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Author Müller, M.; Turner, S.; Lebedev, O.I.; Wang, Y.; Van Tendeloo, G.; Fischer, R.A.
Title Au@MOF-5 and Au/Mox@MOF-5 (M = Zn, Ti; x = 1, 2) : preparation and microstructural characterisation Type A1 Journal article
Year 2011 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 12 Pages 1876-1887
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000289644300004 Publication Date 2011-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 75 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 2.444; 2011 IF: 3.049
Call Number UA @ lucian @ c:irua:88644 Serial 205
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Author Carraro, G.; Maccato, C.; Bontempi, E.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Depero, L.E.; Van Tendeloo, G.; Barreca, D.
Title Insights on growth and nanoscopic investigation of uncommon iron oxide polymorphs Type A1 Journal article
Year 2013 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 31 Pages 5454-5461
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Si(100)-supported Fe2O3 nanomaterials were developed by a chemical vapor deposition (CVD) approach. The syntheses, which were performed at temperatures between 400 and 550 °C, selectively yielded the scarcely studied β- and ϵ-Fe2O3 polymorphs under O2 or O2 + H2O reaction environments, respectively. Correspondingly, the observed morphology underwent a progressive evolution from interconnected nanopyramids to vertically aligned nanorods. The present study aims to provide novel insights into Fe2O3 nano-organization by a systematic investigation of the system structure/morphology and of their interrelations with growth conditions. In particular, for the first time, the β- and ϵ-Fe2O3 preparation process has been accompanied by a thorough multitechnique investigation, which, beyond X-ray photoelectron spectroscopy (XPS) and field-emission scanning electron microscopy (FESEM), is carried out by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), scanning TEM electron energy-loss spectroscopy (STEM-EELS), and high-angle annular dark-field STEM (HAADF-STEM). Remarkably, the target materials showed a high structural and compositional homogeneity throughout the whole thickness of the nanodeposit. In particular, spatially resolved EELS chemical maps through the spectrum imaging (SI) technique enabled us to gain important information on the local Fe coordination, which is of crucial importance in determining the system reactivity. The described preparation method is in fact a powerful tool to simultaneously tailor phase composition and morphology of iron(III) oxide nanomaterials, the potential applications of which include photocatalysis, magnetic devices, gas sensors, and anodes for Li-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000330567000009 Publication Date 2013-10-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 18 Open Access
Notes Fwo; Countatoms Approved Most recent IF: 2.444; 2013 IF: 2.965
Call Number UA @ lucian @ c:irua:110946 Serial 1676
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Author Meilikhov, M.; Yusenko, K.; Esken, D.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
Title Metals@MOFs – loading MOFs with metal nanoparticles for hybrid functions Type A1 Journal article
Year 2010 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2010 Issue 24 Pages 3701-3714
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000281684300001 Publication Date 2010-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 366 Open Access
Notes Esteem 026019 Approved Most recent IF: 2.444; 2010 IF: 2.910
Call Number UA @ lucian @ c:irua:85495 Serial 2014
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Author Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G.
Title Mixed tellurides Ni3-xGaTe2 (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering Type A1 Journal article
Year 2010 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 9 Pages 1395-1404
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000276370300009 Publication Date 2010-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948;1099-0682; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 8 Open Access
Notes Approved Most recent IF: 2.444; 2010 IF: 2.910
Call Number UA @ lucian @ c:irua:82266 Serial 2090
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Author Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.
Title New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis Type A1 Journal article
Year 2011 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 27 Pages 4234-4240
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000296143500014 Publication Date 2011-08-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 7 Open Access
Notes Fwo Approved Most recent IF: 2.444; 2011 IF: 3.049
Call Number UA @ lucian @ c:irua:91574 Serial 2315
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Author Avila-Brande, D.; Otero-Díaz, L.C.; Landa-Cánovas, A.R.; Bals, S.; Van Tendeloo, G.
Title A new Bi4Mn1/3W2/3O8Cl Sillén-Aurivillius intergrowth: synthesis and structural characterisation by quantitative transmission electron microscopy Type A1 Journal article
Year 2006 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 9 Pages 1853-1858
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The synthesis and structural characterisation of a new phase with nominal composition Bi4Mn1/3W2/3O8Cl is presented. Conventional and analytical transmission electron microscopy are used to determine the composition, unit-cell symmetry and space group of the compound, whereas a structural model is deducted by exit-wave reconstruction in the transmission electron microscope. This technique allows the microscope information limit of 1.1 angstrom to be reached and the (light) oxygen atoms in the presence of heavier atoms (Bi, W, Mn) to be imaged. The average structure is refined from Xray powder diffraction data using the Rietveld method yielding an orthorhombic unit cell with lattice parameters a 5.467(4) angstrom, b = 5.466(7) angstrom and c = 14.159(3) angstrom and space group Cm2m, which could be described as a Sillen-Aurivillius intergrowth. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000237617800016 Publication Date 2006-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948;1099-0682; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 12 Open Access
Notes Approved Most recent IF: 2.444; 2006 IF: 2.704
Call Number UA @ lucian @ c:irua:59436 Serial 2335
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Author Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P.
Title Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water Type A1 Journal article
Year 2016 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2016 Issue 2016 Pages 4395-4401
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000386166900019 Publication Date 2016-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 27 Open Access
Notes Approved Most recent IF: 2.444
Call Number UA @ lucian @ c:irua:139220 Serial 4442
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Author Loreto, S.; Vanrompay, H.; Mertens, M.; Bals, S.; Meynen, V.
Title The influence of acids on tuning the pore size of mesoporous TiO2 templated by non-ionic block copolymers Type A1 Journal article
Year 2018 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2018 Issue 2018 Pages 62-65
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract <script type='text/javascript'>document.write(unpmarked('We show the possibility to tune the pore size of mesoporous TiO2 templated by non-ionic block copolymers by adding different inorganic acids at well-chosen concentration. The effect of the inorganic anions on both the TiO2 cluster formation and the non-ionic block copolymers micelles is investigated to explain the experimental results.'));
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000419706000008 Publication Date 2017-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 6 Open Access OpenAccess
Notes ; This work was supported by the Research Foundation-Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). Hans Vanrompay gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO grant 1S32617N). Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.444
Call Number UA @ lucian @ c:irua:147897UA @ admin @ c:irua:147897 Serial 4881
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Author Fedotov, S.S.; Aksyonov, D.A.; Samarin, A.S.; Karakulina, O.M.; Hadermann, J.; Stevenson, K.J.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E., V
Title Tuning the crystal structure of A2CoPO4F(A=Li,Na) fluoride-phosphates : a new layered polymorph of LiNaCoPO4F Type A1 Journal article
Year 2019 Publication (up) European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2019 Issue 2019 Pages 4365-4372
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Co-containing fluoride-phosphates are of interest in sense of delivering high electrode potentials and attractive specific energy values as positive electrode materials for rechargeable batteries. In this paper we report on a new Co-based fluoride-phosphate, LiNaCoPO4F, with a layered structure (2D), which was Rietveld-refined based on X-ray powder diffraction data [P2(1)/c, a = 6.83881(4) angstrom, b = 11.23323(5) angstrom, c = 5.07654(2) angstrom, beta = 90.3517(5) degrees, V = 389.982(3) angstrom(3)] and validated by electron diffraction and high-resolution scanning transmission electron microscopy. The differential scanning calorimetry measurements revealed that 2D-LiNaCoPO4F forms in a narrow temperature range of 520-530 degrees C and irreversibly converts to the known 3D-LiNaCoPO4F modification (Pnma) above 530 degrees C. The non-carbon-coated 2D-LiNaCoPO4F shows reversible electrochemical activity in Li-ion cell in the potential range of 3.0-4.9 V vs. Li/Li+ with an average potential of approximate to 4.5 V and in Na-ion cell in the range of 3.0-4.5 V vs. Na/Na+ exhibiting a plateau profile centered around 4.2 V, in agreement with the calculated potentials by density functional theory. The energy barriers for both Li+ and Na+ migration in 2D-LiNaCoPO4F amount to 0.15 eV along the [001] direction rendering 2D-LiNaCoPO4F as a viable electrode material for high-power Li- and Na-ion rechargeable batteries. The discovery and stabilization of the 2D-LiNaCoPO4F polymorph indicates that temperature influence on the synthesis of A(2)MPO(4)F fluoride-phosphates needs more careful examination with perspective to unveil new structures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000484135500001 Publication Date 2019-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited Open Access
Notes ; This work is supported by the Russian Science Foundation (grant 17-73-30006). The authors greatly thank Dr. D. Rupasov for TG-DSC experiments, B. D. Shmykov and A. I. Manoilov for assistance with sample preparation, the Skoltech Center for Energy Science and Technology and the Moscow State University Program of Development up to 2020. J. Hadermann and O. M. Karakulina acknowledge support from the FWO under grant G040116N. ; Approved Most recent IF: 2.444
Call Number UA @ admin @ c:irua:162857 Serial 5403
Permanent link to this record
 
 
Author Weill; Chevalier; Chambon; Tressaud; Darriet; Etourneau; Van Tendeloo, G.
Title Electron-microscopy investigation of superconducting la2cu(o, f)4+y oxyfluoride Type A1 Journal article
Year 1993 Publication (up) European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 30 Issue 11 Pages 1095-1108
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The fluorination of La2CuO4 can lead to different oxyfluoride compounds depending on the TF2 temperature of the fluorine gas treatment. When 150-degrees-C T(F2) less-than-or-equal-to 200-degrees-c less-than-or-equal-to 200-degrees-C a superconducting material is obtained. Previous neutron diffraction experiments as well as the EXAFS measurements at the La L(III) edge indicate that extra anions lie in an interstitial site between the two (LaO) layers. Electron diffraction patterns clearly show the existence of an incommensurate modulation due to the presence of shear planes. A second phase is also pointed out which can be obtained as a major component when the fluorination temperature is raised to 230-degrees-C. This phase which is not a superconductor crystallizes with the monoclinic symmetry.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1993MX13500006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:95476 Serial 954
Permanent link to this record
 
 
Author Weill, F.; Chevalier, B.; Chambon, M.; Tressaud, A.; Darriet, B.; Etourneau, J.; Van Tendeloo, G.
Title Electron microscopy investigation of superconducting La2Cu(O,F)4+y oxyfluoride Type A1 Journal article
Year 1993 Publication (up) European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 30 Issue Pages 1095-1108
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1993MX13500006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:7505 Serial 955
Permanent link to this record
 
 
Author Daniel, P.; Barbey, L.; Groult, D.; Nguyen, N.; Van Tendeloo, G.; Raveau, B.
Title Mixed valent iron oxides with the 0201-1201 intergrowth structure: (Pb1-xTlx)Sr4Fe2O9 (0≤x≤1) Type A1 Journal article
Year 1994 Publication (up) European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 31 Issue Pages 235-244
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1994NQ48700004 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 12 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10030 Serial 2093
Permanent link to this record
 
 
Author Bontchev, R.; Darriet, B.; Darriet, J.; Weill, F.; Van Tendeloo, G.; Amelinckx, S.
Title New cation deficient perovskite-like oxides in the system La4Ti3O12-LaTiO3 Type A1 Journal article
Year 1993 Publication (up) European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 30 Issue Pages 521-537
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1993LH73600003 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 19 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:6834 Serial 2307
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Author Tobías, G.; Beltrán-Porter, D.; Lebedev, O.I.; Van Tendeloo, G.; Rodríguez-Carvajal, J.; Fuertes, A.
Title Anion ordering and defect structure in Ruddlesden-Popper strontium niobium oxynitrides Type A1 Journal article
Year 2004 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 43 Issue 25 Pages 8010-8017
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000225717700020 Publication Date 2004-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 31 Open Access
Notes Approved Most recent IF: 4.857; 2004 IF: 3.454
Call Number UA @ lucian @ c:irua:54873 Serial 120
Permanent link to this record
 
 
Author Batuk, M.; Turner, S.; Abakumov, A.M.; Batuk, D.; Hadermann, J.; Van Tendeloo, G.
Title Atomic structure of defects in anion-deficient perovskite-based ferrites with a crystallographic shear structure Type A1 Journal article
Year 2014 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 53 Issue 4 Pages 2171-2180
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Crystallographic shear (CS) planes provide a new structure-generation mechanism in the anion-deficient perovskites containing lone-pair cations. Pb2Sr2Bi2Fe6O16, a new n = 6 representative of the AnBnO3n2 homologous series of the perovskite-based ferrites with the CS structure, has been synthesized using the solid-state technique. The structure is built of perovskite blocks with a thickness of four FeO6 octahedra spaced by double columns of FeO5 edge-sharing distorted tetragonal pyramids, forming 1/2[110](101)p CS planes (space group Pnma, a = 5.6690(2) Å, b = 3.9108(1) Å, c = 32.643(1) Å). Pb2Sr2Bi2Fe6O16 features a wealth of microstructural phenomena caused by the flexibility of the CS planes due to the variable ratio and length of the constituting fragments with {101}p and {001}p orientation. This leads to the formation of waves, hairpins, Γ-shaped defects, and inclusions of the hitherto unknown layered anion-deficient perovskites Bi2(Sr,Pb)Fe3O8.5 and Bi3(Sr,Pb)Fe4O11.5. Using a combination of diffraction, imaging, and spectroscopic transmission electron microscopy techniques this complex microstructure was fully characterized, including direct determination of positions, chemical composition, and coordination number of individual atomic species. The complex defect structure makes these perovskites particularly similar to the CS structures in ReO3-type oxides. The flexibility of the CS planes appears to be a specific feature of the Sr-based system, related to the geometric match between the SrO perovskite layers and the {100}p segments of the CS planes.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000332144100039 Publication Date 2014-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes Countatoms; FWO Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:113507 Serial 198
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Author Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J.
Title Cation ordering and flexibility of the BO42- tetrahedra in incommensurately modulated CaEu2(BO4)4 (B = Mo, W) scheelites Type A1 Journal article
Year 2014 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 53 Issue 17 Pages 9407-9415
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b*, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a* + 0.82068(9)b*, q(2) = -0.82068(9)a* + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000341229600068 Publication Date 2014-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 48 Open Access
Notes Fwo G039211n Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292 Serial 297
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Author Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V.
Title Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties Type A1 Journal article
Year 2013 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 14 Pages 8272-8279
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000322087100052 Publication Date 2013-06-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access
Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:109214 Serial 301
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Author Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A.
Title Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study Type A1 Journal article
Year 2012 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 3 Pages 1386-1399
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000300474700029 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:96729 Serial 515
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Author King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V.
Title Crystal structure and phase transitions in Sr3WO6 Type A1 Journal article
Year 2010 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 49 Issue 13 Pages 6058-6065
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000279211500036 Publication Date 2010-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:83877 Serial 562
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Author Abakumov, A.M.; King, G.; Laurinavichute, V.K.; Rozova, M.G.; Woodward, P.M.; Antipov, E.V.
Title The crystal structure of \alpha-K3AIF6: elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework Type A1 Journal article
Year 2009 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 48 Issue 19 Pages 9336-9344
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure of α-K3AlF6 was solved and refined from a combination of powder X-ray and neutron diffraction data (a = 18.8385(3)Å, c = 33.9644(6)Å, S.G. I41/a, Z = 80, RP(X-ray) = 0.037, RP(neutron) = 0.053). The crystal structure is of the A2BB′X6 elpasolite type with the a = b ≈ ae√5, c = 4ae superstructure (ae, parameter of the elpasolite subcell) and rock-salt-type ordering of the K and Al cations over the B and B′ positions, respectively. The remarkable feature of α-K3AlF6 is a rotation of 2/5 of the AlF6 octahedra by π/4 around one of the crystal axes of the elpasolite subcell, coinciding with the 4-fold symmetry axes of the AlF6 octahedra. The rotation of the AlF6 octahedra replaces the corner-sharing between the K and Al polyhedra by edge-sharing, resulting in an increase of coordination numbers of the K cations at the B positions up to 7 and 8. Due to significant deformations of the K polyhedra, the corner-sharing connectivity of the octahedral elpasolite framework is broken and the rotations of the AlF6 octahedra do not have a cooperative character. Elpasolites and double perovskites with similar structural organization are discussed. The difference in ionic radii of the B and B′ cations as well as the tolerance factor are proposed to be the parameters governing the formation of elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000270091000039 Publication Date 2009-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 20 Open Access
Notes Approved Most recent IF: 4.857; 2009 IF: 4.657
Call Number UA @ lucian @ c:irua:79733 Serial 568
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Author Batuk, D.; Batuk, M.; Abakumov, A.M.; Tsirlin, A.A.; McCammon, C.M.; Dubrovinsky, L.; Hadermann, J.
Title Effect of lone-electron-pair cations on the orientation of crystallographic shear planes in anion-deficient perovskites Type A1 Journal article
Year 2013 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 17 Pages 10009-10020
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Factors affecting the structure and orientation of the crystallographic shear (CS) planes in anion-deficient perovskites are investigated using the (Pb1−zSrz)1−xFe1+xO3−y perovskites as a model system. The orientation of the CS planes in the system varies unevenly with z. A comparison of the structures with different CS planes revels that the orientation of the CS planes is governed mainly by the stereochemical activity of the lone-electron-pair cations inside the perovskite blocks.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000326129000037 Publication Date 2013-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 11 Open Access
Notes Fwo Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:111394 Serial 822
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Author Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Rozova, M.G.; Sarakinou, E.; Antipov, E.V.
Title Expanding the Ruddlesden-Popper manganite family : the n=3 La3.2Ba0.8Mn3O10 Member Type A1 Journal article
Year 2012 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 21 Pages 11487-11492
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract La3.2Ba0.8Mn3O10, a representative of the rare n = 3 members of the Ruddlesden-Popper manganites A(n+1)Mn(n)O(3n+1), was synthesized in an evacuated sealed silica tube. Its crystal structure was refined from a combination of powder X-ray diffraction (PXD) and precession electron diffraction (PED) data, with the rotations of the MnO6 octahedra described within the symmetry-adapted mode approach (space group Cccm, a = 29.068(1) angstrom, b = 5.5504(5) angstrom, c = 5.5412(5) angstrom; PXD RF = 0.053, RP = 0.026; PED RF = 0.248). The perovskite block in La3.2Ba0.8Mn3O10 features an octahedral tilting distortion with out-of-phase rotations of the Mn06 octahedra according to the (Phi,Phi,0)(Phi,Phi,0) mode, observed for the first time in the n = 3 Ruddlesden-Popper structures. The Mn06 octahedra demonstrate a noticeable deformation with the elongation of two apical Mn-O bonds due to the Jahn-Teller effect in the Mn3+ cations. The relationships between the octahedral tilting distortion, the ionic radii of the cations at the A- and B-positions, and the mismatch between the perovslcite and rock-salt blocks of the Ruddlesden-Popper structure are discussed. At low temperatures, La3.2Ba0.8Mn3O10 reveals a sizable remnant magnetization of about 1.3 mu(B)/Mn at 2K, and shows signatures of spin freezing below 150 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000313220200036 Publication Date 2012-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 2 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:110121 Serial 1133
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Author King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V.
Title The high-temperature polymorphs of K3AlF6 Type A1 Journal article
Year 2011 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 50 Issue 16 Pages 7792-7801
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000293493100052 Publication Date 2011-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 19 Open Access
Notes Approved Most recent IF: 4.857; 2011 IF: 4.601
Call Number UA @ lucian @ c:irua:91131 Serial 1468
Permanent link to this record
 
 
Author Retuerto, M.; Yin, Z.; Emge, T.J.; Stephens, P.W.; Li, M.R.; Sarkar, T.; Croft, M.C.; Ignatov, A.; Yuan, Z.; Zhang, S.J.; Jin, C.; Paria Sena, R.; Hadermann, J.; Kotliar, G.; Greenblatt, M.;
Title Hole doping and structural transformation in CsTl1-xHgxCl3 Type A1 Journal article
Year 2015 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 54 Issue 54 Pages 1066-1075
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract CsTlCl3 and CsTlF3 perovskites have been theoretically predicted to be superconductors when properly hole-doped. Both compounds have been previously prepared as pure compounds: CsTlCl3 in a tetragonal (I4/m) and a cubic (Fm3̅m) perovskite polymorph and CsTlF3 as a cubic perovskite (Fm3̅m). In this work, substitution of Tl in CsTlCl3 with Hg is reported, in an attempt to hole-dope the system and induce superconductivity. The whole series CsTl1xHgxCl3 (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 0.8) was prepared. CsTl0.9Hg0.1Cl3 is tetragonal as the more stable phase of CsTlCl3. However, CsTl0.8Hg0.2Cl3 is already cubic with the space group Fm3̅m and with two different positions for Tl+ and Tl3+. For x = 0.4 and 0.5, solid solutions could not be formed. For x ≥ 0.6, the samples are primitive cubic perovskites with one crystallographic position for Tl+, Tl3+, and Hg2+. All of the samples formed are insulating, and there is no signature of superconductivity. X-ray absorption spectroscopy indicates that all of the samples have a mixed-valence state of Tl+ and Tl3+. Raman spectroscopy shows the presence of the active TlClTl stretching mode over the whole series and the intensity of the TlClHg mode increases with increasing Hg content. First-principle calculations confirmed that the phases are insulators in their ground state and that Hg is not a good dopant in the search for superconductivity in this system.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000348887400048 Publication Date 2014-12-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 5 Open Access
Notes Approved Most recent IF: 4.857; 2015 IF: 4.762
Call Number c:irua:124420 Serial 1476
Permanent link to this record
 
 
Author Batuk, M.; Batuk, D.; Tsirlin, A.A.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.
Title Homologous series of layered perovskites An+1BnO3n-1Cl : crystal and magnetic structure of a new oxychloride Pb4BiFe4O11Cl Type A1 Journal article
Year 2013 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 4 Pages 2208-2218
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The nuclear and magnetic structure of a novel oxychloride Pb4BiFe4O11Cl has been studied over the temperature range 1.5700 K using a combination of transmission electron microscopy and synchrotron and neutron powder diffraction [space group P4/mbm, a = 5.5311(1) Å, c = 19.586(1) Å, T = 300 K]. Pb4BiFe4O11Cl is built of truncated (Pb,Bi)3Fe4O11 quadruple perovskite blocks separated by CsCl-type (Pb,Bi)2Cl slabs. The perovskite blocks consist of two layers of FeO6 octahedra located between two layers of FeO5 tetragonal pyramids. The FeO6 octahedra rotate about the c axis, resulting in a √2ap × √2ap × c superstructure. Below TN = 595(17) K, Pb4BiFe4O11Cl adopts a G-type antiferromagnetic structure with the iron magnetic moments confined to the ab plane. The ordered magnetic moments at 1.5 K are 3.93(3) and 3.62(4) μB on the octahedral and square-pyramidal iron sites, respectively. Pb4BiFe4O11Cl can be considered a member of the perovskite-based An+1BnO3n1Cl homologous series (A = Pb/Bi; B = Fe) with n = 4. The formation of a subsequent member of the series with n = 5 is also demonstrated.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000315255200067 Publication Date 2013-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:106185 Serial 1486
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Author Batuk, D.; Hadermann, J.; Abakumov, A.; Vranken, T.; Hardy, A.; van Bael, M.; Van Tendeloo, G.
Title Layered perovskite-like Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of crystallographic shear planes Type A1 Journal article
Year 2011 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 50 Issue 11 Pages 4978-4986
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Pb2Fe2O5 compound with a layered intergrowth structure has been prepared by a solid-state reaction at 700 °C. The incommensurate compound crystallizes in a tetragonal system with a = 3.9037(2) Å, c = 3.9996(4) Å, and q = 0.1186(4)c*, or when treated as a commensurate approximant, a = 3.9047(2) Å, c = 36.000(3) Å, space group I4/mmm. The crystal structure of Pb2Fe2O5 was resolved from transmission electron microscopy data. Atomic coordinates and occupancies of the cation positions were estimated from high-angle annular dark-field scanning transmission electron microscopy data. Direct visualization of the positions of the oxygen atoms was possible using annular bright-field scanning transmission electron microscopy. The structure can be represented as an intergrowth of perovskite blocks and partially disordered blocks with a structure similar to that of the Bi2O2 blocks in Aurivillius-type phases. The A-cation positions at the border of the perovskite block and the cation positions in the Aurivillius-type blocks are jointly occupied by Pb2+ and Fe3+ cations, resulting in a layer sequence along the c axis: PbOFeO2PbOFeO2Pb7/8Fe1/8O1xFe5/8Pb3/8O2Fe5/8Pb3/8. Upon heating, the layered Pb2Fe2O5 structure transforms into an anion-deficient perovskite modulated by periodically spaced crystallographic shear (CS) planes. Considering the layered Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of CS planes allows an explanation of the specific microstructure observed for the CS structures in the PbFeO system.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000290978400038 Publication Date 2011-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 16 Open Access
Notes Approved Most recent IF: 4.857; 2011 IF: 4.601
Call Number UA @ lucian @ c:irua:90141 Serial 1809
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Author Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Hadermann, J.; Hodges, J.P.; Herber, R.H.; Nowik, I.; Greenblatt, M.;
Title Magnetic and structural studies of the multifunctional material SrFe0.75Mo0.25O3-\text{\textgreek{d}} Type A1 Journal article
Year 2012 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 22 Pages 12273-12280
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract SrFe0.75Mo0.25O3-delta has been recently discovered as an extremely efficient electrode for intermediate temperature solid oxide fuel cells (IT-SOFCs). We have performed structural and magnetic studies to fully characterize this multifunctional material. We have observed by powder neutron diffraction (PND) and transmission electron microscopy (TEM) that its crystal symmetry is better explained with a tetragonal symmetry (I4/mcm space group) than with the previously reported orthorhombic symmetry (Pnma space group). The temperature dependent magnetic properties indicate an exceptionally high magnetic ordering temperature (T-N similar to 750 K), well above room temperature. The ordered magnetic structure at low temperature was determined by PND to be an antiferromagnetic coupling of the Fe cations. Mossbauer spectroscopy corroborated the PND results. A detailed study, with X-ray absorption spectroscopy (XAS), in agreement with the Mossbauer results, confirmed the formal oxidation states of the cations to be mixed valence Fe3+/4+ and Mo6+.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000311173700024 Publication Date 2012-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 12 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:105142 Serial 1862
Permanent link to this record
 
 
Author Zhang, H.; Yang, J.-H.; Shpanchenko, R.V.; Abakumov, A.M.; Hadermann, J.; Clérac, R.; Dikarev, E.V.
Title New class of single-source precursors for the synthesis of main group-transition metal oxides: heterobimetallic Pb-Mn \beta-diketonates Type A1 Journal article
Year 2009 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 48 Issue 17 Pages 8480-8488
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Heterometallic lead−manganese â-diketonates have been isolated in pure form by several synthetic methods that include solid-state and solution techniques. Two compounds with different Pb/Mn ratios, PbMn2(hfac)6 (1) and PbMn(hfac)4 (2) (hfac = hexafluoroacetylacetonate), can be obtained in quantitative yield by using different starting materials. Single crystal X-ray investigation revealed that the solid-state structure of 1 contains trinuclear molecules in which lead metal center is sandwiched between two [Mn(hfac)3] units, while 2 consists of infinite chains of alternating [Pb(hfac)2] and [Mn(hfac)2] fragments. The heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating-bridging fashion. Spectroscopic investigation confirmed the retention of heterometallic structures in solutions of non-coordinating solvents as well as upon sublimation-deposition procedure. Thermal decomposition of heterometallic diketonates has been systematically investigated in a wide range of temperatures and annealing times. For the first time, it has been shown that thermal decomposition of heterometallic diketonates results in mixed-metal oxides, while both the structure of precursors and the thermolysis conditions have a significant influence on the nature of the resulting oxides. Five different Pb−Mn oxides have been detected by X-ray powder diffraction when studying the decomposition of 1 and 2 in the temperature range 500−800 °C. The phase that has been previously reported as Pb0.43MnO2.18 was synthesized in the pure form by decomposition of 1, and crystallographically characterized. The orthorhombic unit cell parameters of this oxide, obtained by electron diffraction technique, have been subsequently refined using X-ray powder diffraction data. Besides that, a previously unknown lead−manganese oxide has been obtained at low temperature decomposition and short annealing times. The parameters of its monoclinically distorted unit cell have been determined. The EDX analysis revealed that this compound has a Pb/Mn ratio close to 1:4 and contains no appreciable amount of fluorine.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000269313500056 Publication Date 2009-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 28 Open Access
Notes Approved Most recent IF: 4.857; 2009 IF: 4.657
Call Number UA @ lucian @ c:irua:78486 Serial 2308
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Author Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
Title Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 Type A1 Journal article
Year 2010 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 49 Issue 4 Pages 1295-1297
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000274240700009 Publication Date 2010-01-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access
Notes Iap Iv Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:80990 Serial 2507
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Author Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.;
Title Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites Type A1 Journal article
Year 2013 Publication (up) Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 21 Pages 12482-12491
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000326669200035 Publication Date 2013-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 17 Open Access
Notes Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:112714 Serial 2656
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