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[Analysis Case] Structural Refinement of Powdered Crystalline Materials Using Rietveld Analysis Method

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[Analysis Case] Structural Refinement of Powdered Crystalline Materials Using Rietveld Analysis Method

It is possible to refine the crystal structure from powder X-ray diffraction data.

This document presents a case study of Rietveld analysis applied to the powder X-ray diffraction data of Li(Ni, Mn, Co)O2, which is used as a positive electrode active material in lithium-ion secondary batteries. By seeking a crystal structure model that reproduces the measured powder X-ray diffraction data through simulation, it is possible to precisely calculate crystal structure parameters such as lattice constants, site occupancy rates, and the proportion of cation mixing, which can then be used to discuss the material properties.

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Measurement methods: XRD, computational science, data analysis Product fields: secondary batteries, displays, biotechnology, pharmaceuticals, cosmetics Analysis purpose: structural evaluation

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Analysis of secondary batteries, displays, biotechnology, pharmaceuticals, and cosmetics.

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[Analysis Case] Structural Refinement of Powder Crystalline Materials Using Rietveld Analysis Method_C0577

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