Synergy between XANES Spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO2-Supported Molybdenum Oxide Catalysts

Active phase of a catalyst: Using the 3D structural characterization of the environment around Mo atoms provided by X‐ray absorption near‐edge structure spectroscopy (left; spectrum of the MoK edge) and DFT calculations, the molecular‐scale structure of a TiO2‐supported molybdenum oxide catalyst was...

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Veröffentlicht in:	Angewandte Chemie International Edition 2013-06, Vol.52 (25), p.6440-6444
Hauptverfasser:	Tougerti, Asma, Berrier, Elise, Mamede, Anne-Sophie, La Fontaine, Camille, Briois, Valérie, Joly, Yves, Payen, Edmond, Paul, Jean-François, Cristol, Sylvain
Format:	Artikel
Sprache:	eng
Schlagworte:	ab initio calculations heterogeneous catalysis Molybdenum Spectroscopy Titanium dioxide X-ray absorption spectroscopy
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creator	Tougerti, Asma Berrier, Elise Mamede, Anne-Sophie La Fontaine, Camille Briois, Valérie Joly, Yves Payen, Edmond Paul, Jean-François Cristol, Sylvain
description	Active phase of a catalyst: Using the 3D structural characterization of the environment around Mo atoms provided by X‐ray absorption near‐edge structure spectroscopy (left; spectrum of the MoK edge) and DFT calculations, the molecular‐scale structure of a TiO2‐supported molybdenum oxide catalyst was defined. The structure consists of Mo octahedra arranged in a six‐membered ring.
doi_str_mv	10.1002/anie.201300538
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subjects	ab initio calculations heterogeneous catalysis Molybdenum Spectroscopy Titanium dioxide X-ray absorption spectroscopy
title	Synergy between XANES Spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO2-Supported Molybdenum Oxide Catalysts
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