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Structural characterization of zeolite by electron density analysis

AppNote XRD1136: Structural characterization of zeolite by electron density analysis


Zeolites, which are microporous aluminosilicates, have excellent properties, such as water absorption ability, ion exchangecapacity, molecular sieving ability, and catalytic ability. In terms of catalytic ability, they have been commercialized as NH₃-SCR (Selective Catalytic Reduction) catalysts for NOₓ abatement in diesel engines. CHA-type zeolite, which can enhance the catalytic activity for NOₓ by Cu-ion-exchange, is generally used for the SCR catalyst. Since the atomic position of Cu influences the catalytic activity and stability, the difference Fourier synthesis and the MEM (Maximum Entropy Method), which allow visualizing differences in electron density distributions calculated from a model and observations, are essential to develop and characterize the material.

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