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The evolution of their crystal structure versus state of charge (SOC) and fatigue (state of health, SOH) has been analyzed using the Rietveld refinement technique.
To explore the substitution of an Mn2+ site for each Mg site, a determination of the number of Mg substitutional sites was carried out using the Rietveld refinement method and bond valence sums.
The microstructural properties of as-deposited films were thoroughly examined using the Rietveld refinement of powder-like XRD patterns, while the film surface has been probed using atomic field microscopy.
In contrast to qualitative analysis commonly found in the literature, we used quantitative methods of analysis to quantify average pore diameter and pore density from the morphology and structural parameters from X-ray diffraction (XRD) patterns using the Rietveld refinement.
Thus-prepared LiVO3 samples were characterized by XRD using the Rietveld refinement, SEM, TEM, HRTEM, FTIR, Raman spectroscopy, 6Li and 51V MAS NMR spectroscopy, XPS, galvanostatic cycling, and GITT.
Fitting of X-ray diffraction data using the Rietveld refinement has been attempted for the quantitative analyses of VO in terms of oxygen site occupancy [10,11].
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The Pauling's half-hydrogen model with an average occupancy of 0.5 for each deuterium atom in water molecules was used for the Rietveld refinement and MEM analysis, and the ordered model was used for MD calculation.
Note that the 2θ-regions with grey background are not used in the Rietveld refinement.
Note that the 2θ-regions with grey background in Fig. 1 are not used in the Rietveld refinement.
A crystallographic information file (CIF) for CeO2 (ICSD: 72155) was obtained from the ICSD database and used for the Rietveld refinement.
Structural refinements were performed using the Rietveld analysis program X'Pert Highscore Plus (PANalytical X-ray Company, Almelo, The Netherlands).
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