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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. |
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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 |
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Year |
2017 |
Publication  |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
5 |
Pages |
2566-2575 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Place of Publication |
Easton, Pa |
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Wos |
000395847300026 |
Publication Date |
2017-02-15 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
4 |
Pages |
2013-2021 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Place of Publication |
Easton, Pa |
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Wos |
000394736600027 |
Publication Date |
2017-01-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
13 |
Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Molybdenum oxide nitrides of the Mo2(O,N,\square)5 type : on the way to Mo2O5 |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
15 |
Pages |
8782-8792 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Place of Publication |
Easton, Pa |
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Wos |
000407405500026 |
Publication Date |
2017-07-17 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Insights into the Plasma-Assisted Fabrication and Nanoscopic Investigation of Tailored MnO2Nanomaterials |
Type |
A1 Journal Article |
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Year |
2018 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
57 |
Issue |
23 |
Pages |
14564-14573 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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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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Wos |
000452344400016 |
Publication Date |
2018-12-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
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Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
57 |
Issue |
12 |
Pages |
7438-7445 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000436023800073 |
Publication Date |
2018-05-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Complex Magnetic Ordering in the Oxide Selenide Sr2Fe3Se2O3 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
57 |
Issue |
16 |
Pages |
10312-10322 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000442489100078 |
Publication Date |
2018-07-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
2 |
Open Access |
OpenAccess |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Layered CeSO and LiCeSO oxide chalcogenides obtained via topotactic oxidative and reductive transformations |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
58 |
Issue |
6 |
Pages |
3838-3850 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Wos |
000461978700036 |
Publication Date |
2019-02-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
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Open Access |
OpenAccess |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Synthesis and Characterization of Double Solid Solution (Zr,Ti)(2)(Al,Sn)C MAX Phase Ceramics |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
58 |
Issue |
10 |
Pages |
6669-6683 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Wos |
000469304700014 |
Publication Date |
2019-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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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 |
Most recent IF: 4.857 |
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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. |
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Title |
Exsolution of SrO during the Topochemical Conversion of LaSr3CoRuO8to the Oxyhydride LaSr3CoRuO4H4 |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
58 |
Issue |
21 |
Pages |
14863-14870 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000494894400062 |
Publication Date |
2019-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
1 |
Open Access |
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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 |
Most recent IF: 4.857 |
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| |
Call Number |
EMAT @ emat @c:irua:164625 |
Serial |
5434 |
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| Permanent link to this record |
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Author |
Xu, X.; Jones, M.A.; Cassidy, S.J.; Manuel, P.; Orlandi, F.; Batuk, M.; Hadermann, J.; Clarke, S.J. |
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Title |
Magnetic Ordering in the Layered Cr(II) Oxide Arsenides Sr2CrO2Cr2As2and Ba2CrO2Cr2As2 |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
|
| |
Volume |
59 |
Issue |
21 |
Pages |
15898-15912 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Sr2CrO2Cr2As2 and Ba2CrO2Cr2As2 with Cr2+ ions in CrO2 sheets and in CrAs layers crystallize with the Sr2Mn3Sb2O2 structure (space group I4/mmm, Z = 2) and lattice parameters a = 4.00800(2) Å, c = 18.8214(1) Å (Sr2CrO2Cr2As2) and a = 4.05506(2) Å, c = 20.5637(1) Å (Ba2CrO2Cr2As2) at room temperature. Powder neutron diffraction reveals checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the arsenide layers below TN1Sr, of 600(10) K (Sr2CrO2Cr2As2) and TN1Ba 465(5) K (Ba2CrO2Cr2As2) with the moments initially directed perpendicular to the layers in both compounds. Checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the oxide layer below 230(5) K for Ba2CrO2Cr2As2 occurs with these moments also perpendicular to the layers, consistent with the orientation preferences of d4 moments in the two layers. In contrast, below 330(5) K in Sr2CrO2Cr2As2, the oxide layer Cr2+ moments are initially oriented in the CrO2 plane; but on further cooling, these moments rotate to become perpendicular to the CrO2 planes, while the moments in the arsenide layers rotate by 90° with the moments on the two sublattices remaining orthogonal throughout [behavior recently reported independently by Liu et al. [Liu et al. Phys. Rev. B 2018, 98, 134416]]. In Sr2CrO2Cr2As2, electron diffraction and high resolution powder X-ray diffraction data show no evidence for a structural distortion that would allow the two Cr2+ sublattices to couple, but high resolution neutron powder diffraction data suggest a small incommensurability between the magnetic structure and the crystal structure, which may account for the coupling of the two sublattices and the observed spin reorientation. The saturation values of the Cr2+ moments in the CrO2 layers (3.34(1) μB (for Sr2CrO2Cr2As2) and 3.30(1) μB (for Ba2CrO2Cr2As2)) are larger than those in the CrAs layers (2.68(1) μB for Sr2CrO2Cr2As2 and 2.298(8) μB for Ba2CrO2Cr2As2) reflecting greater covalency in the arsenide layers. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000588738100035 |
Publication Date |
2020-11-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.6 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
We thank the UK EPSRC (EP/M020517/1 and EP/P018874/ 1) and the Leverhulme Trust (RPG-2014-221) for funding and the ISIS pulsed neutron and muon source (RB1610357 and RB1700075) and the Diamond Light Source Ltd. (EE13284 and EE18786) for the award of beam time. We thank Dr. A. Baker and Dr. C. Murray for support on I11. |
Approved |
Most recent IF: 4.6; 2020 IF: 4.857 |
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| |
Call Number |
EMAT @ emat @c:irua:176058 |
Serial |
6704 |
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| Permanent link to this record |
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Author |
Skaggs, C.M.; Kang, C.-J.; Perez, C.J.; Hadermann, J.; Emge, T.J.; Frank, C.E.; Pak, C.; Lapidus, S.H.; Walker, D.; Kotliar, G.; Kauzlarich, S.M.; Tan, X.; Greenblatt, M. |
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Title |
Ambient and high pressure CuNiSb₂ : metal-ordered and metal-disordered NiAs-type derivative pnictides |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
59 |
Issue |
19 |
Pages |
14058-14069 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000580381700028 |
Publication Date |
2020-09-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 4.6; 2020 IF: 4.857 |
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| |
Call Number |
UA @ admin @ c:irua:174331 |
Serial |
6714 |
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| Permanent link to this record |
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Author |
Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M. |
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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 |
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| |
Volume |
60 |
Issue |
14 |
Pages |
10550-10564 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000675430900049 |
Publication Date |
2021-07-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
|
Open Access |
OpenAccess |
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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 |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @c:irua:179907 |
Serial |
6801 |
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| Permanent link to this record |
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Author |
Savina, A.A.; Saiutina, V.V.; Morozov, A.V.; Boev, A.O.; Aksyonov, D.A.; Dejoie, C.; Batuk, M.; Bals, S.; Hadermann, J.; Abakumov, A.M. |
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Title |
Chemistry, local molybdenum clustering, and electrochemistry in the Li2+xMo1-xO3 solid solutions |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
61 |
Issue |
14 |
Pages |
5637-5652 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A broad range of cationic nonstoichiometry has been demonstratedfor the Li-rich layered rock-salt-type oxide Li2MoO3, which has generally been considered as a phase with a well-defined chemical composition. Li2+xMo1-xO3(-0.037 <= x <= 0.124) solid solutions were synthesized via hydrogen reduction ofLi2MoO4in the temperature range of 650-1100 degrees C, withxdecreasing with theincrease of the reduction temperature. The solid solutions adopt a monoclinicallydistorted O3-type layered average structure and demonstrate a robust localordering of the Li cations and Mo3triangular clusters within the mixed Li/Mocationic layers. The local structure was scrutinized in detail by electron diffractionand aberration-corrected scanning transmission electron microcopy (STEM),resulting in an ordering model comprising a uniform distribution of the Mo3clusters compatible with local electroneutrality and chemical composition. The geometry of the triangular clusters with their oxygenenvironment (Mo3O13groups) has been directly visualized using differential phase contrast STEM imaging. The established localstructure was used as input for density functional theory (DFT)-based calculations; they support the proposed atomic arrangementand provide a plausible explanation for the staircase galvanostatic charge profiles upon electrochemical Li+extraction fromLi2+xMo1-xO3in Li cells. According to DFT, all electrochemical capacity in Li2+xMo1-xO3solely originates from the cationic Moredox process, which proceeds via oxidation of the Mo3triangular clusters into bent Mo3chains where the electronic capacity of the clusters depends on the initial chemical composition and Mo oxidation state defining the width of the first charge low-voltageplateau. Further oxidation at the high-voltage plateau proceeds through decomposition of the Mo3chains into Mo2dimers and further into individual Mo6+cations |
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Place of Publication |
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Language |
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Wos |
000789034200023 |
Publication Date |
2022-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
The authors acknowledge Russian Science Foundation (grant 20-43-01012) and Research Foundation Flanders (FWO Vlaanderen, project number G0F1320N) for financial support. The authors are grateful to AICF of Skoltech for providing access to electron microscopy equipment. The authors are grateful to Prof. G. Van Tendeloo for discussing the results. |
Approved |
Most recent IF: 4.6 |
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| |
Call Number |
UA @ admin @ c:irua:188631 |
Serial |
7079 |
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| Permanent link to this record |
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Author |
Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J. |
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Title |
Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
61 |
Issue |
31 |
Pages |
10-12385 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000841943600001 |
Publication Date |
2022-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.6 |
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Call Number |
UA @ admin @ c:irua:190007 |
Serial |
7215 |
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Author |
Gamon, J.; Bassat, J.-M.; Villesuzanne, A.; Duttine, M.; Batuk, M.; Vandemeulebroucke, D.; Hadermann, J.; Alassani, F.; Weill, F.; Durand, E.; Demourgues, A. |
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Title |
Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1-x(x=0.08, 0.2) with a layered Perovskite network |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
62 |
Issue |
27 |
Pages |
10822-10832 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sr2FeO3+x F1-x (x = 0.08, 0.2), an n = 1 Ruddlesden-Popperphase, was synthesized from the oxidationof Sr2FeO3F in air at high temperature followinga fluorine for oxygen substitution and Fe3+ to Fe4+ oxidation. A structural investigation of both compounds was performedusing complementary and high-resolution techniques (Synchrotron X-rayand electron diffraction, Mo''ssbauer spectroscopy, HR-STEM)coupled to DFT calculation. This study reveals that oxidation leadsto a high degree of apical anion disorder coupled to antiphase boundaries. Sr2FeO3F, an oxyfluoride compoundwith an n = 1 Ruddlesden-Popper structure,was identifiedas a potential interesting mixed ionic and electronic conductor (MIEC).The phase can be synthesized under a range of different pO(2) atmospheres, leading to various degrees of fluorinefor oxygen substitution and Fe4+ content. A structuralinvestigation and thorough comparison of both argon- and air-synthesizedcompounds were performed by combining high-resolution X-ray and electrondiffraction, high-resolution scanning transmission electron microscopy,Mo''ssbauer spectroscopy, and DFT calculations. While the argon-synthesizedphase shows a well-behaved O/F ordered structure, this study revealedthat oxidation leads to averaged large-scale anionic disorder on theapical site. In the more oxidized Sr2FeO3.2F0.8 oxyfluoride, containing 20% of Fe4+, two differentFe positions can be identified with a 32%/68% occupancy (P4/nmm space group). This originates due to the presenceof antiphase boundaries between ordered domains within the grains.Relations between site distortion and valence states as well as stabilityof apical anionic sites (O vs F) are discussed. This study paves theway for further studies on both ionic and electronic transport propertiesof Sr2FeO3.2F0.8 and its use in MIEC-baseddevices, such as solid oxide fuel cells. |
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Corporate Author |
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Place of Publication |
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Wos |
001018974700001 |
Publication Date |
2023-06-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.6 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.6; 2023 IF: 4.857 |
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Call Number |
UA @ admin @ c:irua:197789 |
Serial |
8881 |
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Author |
Dharanipragada, N.V.R.A.; Meledina, M.; Galvita, V.V.; Poelman, H.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
Deactivation study of Fe2O3-CeO2 during redox cycles for CO production from CO2 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
Ind Eng Chem Res |
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Volume |
55 |
Issue |
55 |
Pages |
5911-5922 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Deactivation was investigated in Fe2O3-CeO2 oxygen storage materials during repeated H-2-reduction and CO2-reoxidation. In situ XRD, XAS, and TEM were used to identify phases, crystallite sizes, and morphological changes upon cycling operation. The effect of redox cycling was investigated both in Fe-rich (80 wt % Fe2O3-CeO2) and Ce-rich (10 wt %Fe2O3-CeO2) materials. The former consisted of 100 nm Fe2O3 particles decorated with 5-10 nm Ce1-xFexO2-x. The latter presented CeO2 with incorporated Fe, i.e. a solid solution of Ce1-xFexO2-x, as the main oxygen carrier. By modeling the EXAFS Ce-K signal for as-prepared 10 wt %Fe2O3-CeO2, the amount of Fe in CeO2 was determined as 21 mol %, corresponding to 86% of the total iron content. Sintering and solid solid transformations, the latter including both new phase formation and element segregation, were identified as deactivation pathways upon redox cycling. In Ce-rich material, perovskite (CeFeO3) was identified by XRD. This phase remained inert during reduction and reoxidation, resulting in an overall lower oxygen storage capacity. Further, Fe segregated from the solid solution, thereby decreasing its reducibility. In addition, an increase in crystallite size occurred for all phases. In Fe-rich material, sintering is the main deactivation pathway, although Fe segregation from the solid solution and perovskite formation cannot be excluded. |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000376825300013 |
Publication Date |
2016-04-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0888-5885; 1520-5045 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843 |
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Call Number |
UA @ lucian @ c:irua:134214 |
Serial |
4158 |
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Author |
Van Aert, S.; den Dekker, A.J.; van den Bos, A.; van Dyck, D. |
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Title |
High-resolution electron microscopy : from imaging toward measuring |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
IEEE transactions on instrumentation and measurement |
Abbreviated Journal |
Ieee T Instrum Meas |
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Volume |
51 |
Issue |
4 |
Pages |
611-615 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Place of Publication |
New York, N.Y. |
Editor |
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Wos |
000178992000010 |
Publication Date |
2003-01-03 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0018-9456; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.456 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.456; 2002 IF: 0.592 |
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Call Number |
UA @ lucian @ c:irua:47521 |
Serial |
1450 |
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Author |
Van den Broek, W.; Reed, B.W.; Béché, A.; Velazco, A.; Verbeeck, J.; Koch, C.T. |
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Title |
Various compressed sensing setups evaluated against Shannon sampling under constraint of constant illumination |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
IEEE transactions on computational imaging |
Abbreviated Journal |
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Volume |
5 |
Issue |
3 |
Pages |
502-514 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Under the constraint of constant illumination, an information criterion is formulated for the Fisher information that compressed sensing measurements in optical and transmission electron microscopy contain about the underlying parameters. Since this approach requires prior knowledge of the signal's support in the sparse basis, we develop a heuristic quantity, the detective quantum efficiency (DQE), that tracks this information criterion well without this knowledge. In this paper, it is shown that for the investigated choice of sensing matrices, and in the absence of read-out noise, i.e., with only Poisson noise present, compressed sensing does not raise the amount of Fisher information in the recordings above that of Shannon sampling. Furthermore, enabled by the DQE's analytical tractability, the experimental designs are optimized by finding out the optimal fraction of on pixels as a function of dose and read-out noise. Finally, we introduce a regularization and demonstrate, through simulations and experiment, that it yields reconstructions attaining minimum mean squared error at experimental settings predicted by the DQE as optimal. |
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Wos |
000480352600013 |
Publication Date |
2019-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2333-9403 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.546 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by the Hercules fund from the Flemish Government (Qu-Ant-EM microscope used for the experimental data). The work of W. Van den Broek was supported by the DFG under Grant BR 5095/2-1 (Compressed sensing in ptychography and transmission electron microscopy). The work of A. Beche, A. Velazco, and J. Verbeeck was supported by the FWO under Grant G093417N (Compressed sensing enabling low dose imaging in transmission electron microscopy). The work of Christoph T. Koch was supported by the DFG under Grant CRC 951. The associate editor coordinating the review of this manuscript and approving it for publication was Dr. Chrysanthe Preza. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:161792 |
Serial |
5368 |
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Author |
Bals, S.; Van Tendeloo, G.; Rijnders, G.; Huijben, M.; Leca, V.; Blank, D.H.A. |
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Title |
Transmission electron microscopy on interface engineered superconducting thin films |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
Ieee T Appl Supercon |
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Volume |
13 |
Issue |
2:3 |
Pages |
2834-2837 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy is used to evaluate different deposition techniques, which optimize the microstructure and physical properties of superconducting thin films. High-resolution electron microscopy proves that the use of an YBa2Cu2Ox buffer layer can avoid a variable interface configuration in YBa2Cu3O7-delta thin films grown on SrTiO3. The growth can also be controlled at an atomic level by, using sub-unit cell layer epitaxy, which results in films with high quality and few structural defects. Epitaxial strain in Sr0.85La0.15CuO2 infinite layer thin films influences the critical temperature of these films, as well as the microstructure. Compressive stress is released by a modulated or a twinned microstructure, which eliminates superconductivity. On the other hand, also tensile strain seems to lower the critical temperature of the infinite layer. |
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Corporate Author |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000184242400101 |
Publication Date |
2003-07-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
13 |
Open Access |
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Notes |
Iuap V-1; Fwo |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:103292 |
Serial |
3712 |
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Author |
Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Hanisch, J.; Sieger, M.; Usoskin, A.; Stromer, J.; Holzapfel, B.; Schultz, L.; Huhne, R. |
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Title |
Reduced Anisotropy and Enhanced In-Field Performance of Thick BaHfO3-Doped Films on ABAD-YSZ Templates |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
26 |
Issue |
26 |
Pages |
1-4 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Pure and 6 mol% BaHfO3 (BHO) doped YBa2Cu3O7-δ (YBCO) films were prepared on CeO2-buffered ABAD-YSZ templates by pulsed laser deposition. The self-field Jc at 77 K reaches 1.1 MA/cm² in the doped sample compared to 2.5 MA/cm² in pure YBCO, at a film thickness of around 1 μm. Above a magnetic field of 2.2 T along B||c, Jc of the BHO-doped sample exceeds the Jc of the undoped film. The maximum pinning force density (FP,max) reaches a value of around 3 GN/cm² for both samples, but B(FP,max) increases from 1.4 T (pure) to a value of 2.9 T (BHO:YBCO). The Jc anisotropy curves of the doped sample show a large and broad peak at B||c and a strongly reduced anisotropy at all temperatures and fields compared to the pure sample. A complex defect structure with YBa2Cu4O8 intergrowths, Y2O3 precipitates and BHO nanocolumns with a fanshaped structure is observed by TEM investigations, which can explain the measured Jc(B,θ) behavior. |
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Place of Publication |
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Wos |
000376189700001 |
Publication Date |
2016-03-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
14 |
Open Access |
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Notes |
This work was supported by EUROTAPES, a collaborative project funded by the European Union’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. |
Approved |
Most recent IF: NA |
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Call Number |
c:irua:133779 |
Serial |
4078 |
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Author |
Sieger, M.; Pahlke, P.; Hanisch, J.; Sparing, M.; Bianchetti, M.; MacManus-Driscoll, J.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Nast, R.; Schultz, L.; Holzapfel, B.; Huhne, R. |
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Title |
Ba2Y(Nb/Ta)O6–Doped YBCO Films on Biaxially Textured Ni–5at.% W Substrates |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
26 |
Issue |
26 |
Pages |
1-5 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The incorporation of nanoscaled pinning centers in superconducting YBa2Cu3O7-d (YBCO) films is one of the core topics to enhance the critical current density Jc(B, Q) of coated conductors. The mixed double-perovskite Ba2Y(Nb/Ta)O6 (BYNTO) can be grown in nanosized columns parallel the YBCO c-axis and in step-like patterns, making it customizable to meet specific working conditions (T, B, Q). We compare a 1.6 μm thick film of pure YBCO and a similar film with additional 5 mol% of BYNTO, grown by pulsed laser deposition with a growth rate of 1.6 nm/s on buffered biaxially textured Ni-5at.% W tape. Our doped sample shows nanosized BYNTO columns parallel cYBCO and plates in the ab-plane containing Y, Nb and Ta. An improved homogeneity of the critical current density Jc over the sample was evaluated from trapped field profiles measured with a scanning Hall probe microscope. The mean Jc in rolling direction of the tape is 1.8 MA/cm² (77 K, self-field) and doubles the value of the undoped sample. Angular dependent measurements of the critical current density, Jc(Q), show a decreased anisotropy of the doped film for various magnetic fields at 77 K as well as 64 K. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000375581500001 |
Publication Date |
2016-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
6 |
Open Access |
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Notes |
This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. |
Approved |
Most recent IF: NA |
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Call Number |
c:irua:133781 |
Serial |
4079 |
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Author |
Sieger, M.; Pahlke, P.; Ottolinger, R.; Stafford, B.H.; Lao, M.; Meledin, A.; Bauer, M.; Eisterer, M.; Van Tendeloo, G.; Schultz, L.; Nielsch, K.; Hühne, R. |
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Title |
Influence of substrate tilt angle on the incorporation of BaHfO3 in thick YBa2Cu3O7-δ films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
27 |
Issue |
27 |
Pages |
1-4 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
High critical current densities can be realized in high-temperature superconductors such as YBa2Cu3O7-δ (YBCO) by controlling density, shape, size and direction of a secondary phase. Whereas the dependence on the growth rate and deposition temperature has been widely studied as key parameters for nano-engineering the pinning landscape, the vicinal tilt of the substrate surface might have an additional influence. Therefore, we deposited 6 mol% BaHfO3 (BHO) doped YBCO on SrTiO3 (STO) substrates with vicinal angles α between 0° and 40° to identify the influence of the tilt on the growth mode of BHO. An undisturbed epitaxial growth of the superconductor as well as an epitaxial integration of the BHO phase in the YBCO matrix is observed for all vicinal angles investigated. The critical temperature is constant up to α = 20°, whereas the self-field critical current density at 77 K starts to decrease above 10°. A detailed structural analysis of the film cross sections showed that the growth mode of BHO changes already for a vicinal tilt of 2° from a pure c-axis oriented growth to a layered structure with BHO aligned parallel to the YBCO ab-plane. We identified a strong influence of such a microstructure on the current flow in BHO doped YBCO films on STO substrates as well as on MgO based coated conductors prepared by inclined substrate deposition |
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Publisher |
Institute of Electrical and Electronics Engineers (IEEE) |
Place of Publication |
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Wos |
000418469400001 |
Publication Date |
2016-11-22 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
3 |
Open Access |
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Notes |
This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432.The authors would like to thank R. Nast, M. Reitner, M. Kühnel, U. Fiedler and J. Scheiter for technical assistance. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @ Sieger_2016a c:irua:138603 |
Serial |
4317 |
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Author |
Sieger, M.; Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Ottolinger, R.; Haenisch, J.; Holzapfel, B.; Usoskin, A.; Kursumovic, A.; MacManus-Driscoll, J.L.; Stafford, B.H.; Bauer, M.; Nielsch, K.; Schultz, L.; Huehne, R. |
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Title |
Tailoring microstructure and superconducting properties in thick BaHfO3 and Ba2YNb/Ta)O-6 doped YBCO films on technical templates |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
27 |
Issue |
4 |
Pages |
6601407 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The current transport capability of YBa2Cu3O7-x(YBCO) based coated conductors (CCs) is mainly limited by two features: the grain boundaries of the used textured template, which are transferred into the superconducting film through the buffer layers, and the ability to pin magnetic flux lines by incorporation of defined defects in the crystal lattice. By adjusting the deposition conditions, it is possible to tailor the pinning landscape in doped YBCO in order to meet specific working conditions (T, B) for CC applications. To study these effects, we deposited YBCO layers with a thickness of about 1-2 mu m using pulsed laser deposition on buffered rolling-assisted biaxially textured Ni-W substrates as well as on metal tapes having either an ion-beam-texturedYSZbuffer or an MgO layer textured by inclined substrate deposition. BaHfO3 and the mixed double-perovskite Ba2Y(Nb/Ta)O-6 were incorporated as artificial pinning centers in these YBCO layers. X-ray diffraction confirmed the epitaxial growth of the superconductor on these templates as well as the biaxially oriented incorporation of the secondary phase additions in the YBCO matrix. A critical current density J(c) of more than 2 MA/cm(2) was achieved at 77 K in self-field for 1-2 mu m thick films. Detailed TEM (transmission electron microscopy) studies revealed that the structure of the secondary phase can be tuned, forming c-axis aligned nanocolumns, ab-oriented platelets, or a combination of both. Transport measurements show that the J(c) anisotropy in magnetic fields is reduced by doping and the peak in the J(c) (theta) curves can be correlated to the microstructural features. |
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Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000394588100001 |
Publication Date |
2016-12-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
12 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/2007-2013) under Grant Agreement no. 280432. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:141961 |
Serial |
4693 |
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Author |
Roxana Vlad, V.; Bartolome, E.; Vilardell, M.; Calleja, A.; Meledin, A.; Obradors, X.; Puig, T.; Ricart, S.; Van Tendeloo, G.; Usoskin, A.; Lee, S.; Petrykin, V.; Molodyk, A. |
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Title |
Inkjet printing multideposited YBCO on CGO/LMO/MgO/Y2O3/Al2O3/Hastelloy tape for 2G-coated conductors |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
28 |
Issue |
4 |
Pages |
6601805 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present the preparation of a new architecture of coated conductor by Inkjet printing of low fluorine YBa2Cu3O7-x (YBCO) on top of SuperOx tape: CGO/LMO/IBAD-MgO/Y2O3/Al-2 O-3/Hastelloy. A five-layered multideposited, 475-nm-thick YBCO film was structurally and magnetically characterized. A good texture was achieved using this combination of buffer layers, requiring only a 30-nm-thin ion-beam-assisted deposition (IBAD)-MgO layer. The LF-YBCO CC reaches self-field critical current density values of J(c)(GB) similar to NJ 15.9 MA/cm(2) (5 K), similar to 1.23 MA/cm(2) (77 K) corresponding to an I-c (77 K) = 58.4 A/cm-width. Inkjet printing offers a flexible and cost effective method for YBCO deposition, allowing patterning of structures. |
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Corporate Author |
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Thesis |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000429010900001 |
Publication Date |
2018-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.288 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
; This work was performed within the framework of the EUROTAPES Project FP7-NMP.2011.2.2-1 under Grant280432, funded by the EU. ICMAB research was financed by the Ministry of Economy and Competitiveness, and FEDER funds under Projects MAT2011-28874-C02-01, MAT2014-51778-C2-1-R, ENE2014-56109-C3-3-R, and Consolider Nanoselect CSD2007-00041, and by Generalitat de Catalunya (2009 SGR 770, 2015 SGR 753, and Xarmae). ICMAB acknowledges support from Severo Ochoa Program (MINECO) under Grant SEV-2015-0496. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:150711 |
Serial |
4971 |
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Author |
Sieger, M.; Pahlke, P.; Lao, M.; Meledin, A.; Eisterer, M.; Van Tendeloo, G.; Schultz, L.; Nielsch, K.; Huehne, R. |
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Title |
Thick secondary phase pinning-enhanced YBCO films on technical templates |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
28 |
Issue |
4 |
Pages |
8000505 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The critical current I-c(B) of YBa2Cu3O7-delta (YBCO) coated conductors can be increased by growing thicker superconductor layers as well as improving the critical current density J(c)(B) by the incorporation of artificial pinning centers. We studied the properties of pulsed laser deposited BaHfO3 (BHO)-doped YBCO films with thicknesses of up to 5 mu m on buffered rolling-assisted biaxially textured Ni-5 at % W tape and alternating beam assisted deposition textured Yttrium-stabilized ZrO2 layers on stainless steel. X-Ray diffraction confirms the epitaxial growth of the superconductor on the buffered metallic template. BHO additions reduce the film porosity and lower the probability to grow misoriented grains, hence preventing the J(c) decrease observed in undoped YBCO films with thicknesses > 2 mu m. Thereby, a continuous increase in I-c at 77 K is achieved. A mixed structure of secondary phase nanorods and platelets with different orientations increases J(c)(B) in the full angular range and simultaneously lowers the J(c) anisotropy compared to pristine YBCO. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000427623700001 |
Publication Date |
2018-01-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.288 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement no. 280432. Max Sieger acknowledges funding by the Graduate Academy of the Technical University Dresden, funded by means of the Excellence Initiative by the German Federal and State Governments. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:150712 |
Serial |
4986 |
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Author |
Ranjbar, S.; Hadipour, A.; Vermang, B.; Batuk, M.; Hadermann, J.; Garud, S.; Sahayaraj, S.; Meuris, M.; Brammertz, G.; da Cunha, A.F.; Poortmans, J. |
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Title |
P-N Junction Passivation in Kesterite Solar Cells by Use of Solution-Processed TiO2 Layer |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
IEEE journal of photovoltaics |
Abbreviated Journal |
Ieee J Photovolt |
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Volume |
7 |
Issue |
7 |
Pages |
1130-1135 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this work, we used a solution-processed TiO2 layer between Cu2ZnSnSe4 and CdS buffer layer to reduce the recombination at the p–n junction. Introducing the TiO2 layer showed a positive impact on VOC but fill factor and efficiency decreased. Using a KCN treatment, we could create openings in the TiO2 layer, as confirmed by transmission electron microscopy measurements. Formation of these openings in the TiO2 layer led to the improvement of the short-circuit current, fill factor, and the efficiency of the modified solar cells. |
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000404258900026 |
Publication Date |
2017-04-25 |
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Edition |
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ISSN |
2156-3381 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.712 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
This work was supported in part by the European Union’s Horizon 2020 research and innovation program under Grant 640868, in part by the Flemish government, Department Economy, Science and Innovation, in part by the FEDER funds through the COMPETE 2020 Programme, and in part by the National Funds through FCT – Portuguese Foundation for Science and Technology under the project UID/CTM/50025/2013. The work of S. Ranjbar was supported by the Portuguese Science and Technology Foundation through Ph.D. grant SFRH/BD/78409/2011. The work of B. Vermang was supported by the Flemish Research Foundation FWO (mandate 12O4215N). |
Approved |
Most recent IF: 3.712 |
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Call Number |
EMAT @ emat @ c:irua:143986 |
Serial |
4583 |
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Author |
Schryvers, D.; Van Landuyt, J. |
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Title |
Electron microscopy study of twin sequences and branching in NissAl34 3R martensite |
Type |
A3 Journal Article |
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Year |
1992 |
Publication |
ICOMAT |
Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
A3 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Microtwin sequences in Ni66Al34 martensite plates of different size were investigated by electron microscopy. Although mostly irregular sequences were observed an average twin width w can be determined which increases with twin length L following the expected relation w ~ sqrt(L). High resolution electron microscopy was used to study the twin branching close to the plate boundaries and an atomic model for the branching of a microtwin and the changes in twin thickness is suggested |
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0000-00-00 |
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no |
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Call Number |
EMAT @ emat @ |
Serial |
5054 |
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Author |
Van Tendeloo, G.; Hervieu, M.; Chaillout, C. |
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Title |
Defect structure of Hg-based ceramic superconductors |
Type |
A3 Journal article |
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Year |
1994 |
Publication |
Icem |
Abbreviated Journal |
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Volume |
13 |
Issue |
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Pages |
949-952 |
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Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
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0000-00-00 |
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UA library record |
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no |
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Call Number |
UA @ lucian @ c:irua:10050 |
Serial |
620 |
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Author |
De Meulenaere, P.; Van Tendeloo, G.; van Landuyt, J. |
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Title |
Direct observation of clusters in some FCC alloys by HREM |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Icem |
Abbreviated Journal |
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Volume |
13 |
Issue |
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Pages |
447-448 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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A1994BE09X00207 |
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0000-00-00 |
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UA library record; WoS full record; |
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no |
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Call Number |
UA @ lucian @ c:irua:10052 |
Serial |
716 |
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Author |
Goessens, C.; Schryvers, D.; van Dyck, D.; van Landuyt, J.; de Keyzer, R. |
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Title |
Electron diffraction evidence for ordering of interstitial silver ions in silver bromide microcrystals |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Icem |
Abbreviated Journal |
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Volume |
13 |
Issue |
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Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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A1994BC23W00081 |
Publication Date |
0000-00-00 |
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Series Issue |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:10058 |
Serial |
918 |
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