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Author Chin, C.–M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J.
  Title Magnetic properties of La3Ni2Sb Ta Nb1––O9; from relaxor to spin glass Type A1 Journal article
  Year 2019 Publication Journal of solid state chemistry (Print) Abbreviated Journal (down) Journal of Solid State Chemistry
  Volume 273 Issue Pages 175-185
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Neutron diffraction experiments conducted at 5 K in a magnetic field 0 < H/kOe < 50 have shown that the monoclinic perovskite La3Ni2TaO9 behaves as a relaxor ferromagnet. Compositions in the series La3Ni2SbxTayNb1–x–yO9 have been synthesized in polycrystalline form. Electron microscopy, X–ray diffraction and neutron diffraction have shown that the solid solutions are largely homogeneous and monophasic. Magnetometry and neutron diffraction have shown that the relaxor magnetisation persists in low fields when x + y = 1 but is rapidly diminished by the introduction of niobium. This change in magnetic behaviour is ascribed to the differences in the d–orbital energies of Sb5+, Nb5+ and Ta5+.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000466261100026 Publication Date 2019-03-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. Approved no
  Call Number EMAT @ emat @c:irua:166445 Serial 6346
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Author Loenders, B.; Michiels, R.; Bogaerts, A.
  Title Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions Type A1 Journal Article
  Year 2023 Publication Journal of Energy Chemistry Abbreviated Journal (down) Journal of Energy Chemistry
  Volume 85 Issue Pages 501-533
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions.
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  Corporate Author Thesis
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  Language Wos Publication Date 2023-06-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-4956 ISBN Additional Links UA library record
  Impact Factor 13.1 Times cited Open Access Not_Open_Access
  Notes This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. Approved Most recent IF: 13.1; 2023 IF: 2.594
  Call Number PLASMANT @ plasmant @c:irua:198159 Serial 8806
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Author Wanten, B.; Vertongen, R.; De Meyer, R.; Bogaerts, A.
  Title Plasma-based CO2 conversion: How to correctly analyze the performance? Type A1 journal article
  Year 2023 Publication Journal of Energy Chemistry Abbreviated Journal (down) Journal of Energy Chemistry
  Volume 86 Issue Pages 180-196
  Keywords A1 journal article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001070885000001 Publication Date 2023-07-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.1 Times cited Open Access Not_Open_Access
  Notes We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant ID 110221N), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant agreement No 810182 – SCOPE ERC Synergy project), and the Methusalem funding of the University of Antwerp. We acknowledge the icons from the graphical abstract made by dDara, geotatah, Spashicons and Freepik on www.flaticon.com. We also thank Stein Maerivoet, Joachim Slaets, Elizabeth Mercer, Colín Ó’Modráin, Joran Van Turnhout, Pepijn Heirman, dr. Yury Gorbanev, dr. Fanny Girard-Sahun and dr. Sean Kelly for the interesting discussions and feedback. Approved Most recent IF: 13.1; 2023 IF: 2.594
  Call Number PLASMANT @ plasmant @c:irua:198709 Serial 8816
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Author Cai, Y.; Mei, D.; Chen, Y.; Bogaerts, A.; Tu, X.
  Title Machine learning-driven optimization of plasma-catalytic dry reforming of methane Type A1 Journal Article
  Year 2024 Publication Journal of Energy Chemistry Abbreviated Journal (down) Journal of Energy Chemistry
  Volume 96 Issue Pages 153-163
  Keywords A1 Journal Article; Plasma catalysis Machine learning Process optimization Dry reforming of methane Syngas production; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract This study investigates the dry reformation of methane (DRM) over Ni/Al2O3 catalysts in a dielectric barrier discharge (DBD) non-thermal plasma reactor. A novel hybrid machine learning (ML) model is developed to optimize the plasma-catalytic DRM reaction with limited experimental data. To address the non-linear and complex nature of the plasma-catalytic DRM process, the hybrid ML model integrates three well-established algorithms: regression trees, support vector regression, and artificial neural networks. A genetic algorithm (GA) is then used to optimize the hyperparameters of each algorithm within the hybrid ML model. The ML model achieved excellent agreement with the experimental data, demonstrating its efficacy in accurately predicting and optimizing the DRM process. The model was subsequently used to investigate the impact of various operating parameters on the plasma-catalytic DRM performance. We found that the optimal discharge power (20 W), CO2/CH4 molar ratio (1.5), and Ni loading (7.8 wt%) resulted in the maximum energy yield at a total flow rate of 51 mL/min. Furthermore, we investigated the relative significance of each operating parameter on the performance of the plasmacatalytic DRM process. The results show that the total flow rate had the greatest influence on the conversion, with a significance exceeding 35% for each output, while the Ni loading had the least impact on the overall reaction performance. This hybrid model demonstrates a remarkable ability to extract valuable insights from limited datasets, enabling the development and optimization of more efficient and selective plasma-catalytic chemical processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2024-04-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-4956 ISBN Additional Links
  Impact Factor 13.1 Times cited Open Access
  Notes This project received funding from the European Union’s Hori- zon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 813393. Approved Most recent IF: 13.1; 2024 IF: 2.594
  Call Number PLASMANT @ plasmant @ Serial 9124
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Author Gerrits, N.; Jackson, B.; Bogaerts, A.
  Title Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces Type A1 Journal Article
  Year 2024 Publication The Journal of Physical Chemistry Letters Abbreviated Journal (down) J. Phys. Chem. Lett.
  Volume 15 Issue 9 Pages 2566-2572
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract Molecular dynamics simulations are essential for a better understanding of dissociative chemisorption on metal surfaces, which is often the rate-controlling step in heterogeneous and plasma catalysis. The workhorse quasi-classical trajectory approach ubiquitous in molecular dynamics is able to accurately predict reactivity only for high translational and low vibrational energies. In contrast, catalytically relevant conditions generally involve low translational and elevated vibrational energies. Existing quantum dynamics approaches are intractable or approximate as a result of the large number of degrees of freedom present in molecule−metal surface reactions. Here, we extend a ring polymer molecular dynamics approach to fully include, for the first time, the degrees of freedom of a moving metal surface. With this approach, experimental sticking probabilities for the dissociative chemisorption of methane on Pt(111) are reproduced for a large range of translational and vibrational energies by including nuclear quantum effects and employing full-dimensional simulations.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001177959900001 Publication Date 2024-03-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record
  Impact Factor 5.7 Times cited Open Access
  Notes Nick Gerrits has been financially supported through a Dutch Research Council (NWO) Rubicon grant (019.202EN.012). The computational resources and services used in this work were provided by the high performance computing (HPC) core facility CalcUA of the Universiteit Antwerpen and the Flemish Supercomputer Center (VSC) funded by the Research Foundation−Flanders (FWO) and the Flemish Government. The authors thank Mark Somers for useful discussions. Approved Most recent IF: 5.7; 2024 IF: 9.353
  Call Number PLASMANT @ plasmant @c:irua:204818 Serial 9114
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Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V.
  Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal (down) J. Phys. Chem. C
  Volume 127 Issue 48 Pages 23400-23411
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001116862000001 Publication Date 2023-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number EMAT @ emat @c:irua:202124 Serial 8985
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Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S.
  Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal (down) J. Phys. Chem. C
  Volume 127 Issue 47 Pages 23023-23033
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001111637100001 Publication Date 2023-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number EMAT @ emat @c:irua:201671 Serial 8974
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Author Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N.
  Title Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation Type A1 Journal Article
  Year 2024 Publication The Journal of Physical Chemistry C Abbreviated Journal (down) J. Phys. Chem. C
  Volume 128 Issue 21 Pages 8611-8620
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA)

density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface

reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption

and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2024-05-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links
  Impact Factor 3.7 Times cited Open Access
  Notes H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; Approved Most recent IF: 3.7; 2024 IF: 4.536
  Call Number PLASMANT @ plasmant @ Serial 9248
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Author Elia, A.; De Wael, K.; Dowsett, M.; Adriaens, A.
  Title Electrochemical deposition of a copper carboxylate layer on copper as potential corrosion inhibitor Type A1 Journal article
  Year 2011 Publication Journal of solid state electrochemistry Abbreviated Journal (down) J Solid State Electr
  Volume 16 Issue 1 Pages 143-148
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Carboxylic acids and sodium carboxylates are used to protect metals against aqueous and atmospheric corrosion. In this paper, we describe the application of a layer of copper carboxylate on the surface of a copper electrode by means of cyclic voltammetry technique and tests which measure the corresponding resistance to aqueous corrosion. Unlike the soaking process, which also forms a film on the surface, the use of cyclic voltammetry allows one to follow the deposition process of the copper carboxylates onto the electrode. The modified electrodes have been characterised with infrared spectroscopy. In addition, the corrosion resistance of the film has been investigated using polarisation resistance and Tafel plot measurements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000298651700018 Publication Date 2011-01-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-8488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.316 Times cited 8 Open Access
  Notes ; Authors would like to acknowledge the Research Foundation-Flanders (FWO) for funding assistance (A. Elia is a FWO aspirant) and V. Vermeersch and S. Van Vlierberghe (Ghent University, Polymer Chemistry and Biomaterials Research Group) for the FTIR-ATR measurements. ; Approved Most recent IF: 2.316; 2011 IF: 2.131
  Call Number UA @ admin @ c:irua:89618 Serial 5588
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Author De Keersmaecker, M.; De Wael, K.; Adriaens, A.
  Title Influence of the deposition method, temperature and deposition time on the corrosion inhibition of lead dodecanoate coatings deposited on lead surfaces Type A1 Journal article
  Year 2013 Publication Journal of solid state electrochemistry Abbreviated Journal (down) J Solid State Electr
  Volume 17 Issue 5 Pages 1259-1269
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Electrochemical impedance measurements have been used to investigate the influence of the deposition method, including time and temperature, upon the corrosion inhibition characteristics of lead dodecanoate coatings on lead electrodes. The results were analysed using multivariate statistics and show that, in general, these easily prepared coatings are very protective against corrosion. The temperature proves to be an important parameter for the quality and the corrosion inhibition efficiency of the coating. A comparison between two different electrochemically assisted deposition methods, immersion using a reduction pretreatment and cyclic voltammetry, does not show significant differences. Using the immersion technique at room temperature, the deposition time was tested as the third influencing parameter for the corrosion inhibition efficiency of the deposited lead dodecanoate coatings. A longer deposition time of the lead into the sodium dodecanoate solution provides a layer with a somewhat higher corrosion resistance.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000320374300001 Publication Date 2013-01-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-8488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.316 Times cited 4 Open Access
  Notes ; The Research Foundation-Flanders (FWO)- and Ghent University are acknowledged for the funding of this work. The authors would also like to thank Pieter van Hoe for the construction of the lead electrodes. ; Approved Most recent IF: 2.316; 2013 IF: 2.234
  Call Number UA @ admin @ c:irua:105278 Serial 5663
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Author He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G.
  Title 90° Rotation of orbital stripes in bilayer manganite PrCa2Mn2O7 studied by in situ transmission electron microscopy Type A1 Journal article
  Year 2013 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 200 Issue Pages 287-293
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000317158000043 Publication Date 2013-02-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 5 Open Access
  Notes Countatoms Approved Most recent IF: 2.299; 2013 IF: 2.200
  Call Number UA @ lucian @ c:irua:106183 Serial 20
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Author Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Shpanchenko, R.V.; Oleinikov, P.N.; Antipov, E.V.
  Title Anion ordering in fluorinated La2CuO4 Type A1 Journal article
  Year 1999 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 142 Issue Pages 311-322
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000078597400024 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 20 Open Access
  Notes Approved Most recent IF: 2.299; 1999 IF: 1.547
  Call Number UA @ lucian @ c:irua:29277 Serial 121
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Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Greenblatt, M.
  Title B-site ordered perovskite LaSrMnNbO6 : synthesis, structure and antiferromagnetism Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 183 Issue 11 Pages 2689-2694
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract LaSrMnNbO6 has been synthesized by high temperature solid state reaction under 1% H2/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn2+ and Nb5+ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazers tilt system a−b−c+. Upon heating, LaSrMnNbO6 decomposes at 690 °C under O2 flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at TN=8 K; the experimentally observed effective paramagnetic moment, μeff=5.76 μB for high spin Mn2+ (3d5, S=5/2) is in good agreement with the calculated value (μcalcd=5.92 μB).
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000284179800028 Publication Date 2010-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 13 Open Access
  Notes Esteem 026019 Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:85805 Serial 212
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Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B.
  Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type A1 Journal article
  Year 1997 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 132 Issue Pages 113-122
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1997XY68900015 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 2 Open Access
  Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
  Call Number UA @ lucian @ c:irua:21448 Serial 299
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Author Abakumov, A.M.; d' Hondt, H.; Rossell, M.D.; Tsirlin, A.A.; Gutnikova, O.; Filimonov, D.S.; Schnelle, W.; Rosner, H.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V.
  Title Coupled anion and cation ordering in Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficientperovskites Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 183 Issue 12 Pages 2845-2854
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000285431100014 Publication Date 2010-10-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:88071 Serial 533
Permanent link to this record
 

 
Author Tarakina, N.V.; Nikulina, E.A.; Hadermann, J.; Kellerman, D.G.; Tyutunnik, A.P.; Berger, I.F.; Zubkov, V.G.; Van Tendeloo, G.
  Title Crystal structure and magnetic properties of complex oxides Mg4-xNixO9, 0\leq x\leq4 Type A1 Journal article
  Year 2007 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 180 Issue 11 Pages 3180-3187
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In the Mg4−xNixNb2O9 (0x4) system two ranges of solid solution have been found. One of the solid solutions has a corundum-related structure type (space group ); the second one adopts the II-Ni4Nb2O9 structure type (space group Pbcn). The unit cell constants and atomic positions have been determined and refined using neutron powder diffraction data. Electron diffraction and high-resolution transmission electron microscopy (HRTEM) from MgNi3Nb2O9 crystals identify the presence of planar defects and the intergrowth of several (structurally related) phases. The magnetic susceptibility of Mg3NiNb2O9, measured in the temperature range T=2300 K, shows no indications of magnetic ordering at low temperatures, while for MgNi3Nb2O9 there is a magnetic ordering at temperatures below 45.5 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000260636200025 Publication Date 2007-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 3 Open Access
  Notes Belgium Science Policy Approved Most recent IF: 2.299; 2007 IF: 2.149
  Call Number UA @ lucian @ c:irua:72944 Serial 559
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Author Chernaya, V.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Gippius, A.A.; Morozova, E.N.; Dyakov, V.; Hadermann, J.; Kaul, E.E.; Geibel, C.
  Title Crystal structure and properties of the new vanadyl(IV)phosphates Na2MVO(PO4)2 M=Ca and Sr Type A1 Journal article
  Year 2004 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 177 Issue Pages 2875-2880
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000223145500033 Publication Date 2004-08-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 6 Open Access
  Notes Approved Most recent IF: 2.299; 2004 IF: 1.815
  Call Number UA @ lucian @ c:irua:47317 Serial 565
Permanent link to this record
 

 
Author Abakumov, A.M.; Van Tendeloo, G.; Scheglov, A.A.; Shpanchenko, R.V.; Antipov, E.V.
  Title The crystal structure of Ba8Ta6NiO24: cation ordering in hexagonal perovskites Type A1 Journal article
  Year 1996 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 125 Issue Pages 102-107
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1996VB31300015 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.133 Times cited 38 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:16868 Serial 569
Permanent link to this record
 

 
Author Abakumov, A.M.; Shpanchenko, R.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
  Title The crystal structure of Ca3ReO6 Type A1 Journal article
  Year 1997 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 131 Issue Pages 305-309
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1997XQ33000014 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 10 Open Access
  Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
  Call Number UA @ lucian @ c:irua:21442 Serial 571
Permanent link to this record
 

 
Author Sullivan, E.; Hadermann, J.; Greaves, C.
  Title Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 Type A1 Journal article
  Year 2011 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 184 Issue 3 Pages 649-654
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0].
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000288587800026 Publication Date 2011-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 19 Open Access
  Notes Approved Most recent IF: 2.299; 2011 IF: 2.159
  Call Number UA @ lucian @ c:irua:89650 Serial 584
Permanent link to this record
 

 
Author Nistor, L.C.; Van Tendeloo, G.; Amelinckx, S.
  Title Defects and phase transformation in monclinic natural hollandite: BaxMn8O16 Type A1 Journal article
  Year 1994 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 109 Issue Pages 152-165
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1994MY48800024 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.133 Times cited 13 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10023 Serial 626
Permanent link to this record
 

 
Author Nistor, L.C.; Van Tendeloo, G.; Amelinckx, S.
  Title Defects and phase transition in monoclinic natural hollandite : BaxMn8O16 Type A1 Journal article
  Year 1994 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 109 Issue 1 Pages 152-165
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1994MY48800024 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.133 Times cited 13 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:99918 Serial 627
Permanent link to this record
 

 
Author Norén, L.; Ting, V.; Withers, R.L.; Van Tendeloo, G.
  Title An electron and X-ray diffraction investigation of Ni1+xTe2 and Ni1+xSe2CdI2/NiAs type solid solution phases Type A1 Journal article
  Year 2001 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 161 Issue 2 Pages 266-273
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000172466400012 Publication Date 2002-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 14 Open Access
  Notes Approved Most recent IF: 2.299; 2001 IF: 1.614
  Call Number UA @ lucian @ c:irua:54712 Serial 908
Permanent link to this record
 

 
Author Volkov, V.V.; van Landuyt, J.; Amelinckx, S.; Pervov, V.S.; Makhonina, E.V.
  Title Electron microscopic and X-ray structural analysis of the layered crystals TaReSe4: structure, defect structure, and microstructure, including rotation twins Type A1 Journal article
  Year 1998 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 135 Issue Pages 235-255
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000072900200008 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 3 Open Access
  Notes Approved Most recent IF: 2.299; 1998 IF: 1.432
  Call Number UA @ lucian @ c:irua:29672 Serial 938
Permanent link to this record
 

 
Author Huvé, M.; Renard, C.; Abraham, F.; Van Tendeloo, G.; Amelinckx, S.
  Title Electron microscopy of a family of hexagonal perovskites: one-dimensional structures related to Sr4Ni3O9 Type A1 Journal article
  Year 1998 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 135 Issue Pages 1-16
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000072523100001 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 30 Open Access
  Notes Approved Most recent IF: 2.299; 1998 IF: 1.432
  Call Number UA @ lucian @ c:irua:25656 Serial 958
Permanent link to this record
 

 
Author Ranjan, R.; Pandey, D.; Schuddinck, W.; Richard, O.; De Meulenaere, P.; van Landuyt, J.; Van Tendeloo, G.
  Title Evolution of crystallographic phases in (Sr1-xCax)TiO3 with composition (x) Type A1 Journal article
  Year 2001 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 162 Issue 1 Pages 20-28
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000172586400003 Publication Date 2002-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 45 Open Access
  Notes Approved Most recent IF: 2.299; 2001 IF: 1.614
  Call Number UA @ lucian @ c:irua:54711 Serial 1098
Permanent link to this record
 

 
Author Maignan, A.; Martin, C.; Singh, K.; Simon, C.; Lebedev, O.I.; Turner, S.
  Title From spin induced ferroelectricity to dipolar glasses : spinel chromites and mixed delafossites Type A1 Journal article
  Year 2012 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 195 Issue Pages 41-49
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Magnetoelectric multiferroics showing coupling between polarization and magnetic order are attracting much attention. For instance, they could be used in memory devices. Metal-transition oxides are provided several examples of inorganic magnetoelectric multiferroics. In the present short review, spinel and delafossite chromites are described. For the former, an electric polarization is evidenced in the ferrimagnetic state for ACr2O4 polycrystalline samples (A=Ni, Fe, Co). The presence of a JahnTeller cation such as Ni2+ at the A site is shown to yield larger polarization values. In the delafossites, substitution by V3+ at the Cr or Fe site in CuCrO2 (CuFeO2) suppresses the complex antiferromagnetic structure at the benefit of a spin glass state. The presence of cation disorder, probed by transmission electron microscopy, favors relaxor-like ferroelectricity. The results on the ferroelectricity of ferrimagnets and insulating spin glasses demonstrate that, in this research field, transition-metal oxides are worth to be studied.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000309783600006 Publication Date 2012-02-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 27 Open Access
  Notes Fwo Approved Most recent IF: 2.299; 2012 IF: 2.040
  Call Number UA @ lucian @ c:irua:101219 Serial 1286
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Author Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Herber, R.H.; Nowik, I.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Greenblatt, M.;
  Title High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0) Type A1 Journal article
  Year 2012 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 194 Issue Pages 48-58
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A series of perovskites Sr4−xLaxFe3ReO12 (x=0.0, 1.0, 2.0) has been prepared by wet chemistry methods. The structure analyses by powder X-ray and neutron diffraction and electron microscopy show that these compounds adopt simple perovskite structures without cation ordering over the B sites: tetragonal (I4/mcm) for x=0.0 and 1.0 and orthorhombic (Pbmn) for x=2.0. The oxidation states of the cations in the compound with x=0.0 appear to be Fe3+/4+ and Re7+ and decrease for both with La substitution as evidenced by X-ray absorption spectroscopy. All the compounds are antiferromagnetically ordered above room temperature, as demonstrated by Mössbauer spectroscopy and the magnetic structures, which were determined by powder neutron diffraction. The substitution of Sr by La strongly affects the magnetic properties with an increase of TN up to ∼750 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000308896400009 Publication Date 2012-07-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 9 Open Access
  Notes Approved Most recent IF: 2.299; 2012 IF: 2.040
  Call Number UA @ lucian @ c:irua:101220 Serial 1435
Permanent link to this record
 

 
Author Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V.; Kovba, L.M.
  Title High resolution electron microscopic study of Ba7Sc6Al2O19 and related phases Type A1 Journal article
  Year 1994 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 113 Issue Pages 193-203
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1994PP02200027 Publication Date 2002-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.133 Times cited 3 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10036 Serial 1443
Permanent link to this record
 

 
Author Morozov, V.A.; Belik, A.A.; Stefanovich, S.Y.; Grebenev, V.V.; Lebedev, O.I.; Van Tendeloo, G.; Lazoryak, B.I.
  Title High-temperature phase transition in the whitlockite-type phosphate Ca9In(PO4)7 Type A1 Journal article
  Year 2002 Publication Journal of solid state chemistry Abbreviated Journal (down) J Solid State Chem
  Volume 165 Issue 2 Pages 278-288
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The double phosphate Ca9In(PO4)(7) was obtained by solid-state reaction and was studied by room and high-temperature Xray powder diffraction, electron diffraction, high-resolution electron microscopy, second-harmonic generation (SHG) technique, differential scanning calorimetry, dielectric and conductivity measurements. The beta-Ca9In(PO4)(7) room-temperature phase is related to the mineral whitlockite and is similar to beta-Ca-3(PO4)(2). It has space group R (3) over barc, with unit cell parameters: a = 10.4008(1) Angstrom, c = 37.272(1) Angstrom, Z = 6. The structure was refined by the Rietveld method (R-wp = 4.69, R-I = 1.81). A reversible first-order beta <----> beta' phase transition of the ferroelectric type with T-c = 902 K is revealed by SHG, differential scanning calorimetry and dielectric measurements. The centrosymmetric beta'-Ca9In(PO4)(7) (973 K) has space group R (3) over barc, a = 10.4611(2) Angstrom, c = 37.874 (1) Angstrom (R-wp = 4.27, R-I = 4.11). Compared to the low-temperature beta-Ca9In(PO4)(7) structure, beta'-Ca9In(PO4)(7) can be described as an orientational disordering of the P1O(4) tetrahedra together with a calcium disordering on the M3 site. (C) 2002 Elsevier Science (USA).
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000175916000010 Publication Date 2002-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 57 Open Access
  Notes Approved Most recent IF: 2.299; 2002 IF: 1.671
  Call Number UA @ lucian @ c:irua:94926 Serial 1467
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