Materials Map

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (1/1 displayed)

  • 2020Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD33citations

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Gaur, Abhijeet
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Stehle, Matthias
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Jensen, Anker Degn
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Raun, Kristian Viegaard
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Grunwaldt, Jan-Dierk
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Høj, Martin
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2020

Co-Authors (by relevance)

  • Gaur, Abhijeet
  • Stehle, Matthias
  • Jensen, Anker Degn
  • Raun, Kristian Viegaard
  • Grunwaldt, Jan-Dierk
  • Høj, Martin
OrganizationsLocationPeople

article

Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD

  • Gaur, Abhijeet
  • Stehle, Matthias
  • Jensen, Anker Degn
  • Raun, Kristian Viegaard
  • Thrane, Joachim
  • Grunwaldt, Jan-Dierk
  • Høj, Martin
Abstract

The structural dynamics and phase transformations of an iron molybdate catalyst with excess molybdenum trioxide (Mo/Fe = 2.0) were studied during redox cycling of the catalyst using in situ multi-edge X-ray absorption spectroscopy (XAS) at the Mo K-edge (transmission mode) and Fe K-edge (fluorescence mode) in combination with X-ray diffraction (XRD). X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) analysis showed that heating under reducing conditions with methanol up to 400 °C produced MoO<sub>2</sub> and FeMoO<sub>4</sub>. Linear combination fitting (LCF) analysis showed that iron was reduced completely, while molybdenum remained partly oxidized (60% as Mo(vi)). Complementary in situ XRD also supported the phase transformation due to reduction of Fe<sub>2</sub>(MoO<sub>4</sub>)<sub>3</sub> and MoO<sub>3 </sub>to FeMoO<sub>4</sub> and MoO<sub>2</sub>. Subsequent heating under oxidative conditions from 200 to 500 °C transformed the catalyst into its initial state via Fe<sub>2</sub>O<sub>3</sub> and extra MoO<sub>3</sub> as intermediate phases. This underlines the segregation and iron enrichment during redox cycling. MoO<sub>3</sub> volatilization, observed under industrial reaction conditions of a methanol and oxygen containing atmosphere, causes this segregation to be permanent. Complete regeneration could only be achieved at 500 °C, which is significantly higher than industrial reaction temperatures. Overall, multi edge in situ XAS along with complementary XRD was found to be an ideal tool for tracing the different amorphous and crystalline phases present during redox cycling of the catalyst.

Topics
  • impedance spectroscopy
  • molybdenum
  • amorphous
  • x-ray diffraction
  • Oxygen
  • crystalline phase
  • iron
  • extended X-ray absorption fine structure spectroscopy