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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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Lightfoot, Philip
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (51/51 displayed)
- 2023Manipulation of structure and optoelectronic properties through bromine inclusion in a layered lead bromide perovskitecitations
- 2023Manipulation of structure and optoelectronic properties through bromine inclusion in a layered lead bromide perovskitecitations
- 2023K2Fe(C2O4)2 : an oxalate cathode for Li/Na ion batteries exhibiting a combination of multielectron cation and anion redoxcitations
- 2023K2Fe(C2O4)2citations
- 2023K 2 Fe(C 2 O 4 ) 2 :an oxalate cathode for Li/Na ion batteries exhibiting a combination of multielectron cation and anion redoxcitations
- 2023K(_2)Fe(C(_2)O(_4))(_2): An Oxalate Cathode for Li/Na-Ion Batteries Exhibiting a Combination of Multielectron Cation and Anion Redoxcitations
- 2022Magnetically driven dielectric and structural behavior in Bi0.5La0.5FeO3citations
- 2021Structural features in some layered hybrid copper chloride perovskitescitations
- 2019New sarcosine-metal halide complexes related to the ferroelectric TSCCcitations
- 2018New sarcosine-metal halide complexes related to the ferroelectric TSCCcitations
- 2016New iron tetrazolate frameworks : synthesis temperature effect, thermal behaviour, Mössbauer and magnetic studiescitations
- 2016Metal-dependent structural variations and the peculiarities of hydrogen-bonded networks in the highly hydrated copper(II), nickel(II) and palladium(II) complexes of bis-dioxocyclamcitations
- 2016Understanding ferroelectricity in layered perovskites : new ideas and insights from theory and experimentscitations
- 2016Magnetic Properties of Transition Metal Fluoride Perovskitescitations
- 2015Understanding ferroelectricity in layered perovskites:new ideas and insights from theory and experimentscitations
- 2015Metal-dependent structural variations and the peculiarities of hydrogen-bonded networks in the highly hydrated copper(II), nickel(II) and palladium(II) complexes of bis-dioxocyclamcitations
- 2015New iron tetrazolate frameworkscitations
- 2015Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experimentscitations
- 2015New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studiescitations
- 2015New iron tetrazolate frameworks:synthesis temperature effect, thermal behaviour, Mössbauer and magnetic studiescitations
- 2015Understanding ferroelectricity in layered perovskitescitations
- 2014Unusual Phase Behavior in the Piezoelectric Perovskite System, LixNa1-xNbO3citations
- 2014Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculationscitations
- 2013Structural study of La 1-x Y x ScO 3 , combining neutron diffraction, solid-state NMR, and first-principles DFT calculationscitations
- 2013Unusual Phase Behavior in the Piezoelectric Perovskite System, Li x Na 1 -x NbO 3citations
- 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
- 2012Magnetically driven dielectric and structural behavior in Bi 0.5 La 0.5 FeO 3citations
- 2012Structural, magnetic and electrical properties of the hexagonal ferrites MFeO3 (M=Y, Yb, In)citations
- 2012Magnetically driven dielectric and structural behavior in Bi0.5La0.5FeO3citations
- 2012Solid State Structural Variations in Copper(II) Complexes of Open-Chain and Macrocyclic Malonamide-Derived Ligandscitations
- 2011High-temperature phase transitions of hexagonal YMnO 3citations
- 2011High-temperature phase transitions of hexagonal YMnO3citations
- 2009A novel non-centrosymmetric metallophosphate-borate compound via ionothermal synthesiscitations
- 2009Lanthanide N,N '-piperazine-bis(methylenephosphonates) (Ln = La, Ce, Nd) that display flexible frameworks, reversible hydration and cation exchangecitations
- 2009Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb 2 O 7citations
- 2009Structural phase transitions in the relaxor ferroelectric Pb 2 Bi 4 Ti 5 O 18citations
- 2009Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7citations
- 2008A new approach to synthesis of layered fluorites containing molecular anions: Synthesis of Ln(2)O(2)CO(3), K(LnO)CO3, and Ln(2)O(2)CrO(4) via metathesis reactionscitations
- 2007SrSeO3 from a combined X-ray and neutron powder diffraction studycitations
- 2006Novel open-framework architectures in lanthanide phosphonatescitations
- 2004Phase equilibria in the Bi 2 TeO 5 -Bi 2 SeO 5 system and a high temperature neutron powder diffraction study of Bi 2 SeO 5citations
- 2004A new zinc pyromellitate, [(C 4 N 2 H 12 ) 0.5 (NH 2 (CH 3 ) 2 ][Zn(C 10 H 2 O 8 )]·1.78H 2 O, with a layered structurecitations
- 2003Orientation dependence of ferroelectric properties of pulsed-laser ablated Bi 4-x Nd x Ti 3 O 12 filmscitations
- 2003A new family of layered bismuth oxohalides
- 2001Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8] hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates
- 2001Ferroelectric properties and crystal structure of the layered intergrowth phase Bi 3 Pb 2 Nb 2 O 11 Clcitations
- 2001Solid-state transformations of zinc 1,4-benzenedicarboxylates mediated by hydrogen-bond-forming molecules
- 2001Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFRcitations
- 2000The crystal structures of BiTeO 3 I, NdTeO 3 X (X = Cl, Br) and Bi 5 TeO 8.5 I 2 : some crystal chemistry peculiarities of layered Bi(Ln)-Te oxyhalides
- 2000Negative thermal expansion in Y 2 (WO 4 ) 3
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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>