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Author Lepoittevin, C.; Hadermann, J.; Malo, S.; Pérez, O.; Van Tendeloo, G.; Hervieu, M.
Title Two variants of the 1/2[110]p(203)p crystallographic shear structures: the phasoid Sr0.61Pb0.18(Fe0.75Mn0.25)O2.29 Type A1 Journal article
Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 48 Issue 17 Pages 8257-8262
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000269313500032 Publication Date 2009-07-24
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 Esteem 026019 Approved (down) Most recent IF: 4.857; 2009 IF: 4.657
Call Number UA @ lucian @ c:irua:78482 Serial 3786
Permanent link to this record
 
 
Author Alekseeva, A.M.; Abakumov, A.M.; Chizhov, P.S.; Leithe-Jasper, A.; Schnelle, W.; Prots, Y.; Hadermann, J.; Antipov, E.V.; Grin, Y.
Title Ternary magnesium rhodium boride Mg2Rh1-xB6+2x with a modified Y2ReB6-type crystal structure Type A1 Journal article
Year 2007 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 46 Issue 18 Pages 7378-7386
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000248984500026 Publication Date 2007-08-09
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 12 Open Access
Notes Approved (down) Most recent IF: 4.857; 2007 IF: 4.123
Call Number UA @ lucian @ c:irua:65595 Serial 3510
Permanent link to this record
 
 
Author Kovnir, K.A.; Sobolev, A.V.; Presniakov, I.A.; Lebedev, O.I.; Van Tendeloo, G.; Schnelle, W.; Grin, Y.; Shevelkov, A.V.
Title Sn19.3Cu4.7As22I8: a new clathrate-I compound with transition-metal atoms in the cationic framework Type A1 Journal article
Year 2005 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 44 Issue 24 Pages 8786-8793
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000233488100020 Publication Date 2005-11-21
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 38 Open Access
Notes Approved (down) Most recent IF: 4.857; 2005 IF: 3.851
Call Number UA @ lucian @ c:irua:56059 Serial 3555
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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 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 (down) Most recent IF: 4.857; 2004 IF: 3.454
Call Number UA @ lucian @ c:irua:54873 Serial 120
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Author Batuk, D.; Tsirlin, A.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.; Hadermann, J.; Abakumov, A.M.
Title Bi(3n+1)Ti7Fe(3n-3)O(9n+11) Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 1245-1257
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The n = 3-6 members of a new perovskite-based homologous series Bi(3n+1)Ti7Fe(3n-3)O(9n+11) are reported. The crystal structure of the n = 3 Bi10Ti7Fe6O38 member is refined using a combination of X-ray and neutron powder diffraction data (a = 11.8511(2) A, b = 3.85076(4) A, c = 33.0722(6) A, S.G. Immm), unveiling the partially ordered distribution of Ti(4+) and Fe(3+) cations and indicating the presence of static random displacements of the Bi and O atoms. All Bi(3n+1)Ti7Fe(3n-3)O(9n+11) structures are composed of perovskite blocks separated by translational interfaces parallel to the (001)p perovskite planes. The thickness of the perovskite blocks increases with n, while the atomic arrangement at the interfaces remains the same. The interfaces comprise chains of double edge-sharing (Fe,Ti)O6 octahedra connected to the octahedra of the perovskite blocks by sharing edges and corners. This configuration shifts the adjacent perovskite blocks relative to each other over a vector (1/2)[110]p and creates S-shaped tunnels along the [010] direction. The tunnels accommodate double columns of the Bi(3+) cations, which stabilize the interfaces owing to the stereochemical activity of their lone electron pairs. The Bi(3n+1)Ti7Fe(3n-3)O(9n+11) structures can be formally considered either as intergrowths of perovskite modules and polysynthetically twinned modules of the Bi2Ti4O11 structure or as intergrowths of the 2D perovskite and 1D anatase fragments. Transmission electron microscopy (TEM) on Bi10Ti7Fe6O38 reveals that static atomic displacements of Bi and O inside the perovskite blocks are not completely random; they are cooperative, yet only short-range ordered. According to TEM, the interfaces can be laterally shifted with respect to each other over +/-1/3a, introducing an additional degree of disorder. Bi10Ti7Fe6O38 is paramagnetic in the 1.5-1000 K temperature range due to dilution of the magnetic Fe(3+) cations with nonmagnetic Ti(4+). The n = 3, 4 compounds demonstrate a high dielectric constant of 70-165 at room temperature.
Address Center for Electrochemical Energy Storage, Skolkovo Institute of Science and Technology , Nobelya str. 3, 143026 Moscow, Russia
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000369356800031 Publication Date 2016-01-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access
Notes We are grateful to the Laboratory for Neutron Scattering and Imaging of Paul Scherrer Institut (LNS PSI, Villigen, Switzerland) for granting beam time at the HRPT diffrac- tometer and to Dr. Denis Sheptyakov for the technical support during the experiment. We are also grateful to Valery Verchenko for his help with magnetization measurements. The work has been supported by the Russian Science Foundation (grant 14-13-00680). A.A.T. was partly supported by the Federal Ministry for Education and Science through a Sofja Kovalevskaya Award of Alexander von Humboldt Foundation. Approved (down) Most recent IF: 4.857
Call Number c:irua:132247 Serial 4073
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Author Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.;
Title Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 4320-4329
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000375519700027 Publication Date 2016-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access
Notes Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:134219 Serial 4258
Permanent link to this record
 
 
Author Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H.
Title Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 7079-7089
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380181400035 Publication Date 2016-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 12 Open Access
Notes Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:140848 Serial 4424
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Author Cassidy, S.J.; Batuk, M.; Batuk, D.; Hadermann, J.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J.
Title Complex Microstructure and Magnetism in Polymorphic CaFeSeO Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 10714-10726
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structural complexity of the antiferromagnetic oxide selenide CaFeSeO is described. The compound contains puckered FeSeO layers composed of FeSe2O2 tetrahedra sharing all their vertexes. Two polymorphs coexist that can be derived from an archetype BaZnSO structure by cooperative tilting of the FeSe2O2 tetrahedra. The polymorphs differ in the relative arrangement of the puckered layers of vertex-linked FeSe2O2 tetrahedra. In a noncentrosymmetric Cmc21 polymorph (a = 3.89684(2) A, b = 13.22054(8) A, c = 5.93625(2) A) the layers are related by the C-centering translation, while in a centrosymmetric Pmcn polymorph, with a similar cell metric (a = 3.89557(6) A, b = 13.2237(6) A, c = 5.9363(3) A), the layers are related by inversion. The compound shows long-range antiferromagnetic order below a Neel temperature of 159(1) K with both polymorphs showing antiferromagnetic coupling via Fe-O-Fe linkages and ferromagnetic coupling via Fe-Se-Fe linkages within the FeSeO layers. The magnetic susceptibility also shows evidence for weak ferromagnetism which is modeled in the refinements of the magnetic structure as arising from an uncompensated spin canting in the noncentrosymmetric polymorph. There is also a spin glass component to the magnetism which likely arises from the disordered regions of the structure evident in the transmission electron microscopy.
Address Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford , South Parks Road, Oxford OX1 3QR, United Kingdom
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000385785700085 Publication Date 2016-10-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access
Notes We acknowledge the financial support of the EPSRC (Grants EP/I017844/1 and EP/M020517/1), the Leverhulme Trust (RPG-2014-221), and the Diamond Light Source (studentship support for S. J. Cassidy). We thank the ESTEEM2 network for enabling the electron microscopy investigations and the ISIS facility and the Diamond Light Source Ltd. for the award of beam time. We thank Dr. P. Manuel for assistance on WISH, Dr. R. I. Smith for assistance on GEM and POLARIS, and Dr. C. Murray and Dr. A. Baker for assistance on I11. Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:136823 Serial 4312
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Author Li, M.-R.; Deng, Z.; Lapidus, S.H.; Stephens, P.W.; Segre, C.U.; Croft, M.; Sena, R.P.; Hadermann, J.; Walker, D.; Greenblatt, M.
Title Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9: in Search of Jahn-Teller Distorted Cr(II) Oxide Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 10135-10142
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel 6H-type hexagonal perovskite Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 was prepared at high pressure (6 GPa) and temperature (1773 K). Both transmission electron microscopy and synchrotron powder X-ray diffraction data demonstrate that Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 crystallizes in P6(3)/mmc with face-shared (Cr0.97(1)Te0.03(1))O-6 octahedral pairs interconnected with TeO6 octahedra via corner-sharing. Structure analysis shows a mixed Cr2+/Cr3+ valence state with similar to 10% Cr2+. The existence of Cr2+ in Ba-3(Cr0.10(1)2+Cr0.87(1)3+Te0.036+)(2)TeO9 is further evidenced by X-ray absorption near-edge spectroscopy. Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy-state curvature at low temperature. In this work, the octahedral Cr2+O6 component is stabilized in an oxide material for the first time; the expected Jahn-Teller distortion of high-spin (d(4)) Cr2+ is not found, which is attributed to the small proportion of Cr2+ (similar to 10%) and the face-sharing arrangement of CrO6 octahedral pairs, which structurally disfavor axial distortion.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000385785700026 Publication Date 2016-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 2 Open Access
Notes Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:140313 Serial 4440
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Author Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J.
Title Synthesis of MAX Phases in the Zr-Ti-Al-C System Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 56 Pages 3489-3498
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397171100045 Publication Date 2017-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 26 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ; Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:141794 Serial 4491
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Author Batuk, D.; Batuk, M.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Tyablikov, O.A.; Hadermann, J.; Abakumov, A.M.
Title Crystal Structure, Defects, Magnetic and Dielectric Properties of the Layered Bi3n+1Ti7Fe3n-3,O9n+11 Perovskite-Anatase lntergrowths Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 56 Pages 931-942
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Bi3n+1Ti7Fe3n-3,O9n+11 materials are built of (001)(p) plane parallel perovskite blocks with a thickness of n (Ti,Fe)O-6 octahedra, separated by periodic translational interfaces. The interfaces are based on anatase-like chains of edge -sharing (Ti,Fe)O-6 octahedra. Together with the octahedra of the perovskite blocks, they create S-shaped tunnels stabilized by lone pair Bi3+ cations. In this work, the structure of the n = 4-6 Bi3n+1Ti7Fe3n-3,O9n+11 homologues is analyzed in detail using advanced transmission electron microscopy, powder X-ray diffraction, and Mossbauer spectroscopy. The connectivity of the anatase-like chains to the perovskite blocks results in,a 3ap periodicity along the interfaces, so that they can be located either on top of each other or with shifts of +/- a(p) along [100](p). The ordered arrangement of the interfaces gives rise to orthorhombic Immm and monoclinic A2/m polymorphs with the unit cell parameters a = 3a(p), b = b(p), c = 2(n + 1)c(p) and a = 3a(p), b = b(p), c = 2(n + 1)c(p) – a(p), respectively. While the n = 3 compound is orthorhombic, the monoclinic modification is more favorable in higher homologues. The Bi3n+1Ti7Fe3n-3,O9n+11 structures demonstrate intricate patterns of atomic displacements in the perovskite blocks, which are supported by the stereochemical activity of the Bi3+ cations. These patterns are coupled to the cationic coordination of the oxygen atoms in the (Ti,Fe)O-2 layers at the border of the perovskite blocks. The coupling is strong in the 1/ = 3, 4 homologues, but gradually reduces with the increasing thickness of the perovskite blocks, so that, in the n = 6 compound, the dominant mode of atomic displacements is aligned along the interface planes. The displacements in the adjacent perovskite blocks tend to order antiparallel, resulting in an overall antipolar structure. The Bi3n+1Ti7Fe3n-3,O9n+11 materials demonstrate an unusual diversity of structure defects. The n = 4-6 homologues are robust antiferromagnets below T-N = 135, 220, and 295 K, respectively. They show a high dielectric constant that weakly increases with temperature and is relatively insensitive to the Ti/Fe ratio.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000392262400029 Publication Date 2016-12-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access
Notes ; The work was supported by the Russian Science Foundation (grant 14-13-00680). ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:141471 Serial 4495
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Author Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C.
Title Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 5 Pages 2566-2575
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000395847300026 Publication Date 2017-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access Not_Open_Access
Notes ; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:142449 Serial 4643
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Author Lander, L.; Rousse, G.; Batuk, D.; Colin, C.V.; Dalla Corte, D.A.; Tarascon, J.-M.
Title Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 4 Pages 2013-2021
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Stabilizing new host structures through potassium extraction from K-based polyanionic materials has been proven to be an interesting approach to develop new Li+/Na+ insertion materials. Pursuing the same trend, we here report the feasibility of preparing langbeinite “Fe-2(SO4)(3)” via electrochemical and chemical oxidation of K2Fe2(SO4)(3). Additionally, we succeeded in stabilizing a new K2Cu2(SO4)(3) phase via a solid-state synthesis approach. This novel compound crystallizes in a complex orthorhombic structure that differs from that of langbeinite as deduced from synchrotron X-ray and neutron powder diffraction. Electrochemically, the performance of this new phase is limited, which we explain in terms of sluggish diffusion kinetics. We further show that K2Cu2(SO4)(3) decomposes into K2Cu3O(SO4)(3) on heating, and we report for the first time the synthesis of fedotovite K2Cu3O(SO4)(3). Finally, the fundamental attractiveness of these S = 1/2 systems for physicists is examined by neutron magnetic diffraction, which reveals the absence of a long-range ordering of Cu2+ magnetic moments down to 1.5 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000394736600027 Publication Date 2017-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 13 Open Access Not_Open_Access
Notes ; We thank Matthieu Courty for performing TGA/DSC measurements. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. Department of Energy under Contract DE-AC02-06CH11357 and is acknowledged. The French CRG D1B is acknowledged for allocating neutron beamtime. L.L. thanks the ANR “Hipolite” for the Ph.D. funding. ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:142531 Serial 4692
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Author Weber, D.; Huber, M.; Gorelik, T.E.; Abakumov, A.M.; Becker, N.; Niehaus, O.; Schwickert, C.; Culver, S.P.; Boysen, H.; Senyshyn, A.; Poettgen, R.; Dronskowski, R.; Ressler, T.; Kolb, U.; Lerch, M.
Title Molybdenum oxide nitrides of the Mo2(O,N,\square)5 type : on the way to Mo2O5 Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 15 Pages 8782-8792
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Blue-colored molybdenum oxide nitrides of the Mo-2(O,N,square)(5) type were synthesized by direct nitridation of commercially available molybdenum trioxide with a mixture of gaseous ammonia and oxygen. Chemical composition, crystal structure, and stability of the obtained and hitherto unknown compounds are studied extensively. The average oxidation state of +5 for molybdenum is proven by Mo K near-edge X-ray absorption spectroscopy; the magnetic behavior is in agreement with compounds exhibiting (MoO6)-O-v units. The new materials are stable up to similar to 773 K in an inert gas atmosphere. At higher temperatures, decomposition is observed. X-ray and neutron powder diffraction, electron diffraction, and high-resolution transmission electron microscopy reveal the structure to be related to VNb9O24.9-type phases, however, with severe disorder hampering full structure determination. Still, the results demonstrate the possibility of a future synthesis of the potential binary oxide Mo2O5. On the basis of these findings, a tentative suggestion on the crystal structure of the potential compound Mo2O5, backed by electronic-structure and phonon calculations from first principles, is given.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000407405500026 Publication Date 2017-07-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access
Notes ; Financial support from the Deutsche Forschungsgemeinschaft (SPP 1415, LE 781/ 11-1, DR 342/22-2) is gratefully acknowledged. The authors are grateful to J. Barthel, Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons Julich, Germany, for STEM image simulations. This work was further supported by Diamond Light Source (beamtime awards EE13560) within beamtime proposal SP13560. The Hamburg Synchrotron Radiation Laboratory, HASYLAB, and the FRM II, Garching, are acknowledged for providing beamtime. ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:145727 Serial 4744
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Author Barreca, D.; Gri, F.; Gasparotto, A.; Altantzis, T.; Gombac, V.; Fornasiero, P.; Maccato, C.
Title Insights into the Plasma-Assisted Fabrication and Nanoscopic Investigation of Tailored MnO2Nanomaterials Type A1 Journal Article
Year 2018 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem
Volume 57 Issue 23 Pages 14564-14573
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract Among transition metal oxides, MnO2 is of considerable importance for various technological end-uses,from heterogeneous catalysis to gas sensing, owing to its

structural flexibility and unique properties at the nanoscale. In this work, we demonstrate the successful fabrication of supported MnO2 nanomaterials by a catalyst-free, plasmaassisted process starting from a fluorinated manganese(II)

molecular source in Ar/O2 plasmas. A thorough multitechnique characterization aimed at the systematic investigation of material structure, chemical composition, and

morphology revealed the formation of F-doped, oxygendeficient, MnO2-based nanomaterials, with a fluorine content tunable as a function of growth temperature (TG). Whereas phase-pure β-MnO2 was obtained for 100 °C ≤ TG ≤ 300 °C, the formation of mixed phase MnO2 + Mn2O3 nanosystems took place at 400 °C. In addition, the system nano-organization could be finely tailored, resulting in a controllable evolution from wheat-ear columnar arrays to high aspect ratio pointed-tip nanorod assemblies. Concomitantly, magnetic force microscopy analyses suggested the formation of spin domains with features dependent on material morphology. Preliminary tests in Vislight activated photocatalytic degradation of rhodamine B aqueous solutions pave the way to possible applications of the target materials in wastewater purification.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000452344400016 Publication Date 2018-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited Open Access Not_Open_Access
Notes The present work was financially supported by Padova University DOR 2016−2018 and P-DiSC #03BIRD2016- UNIPD projects. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium) and to Dr. Giorgio Carraro (Department of Chemical Sciences, Padova University, Italy) for valuable support and experimental assistance. Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @c:irua:156245 Serial 5147
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Author Tang, Y.; Hunter, E.C.; Battle, P.D.; Hendrickx, M.; Hadermann, J.; Cadogan, J.M.
Title Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9 Type A1 Journal article
Year 2018 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 57 Issue 12 Pages 7438-7445
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A polycrystalline sample of SrLa2FeCoSbO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, magnetometry, Mossbauer spectroscopy, X-ray diffraction, and neutron diffraction. The compound adopts a monoclinic (space group P2(1)/n; a = 5.6218(6), b = 5.6221(6), c = 7.9440(8) angstrom, beta = 90.050(7)degrees at 300 K) perovskite-like crystal structure with two crystallographically distinct six-coordinate sites. One of these sites is occupied by 2/3 Co-2(+),1/3 Fe3+ and the other by 2/3 Sb5+, 1/3 Fe3+. This pattern of cation ordering results in a transition to a ferrimagnetic phase at 215 K. The magnetic moments on nearest-neighbor, six-coordinate cations align in an antiparallel manner, and the presence of diamagnetic Sb5+ on only one of the two sites results in a nonzero remanent magnetization of similar to 1 mu(B) per formula unit at 5 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000436023800073 Publication Date 2018-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 6 Open Access Not_Open_Access
Notes ; PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would like to thank the STFC for the award of beamtime at the ISIS Neutron and Muon Source (RB 1610100), and we thank Dr. I. da Silva for the assistance provided. We also thank Dr. R Paria Sena for help with the HAADF-STEM and STEM-EDX experiments. ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:152485 Serial 5103
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Author Cassidy, S.J.; Orlandi, F.; Manuel, P.; Hadermann, J.; Scrimshire, A.; Bingham, P.A.; Clarke, S.J.
Title Complex Magnetic Ordering in the Oxide Selenide Sr2Fe3Se2O3 Type A1 Journal article
Year 2018 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 57 Issue 16 Pages 10312-10322
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000442489100078 Publication Date 2018-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 2 Open Access OpenAccess
Notes ; S. J. Cassidy prepared the samples and performed the diffraction and magnetometry measurements. F.O., P.M., and S. J. Cassidy measured and interpreted the NPD data. J.H. performed and interpreted the electron diffraction measurements. A.S. and P.A.B. performed and interpreted the Mossbauer spectroscopy measurements. S. J. Cassidy and S. J. Clarke conceived the project and wrote the paper with input from all co-authors. We acknowledge the financial support of the EPSRC (Grants EP/I017844/1, EP/P018874/1, and EP/ M020517/1), and the Leverhulme Trust (RPG-2014-221). We thank the ESTEEM2 network for enabling the electron microscopy investigations, the ISIS facility for the award of beamtime on WISH (RB1610357), and the Diamond Light Source Ltd. for the award of beam time on I11 (allocation EE13284). We thank Dr. C. Murray, Dr. S. Day and Dr. A. Baker for assistance on I11 and Dr. M. Coduri and Dr. A. N. Fitch for assistance on ID22. ; Approved (down) Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:153723 Serial 5085
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Author Cassidy, S.J.; Pitcher, M.J.; Lim, J.J.K.; Hadermann, J.; Allen, J.P.; Watson, G.W.; Britto, S.; Chong, E.J.; Free, D.G.; Grey, C.P.; Clarke, S.J.
Title Layered CeSO and LiCeSO oxide chalcogenides obtained via topotactic oxidative and reductive transformations Type A1 Journal article
Year 2019 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 58 Issue 6 Pages 3838-3850
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The chemical accessibility of the Celv oxidation state enables redox chemistry to be performed on the naturally coinagemetal -deficient phases CeM1-xSO (M = Cu, Ag). A metastable black compound with the PbFC1 structure type (space group P4/nmm: a = 3.8396(1) angstrom, c = 6.607(4) angstrom, V = 97.40(6) angstrom(3)) and a composition approaching CeSO is obtained by deintercalation of Ag from CeAg0.8SO. High-resolution transmission electron microscopy reveals the presence of large defect-free regions in CeSO, but stacking faults are also evident which can be incorporated into a quantitative model to account for the severe peak anisotropy evident in all the highresolution X-ray and neutron diffractograms of bulk CeSO samples; these suggest that a few percent of residual Ag remains. A strawcolored compound with the filled PbFCI (i.e., ZrSiCuAs- or HfCuSi2type) structure (space group P4/nmm: a = 3.98171(1) angstrom, c = 8.70913(5) angstrom, V = 138.075(1) angstrom 3) and a composition close to LiCeSO, but with small amounts of residual Ag, is obtained by direct reductive lithiation of CeAga8S0 or by insertion of Li into CeSO using chemical or electrochemical means. Computation of the band structure of pure, stoichiometric CeSO predicts it to be a Ce' compound with the 4f-states lying approximately 1 eV above the sulfide-dominated valence band maximum. Accordingly, the effective magnetic moment per Ce ion measured in the CeSO samples is much reduced from the value found for the Ce3+-containing LiCeSO, and the residual paramagnetism corresponds to the Ce3+ ions remaining due to the presence of residual Ag, which presumably reflects the difficulty of stabilizing Ce' in the presence of sulfide (S2-). Comparison of the behavior of CeCu0.8SO with that of CeCu0.8SO reveals much slower reaction kinetics associated with the Cu,_xS layers, and this enables intermediate CeCui LixSO phases to be isolated.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461978700036 Publication Date 2019-02-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited Open Access OpenAccess
Notes ; We thank the UK EPSRC (EP/M020517/1 and EP/P018874/1), the Leverhulme Trust (RPG-2014-221), and Science Foundation Ireland (Grant 12/IA/1414) for funding and the EPSRC for additional studentship support. We acknowledge the ISIS pulsed neutron and muon source and the Diamond Light Source Ltd. (EE13284 and EE18786) and the ESRF for the award of beam time. We thank Dr. R I. Smith for assistance on the neutron beamlines, Dr. A. Baker and Dr. C. Murray for support on III, and Dr. C. Curls for support on ID31. ; Approved (down) Most recent IF: 4.857
Call Number UA @ admin @ c:irua:159426 Serial 5253
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Author Tunca, B.; Lapauw, T.; Delville, R.; Neuville, D.R.; Hennet, L.; Thiaudiere, D.; Ouisse, T.; Hadermann, J.; Vleugels, J.; Lambrinou, K.
Title Synthesis and Characterization of Double Solid Solution (Zr,Ti)(2)(Al,Sn)C MAX Phase Ceramics Type A1 Journal article
Year 2019 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 58 Issue 10 Pages 6669-6683
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Quasi phase-pure (>98 wt %) MAX phase solid solution ceramics with the (ZryTi)(2)(Al-0.5,Sn-0.5)C stoichiometry and variable Zr/Ti ratios were synthesized by both reactive hot pressing and pressureless sintering of ZrH2, TiH2, Al, Sn, and C powder mixtures. The influence of the different processing parameters, such as applied pressure and sintering atmosphere, on phase purity and microstructure of the produced ceramics was investigated. The addition of Sn to the (Zr,Ti)(2)AlC system was the key to achieve phase purity. Its effect on the crystal structure of a 211-type MAX phase was assessed by calculating the distortions of the octahedral M6C and trigonal M(6)A prisms due to steric effects. The M(6)A prismatic distortion values were found to be smaller in Sn-containing double solid solutions than in the (Zr,Ti)(2)AlC MAX phases. The coefficients of thermal expansion along the < a > and < c > directions were measured by means of Rietveld refinement of high-temperature synchrotron X-ray diffraction data of (Zr1-x,Ti-x)(2)(Al-0.5,Sn-0.5)C MAX phase solid solutions with x = 0, 0.3, 0.7, and 1. The thermal expansion coefficient data of the Ti-2(Al-0.5,Sn-0.5)C solid solution were compared with those of the Ti2AlC and Ti2SnC ternary compounds. The thermal expansion anisotropy increased in the (Zr,Ti)(2)(Al-0.5,Sn-0.5)C double solid solution MAX phases as compared to the Zr-2(Al-0.5,Sn-0.5)C and Ti-2(Al-0.5,Sn-0.5)C end-members.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000469304700014 Publication Date 2019-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access
Notes ; H. Roussel and D. Pinek are acknowledged for the Ti<INF>2</INF>SnC single-crystal production and high-temperature XRD measurements performed at Grenoble INP-LMGP-CMTC. This research was funded partly by the European Atomic Energy Community's (Euratom) Seventh Framework Programme FP7/2007-2013 under Grant Agreement No. 604862 (FP7MatISSE), and partly by the Euratom research and training programme 2014-2018 under Grant Agreement No. 740415 (H2020 IL TROVATORE). T.L. thanks the Agency for Innovation by Science and Technology (IWT), Flanders, Belgium, for Ph.D. Grant No. 131081. B.T. acknowledges the financial support of the SCK.CEN Academy for Nuclear Science and Technology. All authors gratefully acknowledge Synchrotron SOLEIL for the allocated time at the DIFFABS beamline in association with Project 20161410 entitled “Investigation of (Zr-Ti)-Al-C MAX phases with in-situ high-temperature XRD” and the Hercules Foundation for Project AKUL/1319 (CombiS(T)EM). ; Approved (down) Most recent IF: 4.857
Call Number UA @ admin @ c:irua:160318 Serial 5261
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Author Jin, L.; Batuk, M.; Kirschner, F.K.K.; Lang, F.; Blundell, S.J.; Hadermann, J.; Hayward, M.A.
Title Exsolution of SrO during the Topochemical Conversion of LaSr3CoRuO8to the Oxyhydride LaSr3CoRuO4H4 Type A1 Journal article
Year 2019 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 58 Issue 21 Pages 14863-14870
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Reaction of the n = 1 Ruddlesden-Popper oxide LaSr3CoRuO8 with CaH2 yields the oxyhydride phase LaSr3CoRuO4H4 via topochemical anion-exchange. Close inspection of X-ray and neutron powder diffraction data in combination with HAADF-STEM images reveals that nanoparticles of SrO are exsolved from the system during the reaction, with the change in cation stoichiometry accommodated by the inclusion of n > 1 (Co/Ru)nOn+1H2n ‘perovskite’ layers into the Ruddlesden-Popper stacking sequence. This novel pseudo-topochemical process offers a new route for the formation of n > 1 Ruddlesden-Popper structured materials. Magnetization data are consistent with a LaSr3Co1+Ru2+O4H4 (Co1+, d8, S = 1; Ru2+, d6, S = 0) oxidation/spin state combination. Neutron diffraction and μ+SR data show no evidence for long-range magnetic order down to 2 K, suggesting the diamagnetic Ru2+ centers impede the Co-Co magnetic exchange interactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000494894400062 Publication Date 2019-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 1 Open Access
Notes We thank P. Manuel for assistance collecting the neutron powder diffraction data. We thank The Leverhulme Trust grant award RPG-2014-366 “Topochemical reduction of 4d and 5d transition metal oxides” for supporting this work. Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Investigation by TEM was supported through the FWO grant G035619N. Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @c:irua:164625 Serial 5434
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Author Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M.
Title Charge Localization and Magnetic Correlations in the Refined Structure of U3O7 Type A1 Journal article
Year 2021 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem
Volume 60 Issue 14 Pages 10550-10564
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000675430900049 Publication Date 2021-07-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited Open Access OpenAccess
Notes Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006. Approved (down) Most recent IF: 4.857
Call Number EMAT @ emat @c:irua:179907 Serial 6801
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Author Komulainen, S.; Verlackt, C.; Pursiainen, J.; Lajunen, M.
Title Oxidation and degradation of native wheat starch by acidic bromate in water at room temperature Type A1 Journal article
Year 2013 Publication Carbohydrate Polymers Abbreviated Journal Carbohyd Polym
Volume 93 Issue 1 Pages 73-80
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract Native wheat starch was oxidized by benign acidic bromate in water at room temperature. HPLC-ELSD study indicated that starch degraded in the course of oxidation but it still had a polymeric structure characterized by H-1, C-13, HSQC and HMBC NMR measurements. Products were generally water-soluble fragments but the use of a short reaction time and dilute reaction mixture yielded water-insoluble products. Titration of the products showed, that the increase of the starch content and reaction time increased the content of carbonyl and carboxyl groups in the range of 0.5-2.5% and 1.7-17.2%, respectively, in the product fragments. A mechanism for the oxidation reaction was proposed. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000316512900011 Publication Date 2012-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0144-8617; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.811 Times cited 32 Open Access
Notes Approved (down) Most recent IF: 4.811; 2013 IF: 3.916
Call Number UA @ lucian @ c:irua:108288 Serial 2537
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Author Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
Title An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis Type A1 Journal article
Year 2015 Publication ChemCatChem Abbreviated Journal Chemcatchem
Volume 7 Issue 7 Pages 3047-3058
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000361189400037 Publication Date 2015-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1867-3880; 1867-3899 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.803 Times cited 13 Open Access
Notes Approved (down) Most recent IF: 4.803; 2015 IF: 4.556
Call Number UA @ lucian @ c:irua:127836 Serial 4138
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Author Wang, Y.; Yuan, Y.; Liao, X.; Van Tendeloo, G.; Zhao, Y.; Sun, C.
Title Chip-based in situ TEM investigation of structural thermal instability in aged layered cathode Type A1 Journal article
Year 2023 Publication Nanoscale Advances Abbreviated Journal
Volume 5 Issue 16 Pages 4182-4190
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Thermally induced oxygen release is an intrinsic structural instability in layered cathodes, which causes thermal runaway issues and becomes increasingly critical with the continuous improvement in energy density. Furthermore, thermal runaway events always occur in electrochemically aged cathodes, where the coupling of the thermal and electrochemical effect remains elusive. Herein, we report the anomalous segregation of cobalt metal in an aged LiCoO2 cathode, which is attributed to the local exposure of the high-energy (100) surface of LiCoO2 and weak interface Co-O dangling bonds significantly promoting the diffusion of Co. The presence of the LCO-Co interface severely aggregated the oxygen release in the form of dramatic Co growth. A unique particle-to-particle oxygen release pathway was also found, starting from the isolated high reduction areas induced by the cycling heterogeneity. This study provides atomistic insight into the robust coupling between the intrinsic structural instability and electrochemical cycling.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001030149900001 Publication Date 2023-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2516-0230 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.7 Times cited Open Access OpenAccess
Notes Approved (down) Most recent IF: 4.7; 2023 IF: NA
Call Number UA @ admin @ c:irua:198281 Serial 8841
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Author Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A.
Title Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance Type A1 Journal article
Year 2023 Publication Materials characterization Abbreviated Journal
Volume 200 Issue Pages 112886-11
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000977059100001 Publication Date 2023-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited Open Access OpenAccess
Notes Approved (down) Most recent IF: 4.7; 2023 IF: 2.714
Call Number UA @ admin @ c:irua:195598 Serial 7291
Permanent link to this record
 
 
Author Yang, T.; Kong, Y.; Li, K.; Lu, Q.; Wang, Y.; Du, Y.; Schryvers, D.
Title Quasicrystalline clusters transformed from C14-MgZn₂ nanoprecipitates in Al alloys Type A1 Journal article
Year 2023 Publication Materials characterization Abbreviated Journal
Volume 199 Issue Pages 112772-112777
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Ultrafine faulty C14-MgZn2 Laves phase precipitates containing quasicrystalline clusters and demonstrating the formation of binary quasicrystalline precipitates with Penrose-like random-tiling were observed in the over-aged FCC matrix of a commercial 7N01 Al-Zn-Mg alloy, using high angle annular dark field scanning transmission electron microscopy. The evolution from C14-Laves phase to quasicrystalline clusters is illustrated, and five-fold symmetry can be found in both real and reciprocal spaces. Our findings reveal the possibility of quasicrystalline formation from Laves phase in a highly plastic metal matrix like Al and demonstrate the structural relationship between Laves phase and quasicrystals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000954788800001 Publication Date 2023-03-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited Open Access Not_Open_Access
Notes Approved (down) Most recent IF: 4.7; 2023 IF: 2.714
Call Number UA @ admin @ c:irua:196106 Serial 8446
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Author Reguera, J.; Flora, T.; Winckelmans, N.; Rodriguez-Cabello, J.C.; Bals, S.
Title Self-assembly of Janus Au:Fe₃O₄ branched nanoparticles. From organized clusters to stimuli-responsive nanogel suprastructures Type A1 Journal article
Year 2020 Publication Nanoscale Advances Abbreviated Journal
Volume 2 Issue 6 Pages 2525-2530
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Janus nanoparticles offer enormous possibilities through a binary selective functionalization and dual properties. Their self-assembly has attracted strong interest due to their potential as building blocks to obtain molecular colloids, supracrystals and well-organized nanostructures that can lead to new functionalities. However, this self-assembly has been focused on relatively simple symmetrical morphologies, while for complex nanostructures this process has been unexplored. Here, we study the assembly of plasmonic-magnetic Janus nanoparticles with a branched (nanostar) – sphere morphology. The branched morphology enhances their plasmonic properties in the near-infrared region and therefore their applicability, but at the same time constrains their self-assembly capabilities to obtain more organized or functional suprastructures. We describe the self-assembly of these nanoparticles after amphiphilic functionalization. The role of the nanoparticle branching, as well as the size of the polymer-coating, is explored. We show how the use of large molecular weight stabilizing polymers can overcome the anisotropy of the nanoparticles producing a change in the morphology from small clusters to larger quasi-cylindrical nanostructures. Finally, the Janus nanoparticles are functionalized with a thermo-responsive elastin-like recombinamer. These nanoparticles undergo reversible self-assembly in the presence of free polymer giving rise to nanoparticle-stabilized nanogel-like structures with controlled size, providing the possibility to expand their applicability to multi-stimuli controlled self-assembly.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000543283200032 Publication Date 2020-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2516-0230 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited 10 Open Access OpenAccess
Notes ; J. R. acknowledges the.nancial support of Basque Country Elkartek-KK-2019/ 00101. T. F. and J. C. R-C acknowledge the funding from the European Commission (NMP-2014-646075), the Spanish Government (PCIN-2015-010 (FunBioPlas), MAT2016-78903-R), Junta de Castilla y Leon (VA317P18) and Centro en Red de Medicina Regenerativa y Terapia Celular de Castilla y Leon. ; Approved (down) Most recent IF: 4.7; 2020 IF: NA
Call Number UA @ admin @ c:irua:170773 Serial 6600
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Author Wei, P.; Ke, B.; Xing, L.; Li, C.; Ma, S.; Nie, X.; Zhu, W.; Sang, X.; Zhang, Q.; Van Tendeloo, G.; Zhao, W.
Title Atomic-resolution interfacial structures and diffusion kinetics in Gd/Bi0.5Sb1.5Te3 magnetocaloric/thermoelectric composites Type A1 Journal article
Year 2020 Publication Materials Characterization Abbreviated Journal Mater Charact
Volume 163 Issue Pages 110240-110248
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The demand of a full solid-state cooling technology based on magnetocaloric and thermoelectric effects has led to a growing interest in screening candidate materials with high-efficiency cooling performance, which also stimulates the exploration of magnetocaloric/thermoelectric hybrid cooling materials. A series of Gd/Bi0.5Sb1.5Te3 composites was fabricated in order to develop the hybrid cooling technology. The chemical composition, phase structure and diffusion kinetics across the reaction layers in Gd/Bi0.5Sb1.5Te3 composites were analyzed at different reaction temperatures. Micro-area elemental analysis indicates that the formation of interfacial phases is dominated by the diffusion of Gd and Te while the diffusion of Bi and Sb is impeded. The interfacial phases, including GdTe2, GdTe3, and intermediate phases GdTex, are identified by atomic-resolution electron microscopy. The concentration modulation of Gd and Te is adapted by altering the stacking of the Te square-net sheets and the corrugated GdTe sheets. Boltzmann-Marano analysis was applied to reveal the diffusion kinetics of Gd and Te in the interfacial layers. The diffusion coefficients of Te in GdTe2 and GdTe3 are much higher than that of Gd while in GdTe the situation is reversed. This study provides a clear picture to understand the interfacial phase structures down to an atomic scale as well as the interfacial diffusion kinetics in Gd/Bi0.5Sb1.5Te3 hybrid cooling materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000551341700045 Publication Date 2020-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited 1 Open Access Not_Open_Access
Notes ; This work was supported by National Natural Science Foundation of China (Nos. 91963122, 11834012, 51620105014, 51521001, 51902237), National Key Research and Development Program of China (No. 2018YFB0703603), the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 183101006). XRD and EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. ; Approved (down) Most recent IF: 4.7; 2020 IF: 2.714
Call Number UA @ admin @ c:irua:171317 Serial 6456
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Author Cao, S.; Zeng, C.Y.; Li, Y.Y.; Yao, X.; Ma, X.; Samaee, V.; Schryvers, D.; Zhang, X.P.
Title Quantitative FIB/SEM three-dimensional characterization of a unique Ni₄Ti₃ network in a porous Ni50.8Ti49.2 alloy undergoing a two-step martensitic transformation Type A1 Journal article
Year 2020 Publication Materials Characterization Abbreviated Journal Mater Charact
Volume 169 Issue Pages 110595
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The three-dimensional (3D) nanostructure of Ni4Ti3 precipitates in a porous Ni50.8Ti49.2 alloy has been re-constructed by “Slice-and-View” in a Focused Ion Beam/Scanning Electron Microscope (FIB/SEM). The 3D configuration of these precipitates forming a network structure in the B2 austenite matrix has been characterized via 3D visualization and quantitative analysis including volume fraction, skeleton, degree of anisotropy and local thickness. It is found that dense Ni4Ti3 precipitates occupy 54% of the volume in the B2 austenite matrix. Parallel Ni4Ti3 precipitates grow alongside the surface of a micro-pore, yielding an asymmetric structure, while nano voids do not seem to affect the growth of Ni4Ti3 precipitates. The small average local thickness of the precipitates around 60 nm allows their coherency with the matrix, and further induces the R-phase transformation in the matrix. On the other hand, the B2 matrix exhibits a winding and narrow structure with a skeleton of 18.20 mm and a thickness similar to the precipitates. This discontinuous matrix segmented by the Ni4Ti3 network and pores is responsible for the gradual transformation by stalling the martensite propagation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000584353100001 Publication Date 2020-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited Open Access OpenAccess
Notes ; This work was supported by the National Natural Science Foundation of China under Grant Nos. 51401081 and 51571092, the Natural Science Foundation of Guangdong Province through Key Project under Grant No. 2018B0303110012 and General Project under Grant No. 2017A030313323, and China Scholarship Council (CSC). ; Approved (down) Most recent IF: 4.7; 2020 IF: 2.714
Call Number UA @ admin @ c:irua:173547 Serial 6590
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Author Ding, L.; Raskin, J.-P.; Lumbeeck, G.; Schryvers, D.; Idrissi, H.
Title TEM investigation of the role of the polycrystalline-silicon film/substrate interface in high quality radio frequency silicon substrates Type A1 Journal article
Year 2020 Publication Materials Characterization Abbreviated Journal Mater Charact
Volume 161 Issue Pages 110174-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The microstructural characteristics of two polycrystalline silicon (poly-Si) films with different electrical properties produced by low-pressure chemical vapour deposition on top of high resistivity silicon substrates were investigated by advanced transmission electron microscopy (TEM), including high resolution aberration corrected TEM and automated crystallographic orientation mapping in TEM. The results reveal that the nature of the poly-Si film/Si substrate interface is the main factor controlling the electrical resistivity of the poly-Si films. The high resistivity and high electrical linearity of poly-Si films are strongly promoted by the Sigma 3 twin type character of the poly-Si/Si substrate interface, leading to the generation of a huge amount of extended defects including stacking faults, Sigma 3 twin boundaries as well as Sigma 9 grain boundaries at this interface. Furthermore, a high density of interfacial dislocations has been observed at numerous common and more exotic grain boundaries deviating from their standard crystallographic planes. In contrast, poly-Si film/Si substrate interfaces with random character do not favour the formation of such complex patterns of defects, leading to poor electrical resistivity of the poly-Si film. This finding opens windows for the development of high resistivity silicon substrates for Radio Frequency (RF) integrated circuits (ICs) applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000521515800027 Publication Date 2020-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited Open Access Not_Open_Access
Notes ; H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). ; Approved (down) Most recent IF: 4.7; 2020 IF: 2.714
Call Number UA @ admin @ c:irua:168664 Serial 6621
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