sn-, and 113Cs-NMR. At room temperature in air CsSnCl3 forms a hydrate which can be dehydrated to the monoclinic phase II of CsSnCl3. The high temperature phase I has the Perovskite structure, as the X-ray and NMR experiments show. The three phases of CsPbBr3, known from literature, have been corroborated. The results are discussed in the framework of the group ABX3, A = alkalimetal ion, B = IV main group ion, and X = Halogen ion.

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Experiment investigation of the ferroelastic domain structure in cesium lead chloride in the monoclinic phase

Cited by 11 publications

References 6 publications

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Interfaces in metal halide perovskites probed by solid-state NMR spectroscopy

Phase Transitions in CsSnCl₃ and CsPbBr₃ An NMR and NQR Study

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Experiment investigation of the ferroelastic domain structure in cesium lead chloride in the monoclinic phase

Cited by 11 publications

References 6 publications

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Interfaces in metal halide perovskites probed by solid-state NMR spectroscopy

Phase Transitions in CsSnCl3 and CsPbBr3 An NMR and NQR Study

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Phase Transitions in CsSnCl₃ and CsPbBr₃ An NMR and NQR Study