Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling

Christiansen, Troels Lindahl; Kjær, Emil T. S.; Kovyakh, Anton; Röderen, Morten L.; Høj, Martin; Vosch, Tom; Jensen, Kirsten M. Ø.

doi:10.1107/s1600576719016832

Title: Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling

Journal Article · 01 February 2020 · Journal of Applied Crystallography (Online)

DOI: https://doi.org/10.1107/s1600576719016832 · OSTI ID:1617955

Christiansen, Troels Lindahl ^[1]; Kjær, Emil T. S. ^[1]; Kovyakh, Anton ^[2]; Röderen, Morten L. ^[3]; Høj, Martin ^[4]; Vosch, Tom ^[1];

^[1]

Univ. of Copenhagen (Denmark)
Univ. of Copenhagen (Denmark); Danish Technological Inst. (DTI), Taastrup (Denmark)
Danish Technological Inst. (DTI), Taastrup (Denmark)
Technical Univ. of Denmark (DTU), Kongens Lyngby (Denmark)

Molybdenum oxides and sulfides on various low-cost high-surface-area supports are excellent catalysts for several industrially relevant reactions. The surface layer structure of these materials is, however, difficult to characterize due to small and disordered MoO_x domains. Here, it is shown how X-ray total scattering can be applied to gain insights into the structure through differential pair distribution function (d-PDF) analysis, where the scattering signal from the support material is subtracted to obtain structural information on the supported structure. MoO_x catalysts supported on alumina nanoparticles and on zeolites are investigated, and it is shown that the structure of the hydrated molybdenum oxide layer is closely related to that of disordered and polydisperse polyoxometalates. By analysing the PDFs with a large number of automatically generated cluster structures, which are constructed in an iterative manner from known polyoxometalate clusters, information is derived on the structural motifs in supported MoO_x.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1617955

Alternate ID(s):: OSTI ID: 1600832

Journal Information:: Journal of Applied Crystallography (Online), Vol. 53, Issue 1; ISSN 1600-5767

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 12 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
molybdenum oxides
nanostructure
pair distribution function analysis
supported catalysts
automated modelling

Title: Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling

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