Synergy between XANES Spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO 2 ‐Supported Molybdenum Oxide Catalysts | Zendy

Tougerti Asma | Zendy; Berrier Elise | Zendy; Mamede AnneSophie | Zendy; La Fontaine Camille | Zendy; Briois Valérie | Zendy; Joly Yves | Zendy; Payen Edmond | Zendy; Paul JeanFrançois | Zendy; Cristol Sylvain | Zendy

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Synergy between XANES Spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO 2 ‐Supported Molybdenum Oxide Catalysts

Author(s) -

Tougerti Asma,

Berrier Elise,

Mamede AnneSophie,

La Fontaine Camille,

Briois Valérie,

Joly Yves,

Payen Edmond,

Paul JeanFrançois,

Cristol Sylvain

Publication year - 2013

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201300538

Subject(s) - xanes , catalysis , molybdenum , x ray absorption spectroscopy , octahedron , amorphous solid , spectroscopy , materials science , oxide , molybdenum oxide , absorption spectroscopy , crystallography , phase (matter) , inorganic chemistry , chemistry , crystal structure , metallurgy , organic chemistry , physics , quantum mechanics

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 Mo K edge) and DFT calculations, the molecular‐scale structure of a TiO 2 ‐supported molybdenum oxide catalyst was defined. The structure consists of Mo octahedra arranged in a six‐membered ring.

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