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. 2020 Nov 11;2(12):1644–1652. doi: 10.1021/acsmaterialslett.0c00393

Figure 1.

Figure 1

XRD and TEM characterization of solid-state Cs2ZrX6 samples. (a) XRD patterns of Cs2ZrCl6 bulk powder (light blue) and a Cs2ZrCl6 NC thin film (blue), as well as the reference XRD pattern of Cs2ZrCl6 (JCPDS File No. 01-074-1001, shown in black).20 The diffraction patterns are normalized to the respective maximum intensity of the scans and are vertically offset for clarity. The air-free sample holder introduces a broad background and a peak at ∼20° (marked with a hash symbol (#)); the asterisks (*) mark peaks that originate from the Si substrate. The inset shows an expanded comparison of the (220) XRD peaks of Cs2ZrCl6 bulk powder with the Cs2ZrCl6 NC thin film. The patterns are normalized to the maximum peak intensity and scaled between 0 and 1 along the ordinate, respectively. (b) XRD patterns of Cs2ZrBr6 bulk powder (light green; including CsBr phase impurity) and a Cs2ZrBr6 NC thin film (green) as well as the reference XRD pattern of Cs2ZrBr6 (shown in black; see the SI for details on calculation) and CsBr (JCPDS File No. 00-005-0588, shown in orange).22 The diffraction patterns are normalized to the respective maximum intensity of the scans and vertically offset for clarity. The air-free sample holder introduces a broad background and peak at ∼20° (marked with a hash symbol (#)). The inset shows an expanded view comparing the (222) XRD peaks of Cs2ZrBr6 bulk powder with the Cs2ZrBr6 NC thin film. The patterns are normalized to the maximum peak intensity and scaled between 0 and 1 along the ordinate, respectively. For both Cs2ZrCl6 and Cs2ZrBr6 reference XRD patterns, we index the first six diffraction peaks to the respective (hkl) planes, according to the powder diffraction file (PDF) for Cs2ZrCl6 and the simulated reference XRD pattern for Cs2ZrBr6. (c) TEM image of Cs2ZrCl6 NCs. The inset shows a HR-TEM image (see Figure S2 in the SI for a larger area) of a Cs2ZrCl6 NC, showing (220) lattice fringes separated by ∼3.7 Å. (d) TEM image of Cs2ZrBr6 NCs. The inset shows an HR-TEM image (see Figure S3 in the Supporting Information for a larger area) of a Cs2ZrBr6 NC, showing (220) lattice fringes separated by ∼3.9 Å.