Synergy between XANES Spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO2‐Supported Molybdenum Oxide Catalysts1. Issue 25 (7th May 2013)

• Record Type: Journal Article
• Authors: Tougerti, Asma; Berrier, Elise; Mamede, Anne‐Sophie; La Fontaine, Camille; Briois, Valérie; Joly, Yves; Payen, Edmond; Paul, Jean‐François; Cristol, Sylvain
• Is Part Of: Angewandte Chemie international edition. Volume 52:Issue 25(2013)
• Page Start: 6440
• Page End: 6444
• Publication Date: 2013-05-07
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201300538
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Active phase of a catalyst</bold>: 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 TiO₂‐supported molybdenum oxide catalyst was defined. The structure consists of Mo octahedra arranged in a six‐membered ring.<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg21kr27g8" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>