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

Abstract

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 .

Authors:
; ; ; ; ; ; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1617955
Resource Type:
Published Article
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online) Journal Volume: 53 Journal Issue: 1; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography (IUCr)
Country of Publication:
Denmark
Language:
English

Citation Formats

Lindahl Christiansen, Troels, Kjær, Emil T. S., Kovyakh, Anton, Röderen, Morten L., Høj, Martin, Vosch, Tom, and Jensen, Kirsten M. Ø. Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling. Denmark: N. p., 2020. Web. https://doi.org/10.1107/S1600576719016832.
Lindahl Christiansen, Troels, Kjær, Emil T. S., Kovyakh, Anton, Röderen, Morten L., Høj, Martin, Vosch, Tom, & Jensen, Kirsten M. Ø. Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling. Denmark. https://doi.org/10.1107/S1600576719016832
Lindahl Christiansen, Troels, Kjær, Emil T. S., Kovyakh, Anton, Röderen, Morten L., Høj, Martin, Vosch, Tom, and Jensen, Kirsten M. Ø. Sat . "Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling". Denmark. https://doi.org/10.1107/S1600576719016832.
@article{osti_1617955,
title = {Structure analysis of supported disordered molybdenum oxides using pair distribution function analysis and automated cluster modelling},
author = {Lindahl Christiansen, Troels and Kjær, Emil T. S. and Kovyakh, Anton and Röderen, Morten L. and Høj, Martin and Vosch, Tom and Jensen, Kirsten M. Ø.},
abstractNote = {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 .},
doi = {10.1107/S1600576719016832},
journal = {Journal of Applied Crystallography (Online)},
number = 1,
volume = 53,
place = {Denmark},
year = {2020},
month = {2}
}

Journal Article:
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https://doi.org/10.1107/S1600576719016832

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