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Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity

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Abstract

The small pore Cu-CHA zeolite is attracting increasing attention as a versatile platform to design novel single-site catalysts for deNOx applications and for the direct conversion of methane to methanol. Understanding at the atomic scale how the catalyst composition influences the Cu-species formed during thermal activation is a key step to unveil the relevant composition–activity relationships. Herein, we explore by in situ XAS the impact of Cu-CHA catalyst composition on temperature-dependent Cu-speciation and reducibility. Advanced multivariate analysis of in situ XANES in combination with DFT-assisted simulation of XANES spectra and multi-component EXAFS fits as well as in situ FTIR spectroscopy of adsorbed N2 allow us to obtain unprecedented quantitative structural information on the complex dynamics during the speciation of Cu-sites inside the framework of the CHA zeolite.

Graphical abstract: Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity

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Publication details

The article was received on 19 May 2017, accepted on 23 Jul 2017 and first published on 24 Jul 2017


Article type: Edge Article
DOI: 10.1039/C7SC02266B
Citation: Chem. Sci., 2017, Advance Article
  • Open access: Creative Commons BY license
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    Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity

    A. Martini, E. Borfecchia, K. A. Lomachenko, I. A. Pankin, C. Negri, G. Berlier, P. Beato, H. Falsig, S. Bordiga and C. Lamberti, Chem. Sci., 2017, Advance Article , DOI: 10.1039/C7SC02266B

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