| 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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Ashbrook, Sharon. E.
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2024Site-directed cation ordering in chabazite-type AlxGa1–xPO4-34 frameworks revealed by NMR crystallographycitations
- 2024In situ single-crystal X-ray diffraction studies of physisorption and chemisorption of SO2 within a metal-organic framework and its competitive adsorption with watercitations
- 202313C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-½ defectscitations
- 2022Synthesis of FeAPO-34 molecular sieve under ionothermal conditioncitations
- 2019Visualization of the effect of additives on the nanostructures of individual bio-inspired calcite crystalscitations
- 201817O solid-state NMR spectroscopy of A2B2O7 oxidescitations
- 2017A gel aging effect in the synthesis of open-framework gallium phosphatescitations
- 2016Phase composition and disorder in La2(Sn,Ti)2O7 ceramicscitations
- 2015New insights into phase distribution, phase composition and disorder in Y2(Zr,Sn)2O7 ceramics from NMR spectroscopycitations
- 2015Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interactioncitations
- 2013Color and Brightness Tuning in Heteronuclear Lanthanide Terephthalate Coordination Polymerscitations
- 2013Unusual Phase Behavior in the Piezoelectric Perovskite System, LixNa1-xNbO3citations
- 2013Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculationscitations
- 2011A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NOcitations
- 2009Multinuclear Magnetic Resonance and DFT Studies of the Poly(chlorotrifluoroethylene-alt-ethyl vinyl ether) Copolymerscitations
Places of action
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article
Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculations
Abstract
<p>The solid solution La<sub>1-x</sub>Y<sub>x</sub>ScO<sub>3</sub> (x = 0, 0.2, 0.4, 0.6, 0.8, and 1) has been successfully synthesized using conventional solid-state techniques. Detailed structural characterization has been undertaken using high-resolution neutron powder diffraction and multinuclear (Sc-45, La-139, Y-89, and O-17) solid-state NMR and is supported by first-principles density functional theory calculations. Diffraction data indicate that a reduction in both the unit cell parameters and unit cell volume is observed with increasing x, and an orthorhombic perovskite structure (space group Pbnm) is retained across the series. Sc-45 multiple-quantum (MQ) MAS NMR spectra proved to be highly sensitive to subtle structural changes and, in particular, cation substitutions.NMR spectra of La<sub>1-x</sub>Y<sub>x</sub>ScO<sub>3 </sub>exhibited significant broadening, resulting from distributions of both quadrupolar and chemical shift parameters, owing to the disordered nature of the material. In contrast to previous single-crystal studies, which reveal small deficiencies at both the lanthanide and oxygen sites, the powder samples studied herein are found to be stoichiometric.<br/> </p>