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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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Slater, Peter
University of Birmingham
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (45/45 displayed)
- 2024Direct recycling of EV production scrap NMC532 cathode materialscitations
- 2024Phase-selective recovery and regeneration of end-of-life electric vehicle blended cathodes via selective leaching and direct recyclingcitations
- 2023The effects of sintering temperature and current contacting layer on the performance of lanthanum nickelate electrodes in Solid Oxide Fuel Cellscitations
- 2023Phase-selective recovery and regeneration of end-of-life electric vehicle blended cathodes via selective leaching and direct recyclingcitations
- 2023Assessing boron doped Ba2In1.8Si0.2O5.1 as a potential electrolyte for use in ceramic electrolyte fuel cellscitations
- 2023Rapid sintering of Li6.5La3Zr1Nb0.5Ce0.25Ti0.25O12 for high density lithium garnet electrolytes with current induced in-situ interfacial resistance reduction.citations
- 2022Roadmap on Li-ion battery manufacturing researchcitations
- 2022Rheology and structure of lithium‐ion battery electrode slurriescitations
- 2021Electrochemical reduction and oxidation of Ruddlesden–Popper-type La2NiO3F2 within fluoride-ion batteriescitations
- 2021Evaluation of Ga0.2Li6.4Nd3Zr2O12 garnetscitations
- 2021Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO2.67citations
- 2020Synthesis and characterisation of Sr4Fe3-xCrxO10-δ citations
- 2020Carbon dioxide and water incorporation mechanisms in SrFeO3−δ phasescitations
- 2020Suitability of strontium and cobalt-free perovskite cathodes with La9.67Si5AlO26 apatite electrolyte for intermediate temperature solid oxide fuel cellscitations
- 2020Topochemical fluorination of n = 2 Ruddlesden–Popper type Sr3Ti2O7 to Sr3Ti2O5F4 and its reductive defluorinationcitations
- 2019BaCoO2+δcitations
- 2018Topochemical Fluorination of La2NiO4+d:citations
- 2016Exploring the mixed transport properties of sulfur (VI)-doped Ba2In2O5 for intermediate-temperature electrochemical applicationscitations
- 2016Modification of magnetic and electronic properties, in particular superconductivity, by low temperature insertion of fluorine into oxidescitations
- 2016Synthesis, structural characterisation and proton conduction of two new hydrated phases of barium ferrite BaFeO2.5−x(OH)2xcitations
- 2015Crystal chemical analysis of Nd9.33Si6O26 and Nd8Sr2Si6O26 apatite electrolytes using aberration-corrected scanning transmission electron microscopy and impedance spectroscopycitations
- 2015Laser machining of LaNi0.6M0.4O3−δ (M: Co, Fe) dip-coated on a Fe-22Cr mesh material to obtain a new contact coating for SOFCcitations
- 2015Synthesis and characterization of novel Ge doped Sr1−yCayFeO3−δ SOFC cathode materialscitations
- 2014LaNi0.6Co0 4O3−δ dip-coated on Fe–Cr mesh as a composite cathode contact material on intermediate solid oxide fuel cellscitations
- 2014Crystallographic and magnetic structure of the perovskite-type compound BaFeO2.5 : unrivaled complexity in oxygen vacancy orderingcitations
- 2014High valence transition metal doped strontium ferrites for electrode materials in symmetrical SOFCscitations
- 2014Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed Si/Ge-based apatite-type phasescitations
- 2013Investigation into the effect of Si doping on the performance of SrFeO3−δ SOFC electrode materialscitations
- 2013Investigation into the effect of Si doping on the performance of Sr1−yCayMnO3−δ SOFC cathode materialscitations
- 2012Low temperature fluorination of Sr3Fe2O7-x with polyvinylidine fluoride: An X-ray powder diffraction and Mossbauer spectroscopy studycitations
- 2012Synthesis and characterisation of oxyanion-doped manganites for potential application as SOFC cathodescitations
- 2011Structure and magnetic properties of the cubic oxide fluoride BaFeO2Fcitations
- 2010Synthesis and characterisation of the SrxBa1-xFeO3-y-system and the fluorinated phases SrxBa1-xFeO2Fcitations
- 2010Crystal chemistry and optimization of conductivity in 2A, 2M and 2H alkaline earth lanthanum germanate oxyapatite electrolyte polymorphscitations
- 2009Fluorination of perovskite-related phases of composition SrFe1-xSnxO3-deltacitations
- 2009Solid-State Materials for Clean Energy: Insights from Atomic-Scale Modeling
- 2008A high temperature powder neutron diffraction structural study of the apatite-type oxide ion conductor, La9.67Si6O26.5citations
- 2008Synthesis and structural investigation of a new oxide fluoride of composition Ba2SnO2.5F3·xH2O (x≈0.5)citations
- 2008Magnetic order in perovskite-related SrFeO2Fcitations
- 2007Insight into doping effects in apatite silicate ionic conductorscitations
- 2007Investigation of the structural changes on Zn doping in the apatite-type oxide ion conductor La9.33Si6O26citations
- 2007Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studiescitations
- 2007Structural studies of the proton conducting perovskite 'La0.6Ba0.4ScO2.8'citations
- 2007Cooperative mechanisms of fast-ion conduction in gallium-based oxides with tetrahedral moietiescitations
- 2006Neutron diffraction and atomistic simulation studies of Mg doped apatite-type oxide ion conductorscitations
Places of action
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article
Carbon dioxide and water incorporation mechanisms in SrFeO3−δ phases
Abstract
With a higher propensity for low temperature synthesis routes along with a move toward lower solid oxide fuel cell operating temperatures, water and carbon dioxide incorporation in strontium ferrite is of importance. Despite this, the mechanisms are not well understood. In this work, classical-potential-based computational techniques are used to determine the favourability of water and CO<sub>2</sub> incorporation mechanisms in both SrFeO<sub>3−δ</sub> and SrFeO<sub>2.5</sub>. Our studies suggest that intrinsic Frenkel and Schottky type defects are unlikely to form, but that water and carbon dioxide incorporation are favourable in both phases. Water incorporation is likely for both the cubic and brownmillerite phases, with hydroxyl ions preferring to sit on octahedral oxygen sites in both structures, causing slight tilting of the shared octahedra. Interstitial hydroxyl ions are only likely for the brownmillerite phase, where the hydroxyl ions are most stable between adjacent FeO<sub>4</sub> tetrahedral chains. Carbon dioxide incorporation via carbonate defects is most favourable when a carbonate molecule exists on an iron site, preferring the iron site with lower oxygen coordination. This involves formation of multiple oxygen vacancies surrounding the iron site, and thus we conclude that carbonate can trap oxygen vacancies.