| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Villesuzanne, Antoine
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (21/21 displayed)
- 2024Ru/CeTX (T = Ti, Sc; X = Ge, Si) intermetallic catalysts for NH3 synthesis at low temperature (300 °C): insight into formulation and related mechanisms
- 2023CeScSi-type intermetallics: Modulation of magnetic properties through light elements insertion and catalysis of ammonia
- 2023Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1–x (x = 0.08, 0.2) with a layered perovskite networkcitations
- 2023Influence of the rare earth (R) element in Ru-supported RScSi electride-like intermetallic catalysts for ammonia synthesis at low pressure: insight into NH3 formation mechanismcitations
- 2023Electride intermetallics RScSi (R= rare-earth): Insertion of light elements and ammonia catalytic synthesis
- 2020Are superconductivity mechanisms a matter for chemists?citations
- 2020Are Superconductivity Mechanisms a Matter for Chemists?citations
- 2019Effect of carbon insertion on the structural and magnetic properties of NdScSicitations
- 2018Hydrogen insertion in the intermetallic GdScGe: a drastic reduction of the dimensionality of the magnetic and transport propertiescitations
- 2018(Nd/Pr)2NiO4+δ: reaction intermediates and redox behavior explored by in situ neutron powder diffraction during electrochemical oxygen intercalationcitations
- 2018Molecular-dynamics simulations of binary Pd-Si metal alloys: Glass formation, crystallisation and cluster propertiescitations
- 2017Presence of Peierls pairing and absence of insulator-to-metal transition in VO2 (A): a structure-property relationship study.citations
- 2015Structurally restricted phase transitions in VO2(B) and their impact on transport propertiescitations
- 2010Condensed [OPr<sub>4</sub>]<sup>10+</sup> and Discrete [AsO<sub>3</sub>]<sup>3–Ψ1</sup>-Tetrahedra in Pr<sub>5</sub>O<sub>4</sub>Cl[AsO<sub>3</sub>]<sub>2</sub>citations
- 2007First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7citations
- 2006First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7citations
- 2005Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysiscitations
- 2005Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies.citations
- 2005Comparative electronic band structure study of the intrachain ferromagnetic versus antiferromagnetic coupling in the magnetic oxides Ca3Co2O6 and Ca3FeRhO6citations
- 2005Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2citations
- 2002Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO(3) and CaFeO(3).citations
Places of action
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article
Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1–x (x = 0.08, 0.2) with a layered perovskite network
Abstract
Sr2FeO3F, an oxyfluoride compound with an n = 1 Ruddlesden–Popper structure, was identified as a potential interesting mixed ionic and electronic conductor (MIEC). The phase can be synthesized under a range of different pO2 atmospheres, leading to various degrees of fluorine for oxygen substitution and Fe4+ content. A structural investigation and thorough comparison of both argon- and air-synthesized compounds were performed by combining high-resolution X-ray and electron diffraction, high-resolution scanning transmission electron microscopy, Mössbauer spectroscopy, and DFT calculations. While the argon-synthesized phase shows a well-behaved O/F ordered structure, this study revealed that oxidation leads to averaged large-scale anionic disorder on the apical site. In the more oxidized Sr2FeO3.2F0.8 oxyfluoride, containing 20% of Fe4+, two different Fe positions can be identified with a 32%/68% occupancy (P4/nmm space group). This originates due to the presence of antiphase boundaries between ordered domains within the grains. Relations between site distortion and valence states as well as stability of apical anionic sites (O vs F) are discussed. This study paves the way for further studies on both ionic and electronic transport properties of Sr2FeO3.2F0.8 and its use in MIEC-based devices, such as solid oxide fuel cells.