Fig. 2: Local structure analysis of amorphous NMOC SSEs.
From: A family of dual-anion-based sodium superionic conductors for all-solid-state sodium-ion batteries
a, Raman spectra of amorphous NMOC SSEs and crystalline HfCl4, ZrCl4 and TaCl5 references. Insets are the representative local configurations of crystalline HfCl4, ZrCl4 and TaCl5, respectively. b, Wavelet-transformed EXAFS contour plots of NHOC SSE at Hf L3-edge. The original EXAFS signal χ(k) is weighted by k2, and k represents wavenumber. R + ΔR represents the radial distance, and ΔR indicates the distance correction due to phase shifts. c, Fourier-transform (FT) EXAFS fitting for the Hf L3-edge spectrum of NHOC SSE. Black and red circles represent the magnitude (Mag.) and real (Re.) part of the FT experimental (Exp.) EXAFS, respectively. d, Computed structure of amorphous NHOC at 500 K generated from melt-and-quench AIMD simulations, and relative populations of the Hf-centred clusters in the computed atomic configuration. e, PDF analysis of synchrotron total scattering data for amorphous NMOC electrolytes and the metal oxide and metal chloride references. The r represents the interatomic distance. f, Wavelet-transformed EXAFS contour plots of NTOC SSE at Ta L3-edge. The original EXAFS signal χ(k) is weighted by k3, and k represents wavenumber. g, FT EXAFS fitting for the Ta L3-edge spectrum of NTOC SSE. h,i, The main possible building blocks of NHOC or NZOC (h) and NTOC (i) SSEs. The ellipsis indicates the presence of other types of M-centred polyhedra as the basic building blocks of NMOC SSEs.
