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January 1, 2016Catalysis Science & TechnologyOpen Access

The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH 3 SCR catalysts: an energetic and ab initio X-ray absorption modeling study

Renqin Zhang János Szanyi Feng Gao Jean‐Sabin McEwen

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Abstract

By modeling the Cu K-edge XANES of Cu-SSZ-13 from first principles, we find that the intensity and edge position does not only depend on the oxidation state of Cu, but also its coordination environment.

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Cite This Study

Zhang et al. (2016) studied this question.

synapsesocial.com/papers/6a9f9f410fbdfd5dd81ddd85 https://doi.org/10.1039/c5cy02252e

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