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Author |
Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V. |
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Title  |
Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
58 |
Issue |
44 |
Pages |
15855-15862 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes. |
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Corporate Author |
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Place of Publication |
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Editor |
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Wos |
000491219600038 |
Publication Date |
2019-10-28 |
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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 |
1433-7851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
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Open Access |
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Notes |
the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. |
Approved |
Most recent IF: 11.994 |
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Call Number |
EMAT @ emat @c:irua:164752 |
Serial |
5433 |
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Author |
Demiroglu, I.; Karaaslan, Y.; Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. |
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Title |
Computation of the thermal expansion coefficient of graphene with Gaussian approximation potentials |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
125 |
Issue |
26 |
Pages |
14409-14415 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Direct experimental measurement of thermal expansion coefficient without substrate effects is a challenging task for two-dimensional (2D) materials, and its accurate estimation with large-scale ab initio molecular dynamics is computationally very expensive. Machine learning-based interatomic potentials trained with ab initio data have been successfully used in molecular dynamics simulations to decrease the computational cost without compromising the accuracy. In this study, we investigated using Gaussian approximation potentials to reproduce the density functional theory-level accuracy for graphene within both lattice dynamical and molecular dynamical methods, and to extend their applicability to larger length and time scales. Two such potentials are considered, GAP17 and GAP20. GAP17, which was trained with pristine graphene structures, is found to give closer results to density functional theory calculations at different scales. Further vibrational and structural analyses verify that the same conclusions can be deduced with density functional theory level in terms of the reasoning of the thermal expansion behavior, and the negative thermal expansion behavior is associated with long-range out-of-plane phonon vibrations. Thus, it is argued that the enabled larger system sizes by machine learning potentials may even enhance the accuracy compared to small-size-limited ab initio molecular dynamics. |
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Corporate Author |
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Place of Publication |
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Wos |
000672734100027 |
Publication Date |
2021-06-24 |
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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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:179850 |
Serial |
7719 |
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Author |
Romero-Pastor, J.; Duran, A.; Rodríguez-Navarro, A.B.; Van Grieken, R.; Cardell, C. |
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Title |
Compositional and quantitative microtextural characterization of historic paintings by micro-X-ray diffraction and Raman microscopy |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
83 |
Issue |
22 |
Pages |
8420-8428 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This work shows the benefits of characterizing historic paintings via compositional and microtextural data from micro-X-ray diffraction (μ-XRD) combined with molecular information acquired with Raman microscopy (RM) along depth profiles in paint stratigraphies. The novel approach was applied to identify inorganic and organic components from paintings placed at the 14th century Islamic UniversityMadrasah Yusufiyyain Granada (Spain), the only Islamic University still standing from the time of Al-Andalus (Islamic Spain). The use of μ-XRD to obtain quantitative microtextural information of crystalline phases provided by two-dimensional diffraction patterns to recognize pigments nature and manufacture, and decay processes in complex paint cross sections, has not been reported yet. A simple Nasrid (14th century) palette made of gypsum, vermilion, and azurite mixed with glue was identified in polychromed stuccos. Here also a Christian intervention was found via the use of smalt, barite, hematite, Brunswick green and gold; oil was the binding media employed. On mural paintings and wood ceilings, more complex palettes dated to the 19th century were found, made of gypsum, anhydrite, barite, dolomite, calcite, lead white, hematite, minium, synthetic ultramarine blue, and black carbon. The identified binders were glue, egg yolk, and oil. |
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Wos |
000296830200011 |
Publication Date |
2011-10-10 |
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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 |
0003-2700; 5206-882x |
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 |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:92679 |
Serial |
7715 |
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Author |
Cagno, S.; Janssens, K.; Mendera, M. |
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Title |
Compositional analysis of Tuscan glass samples: in search of raw materials fingerprints |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
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Volume |
391 |
Issue |
4 |
Pages |
1389-1395 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Language |
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Wos |
000256088700035 |
Publication Date |
2008-02-25 |
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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 |
1618-2642 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.431 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.431; 2008 IF: 3.328 |
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Call Number |
UA @ admin @ c:irua:69320 |
Serial |
5545 |
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Author |
Mikhailova, D.; Kuratieva, N.N.; Utsumi, Y.; Tsirlin, A.A.; Abakumov, A.M.; Schmidt, M.; Oswald, S.; Fuess, H.; Ehrenberg, H. |
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Title |
Composition-dependent charge transfer and phase separation in the V1-xRexO2 solid solution |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
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Volume |
46 |
Issue |
5 |
Pages |
1606-1617 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The substitution of vanadium in vanadium dioxide VO2 influences the critical temperatures of structural and metal-to-insulator transitions in different ways depending on the valence of the dopant. Rhenium adopts valence states between + 4 and + 7 in an octahedral oxygen surrounding and is particularly interesting in this context. Structural investigation of V1-xRexO2 solid solutions (0.01 <= x <= 0.30) between 80 and 1200 K using synchrotron X-ray powder diffraction revealed only two polymorphs that resemble VO2: the low-temperature monoclinic MoO2-type form (space group P2(1)/c), and the tetragonal rutile-like form (space group P4(2)/mnm). However, for compositions with 0.03 < x <= 0.15 a phase separation in the solid solution was observed below 1000 K upon cooling down from 1200 K, giving rise to two isostructural phases with slightly different lattice parameters. This is reflected in the appearance of two metal-toinsulator transition temperatures detected by magnetization and specific heat measurements. Comprehensive X-ray photoelectron spectroscopy studies showed that an increased amount of Re leads to a change in the Re valence state from solely Re6+ at a low doping level (<= 3 at% Re) via mixed-valence states Re4+/Re6+ for at least 0.03 < x <= 0.10, up to nearly pure Re4+ in V0.70Re0.30O2. Thus, compositions V1-xRexO2 with only one valence state of Re in the material (Re6+ or Re4+) can be obtained as a single phase, while intermediate compositions are subjected to a phase separation, presumably due to different valence states of Re. |
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Corporate Author |
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Thesis |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000395442700030 |
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 |
0300-9246; 1477-9226; 1472-7773 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.029 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; The authors are indebted to Dr G. Auffermann (Max Planck Institute for Chemical Physics of Solids, Dresden, Germany) for performing the ICP-OES analyses. This research has received a partial funding from the BMBF, project grant number 03SF0477B (DESIREE). AT acknowledges financial support from Federal Ministry for Education and Research under Sofja Kovalevksaya Award of Alexander von Humboldt Foundation. AMA is grateful to the Russian Science Foundation (grant 14-13-00680) for financial support. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:142580 |
Serial |
4642 |
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Author |
Markowicz, A.A.; Van Grieken, R.E. |
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Title |
Composition dependence of Bremsstrahlung background in electron-probe x-ray microanalysis |
Type |
A1 Journal article |
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Year |
1984 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
56 |
Issue |
12 |
Pages |
2049-2051 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
A1984TL48800021 |
Publication Date |
2005-03-08 |
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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 |
0003-2700; 5206-882x |
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 |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116518 |
Serial |
7704 |
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Author |
Potgieter-Vermaak, S.; Rotondo, G.; Novacovic, V.; Rollins, S.; Van Grieken, R. |
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Title |
Component-specific toxic concerns of the inhalable fraction of urban road dust |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Environmental geochemistry and health |
Abbreviated Journal |
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Volume |
34 |
Issue |
6 |
Pages |
689-696 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Continuous global urbanisation causes an ever-growing ecological footprint of pollution. Road dust (RD), one of these pollutants, poses a health concern due to carcinogenic and toxic components potentially present in the micron-sized fractions. The literature reports on the concentrations of trace, toxic metals and metalloids present in RD (Hooker and Nathanail in Chem Geol 226:340-351, 2006), but the literature on its molecular composition is limited. Recent reports on the bioaccessibility of platinum group metals are also reported (Colombo et al. in Chem Geol 226:340-351, 2008). In vitro and animal toxicological studies confirmed that the chemical composition of inhaled particles plays a major role in its toxic, genotoxic and carcinogenic mechanisms, but the component-specific toxic effects are still not understood. Particle-bound airborne transition metals can also lead to the production of reactive oxygen species in lung tissue; a special concern amongst particularly susceptible cohorts (children and elderly). The characterisation of the molecular composition of the fine fraction is evidently of importance for public health. During a pilot study, partially characterised size-fractioned RD samples (Barrett et al. in Eviron Sci Technol 44:2940-2946, 2010) were analysed for their elemental concentration using X-ray fluorescence spectrometry and inductively coupled plasma mass spectrometry. In addition, separately dispersed particles (200 particles per size fraction) were analysed individually by means of computer-controlled electron probe X-ray micro-analysis (CC-EPXMA) and their molecular structure probed by studying elemental associations. These were correlated with micro-Raman spectroscopy (MRS) results. It was found that the fine fraction (< 38 mu m) had the highest Pb (238 ppm) and Cr (171 ppm) concentrations. The CC-EPXMA data showed > 50 % association of Cr-rich particles with Pb, and the MRS data showed that the Cr was mostly present as lead chromate and therefore in the Cr(VI) oxidation state. Concentrations of both Pb and Cr decreased substantially (279 (< 38 mu m)-13 ppm (< 1 mm); 171 (< 38 mu m)-91 ppm (< 1 mm), respectively) in the larger fractions. Apart from rather alarmingly high concentrations of oxidative stressors (Cu, Fe, Mn), the carcinogenic and toxic potential of the inhalable fraction is evident. Preliminary bioaccessibility data indicated that both Cr and Pb are readily mobilised in artificial lysosomal liquid and up to 19 % of Cr and 47 % of Pb were released. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000310540300005 |
Publication Date |
2012-09-28 |
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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 |
0269-4042 |
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 |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:102135 |
Serial |
7699 |
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Author |
Cassidy, S.J.; Batuk, M.; Batuk, D.; Hadermann, J.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J. |
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Title |
Complex Microstructure and Magnetism in Polymorphic CaFeSeO |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
55 |
Issue |
55 |
Pages |
10714-10726 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The structural complexity of the antiferromagnetic oxide selenide CaFeSeO is described. The compound contains puckered FeSeO layers composed of FeSe2O2 tetrahedra sharing all their vertexes. Two polymorphs coexist that can be derived from an archetype BaZnSO structure by cooperative tilting of the FeSe2O2 tetrahedra. The polymorphs differ in the relative arrangement of the puckered layers of vertex-linked FeSe2O2 tetrahedra. In a noncentrosymmetric Cmc21 polymorph (a = 3.89684(2) A, b = 13.22054(8) A, c = 5.93625(2) A) the layers are related by the C-centering translation, while in a centrosymmetric Pmcn polymorph, with a similar cell metric (a = 3.89557(6) A, b = 13.2237(6) A, c = 5.9363(3) A), the layers are related by inversion. The compound shows long-range antiferromagnetic order below a Neel temperature of 159(1) K with both polymorphs showing antiferromagnetic coupling via Fe-O-Fe linkages and ferromagnetic coupling via Fe-Se-Fe linkages within the FeSeO layers. The magnetic susceptibility also shows evidence for weak ferromagnetism which is modeled in the refinements of the magnetic structure as arising from an uncompensated spin canting in the noncentrosymmetric polymorph. There is also a spin glass component to the magnetism which likely arises from the disordered regions of the structure evident in the transmission electron microscopy. |
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Address |
Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford , South Parks Road, Oxford OX1 3QR, United Kingdom |
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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 |
English |
Wos |
000385785700085 |
Publication Date |
2016-10-05 |
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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 |
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Notes |
We acknowledge the financial support of the EPSRC (Grants EP/I017844/1 and EP/M020517/1), the Leverhulme Trust (RPG-2014-221), and the Diamond Light Source (studentship support for S. J. Cassidy). We thank the ESTEEM2 network for enabling the electron microscopy investigations and the ISIS facility and the Diamond Light Source Ltd. for the award of beam time. We thank Dr. P. Manuel for assistance on WISH, Dr. R. I. Smith for assistance on GEM and POLARIS, and Dr. C. Murray and Dr. A. Baker for assistance on I11. |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @ c:irua:136823 |
Serial |
4312 |
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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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Abstract |
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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 |
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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| Permanent link to this record |
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Author |
Shevchenko, V.A.; Glazkova, I.S.; Novichkov, D.A.; Skvortsova, I.; V. Sobolev, A.; Abakumov, A.M.; Presniakov, I.A.; Drozhzhin, O.A.; V. Antipov, E. |
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Title |
Competition between the Ni and Fe redox in the O3-NaNi1/3Fe1/3Mn1/3O2 cathode material for Na-ion batteries |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
35 |
Issue |
10 |
Pages |
4015-4025 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sodium-ion batteries are attracting great attention due to their low cost and abundance of sodium. The O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide material is a promising candidate for positive electrodes (cathodes) in Na-ion batteries. However, its stable electrochemical performance is restricted by the upper voltage limit of 4.0 V (vs Na/Na+), which allows for reversibly removing 0.5-0.55 Na+ per formula unit, corresponding to the capacity of 120-130 mAh.g(-1). Further reduction of sodium content inevitably accelerates capacity degradation, and this issue calls for a detailed study of the redox reactions that accompany the electrochemical (de)intercalation of a large amount of sodium. Here, we present operando and ex situ studies using powder X-ray diffraction and X-ray absorption spectroscopy combined with Fe-57 Mossbauer spectroscopy. Our approach reveals the sequence of the redox transitions that occur during the charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2. Our data show that in addition to nickel and iron cations oxidizing to M+4, a part of iron transforms into the “3 + delta” state owing to the fast electron exchange Fe3+ + Fe4+ <-> Fe4+ + Fe3+. This process freezes upon cooling the material to 35 K, producing Fe4+ cations, some of which occupy tetrahedral positions. |
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Wos |
000985970200001 |
Publication Date |
2023-05-04 |
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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 |
0897-4756; 1520-5002 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.6 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 8.6; 2023 IF: 9.466 |
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Call Number |
UA @ admin @ c:irua:197352 |
Serial |
9013 |
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| Permanent link to this record |
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Author |
Liang, Z.; Batuk, M.; Orlandi, F.; Manuel, P.; Hadermann, J.; Hayward, M.A. |
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Title |
Competition between anion-deficient oxide and oxyhydride phases during the topochemical reduction of LaSrCoRuO₆ |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
63 |
Issue |
28 |
Pages |
12910-12919 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Binary metal hydrides can act as low-temperature reducing agents for complex oxides in the solid state, facilitating the synthesis of anion-deficient oxide or oxyhydride phases. The reaction of LaSrCoRuO6, with CaH2 in a sealed tube yields the face-centered cubic phase LaSrCoRuO3.2H1.9. The reaction with LiH under similar conditions converts LaSrCoRuO6 to a mixture of tetragonal LaSrCoRuO4.8H1.2 and cubic LaSrCoRuO3.3H2.13. The formation of the LaSrCoRuOxHy oxyhydride phases proceeds directly from the parent oxide, with no evidence for anion-deficient LaSrCoRuO6-x intermediates, in contrast with many other topochemically synthesized transition-metal oxyhydrides. However, the reaction between LaSrCoRuO6 and LiH under flowing argon yields a mixture of LaSrCoRuO5 and the infinite layer phase LaSrCoRuO4. The change to all-oxide products when reactions are performed under flowing argon is attributed to the lower hydrogen partial pressure under these conditions. The implications for the reaction mechanism of these topochemical transformations is discussed along with the role of the hydrogen partial pressure in oxyhydride synthesis. Magnetization measurements indicate the LaSrCoRuOxHy phases exhibit local moments on Co and Ru centers, which are coupled antiferromagnetically. In contrast, LaSrCoRuO4 exhibits ferromagnetic behavior with a Curie temperature above 350 K, which can be rationalized on the basis of superexchange coupling between the Co1+ and Ru2+ centers. |
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Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001259 |
Publication Date |
2024-06-28 |
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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 full record |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.6; 2024 IF: 4.857 |
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Call Number |
UA @ admin @ c:irua:207018 |
Serial |
9280 |
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Author |
Adamson, P.; Hadermann, J.; Smura, C.F.; Rutt, O.J.; Hyett, G.; Free, D.G.; Clarke, S.J. |
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Title |
Competing magnetic structures and the evolution of copper ion/vacancy ordering with composition in the manganite oxide chalcogenides Sr2MnO2Cu1.5(S1-xSex)2 |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
24 |
Issue |
14 |
Pages |
2802-2816 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The series Sr2MnO2Cu1.5(S1-xSex)(2) (0 <= x <= 1) contains mixed-valent Mn ions (Mn2+/Mn3+) in MnO2 sheets which are separated by copper-deficient antifluorite-type Cu(2-delta)Ch(2) layers with delta similar to 0.5. The compounds crystallize in the structure type first described for Sr2Mn3Sb2O2 and are described in the I4/mmm space group at ambient temperatures. Below about 250 K, ordering between Cu+ ions and tetrahedral vacancies occurs which is long-range and close to complete in the sulfide-containing end member of the series Sr2MnO2Cu1.5S2 but which occurs over shorter length scales as the selenide content increases. The superstructure is an orthorhombic 2 root 2a x root 2a x c expansion in Ibam of the room temperature cell. For x > 0.3 there are no superstructure reflections evident in the X-ray or neutron diffraction patterns, and the I4/mmm description is valid for the average structure at all temperatures. However, in the pure selenide end member, Sr2MnO2Cu1.5Se2, diffuse scattering in electron diffractograms and modulation in high resolution lattice image profiles may arise from short-range Cu/vacancy order. All members of the series exhibit long-range magnetic order. In the sulfide-rich end member and in compounds with x < 0.1 in the formula Sr2MnO2Cu1.5(S1-xSex)(2), which show well developed superstructures due to long-range Cu/vacancy order, the magnetic structure has a (1/4 1/4 0) propagation vector in which ferromagnetic zigzag chains of Mn moments in the MnO2 sheets are coupled antiferromagnetically in an arrangement described as the CE-type magnetic structure and found in many mixed-valent perovskite and Ruddlesden-Popper type oxide manganites. In these cases the magnetic cell is an a x 2b x c expansion of the low temperature Ibam structural cell. For x >= 0.2 in the formula Sr2MnO2Cu1.5(S1-xSex)(2) the magnetic structure has a (0 0 0) propagation vector and is similar to the A-type structure, also commonly adopted by some perovskite-related manganites, in which the Mn moments in the MnO2 sheets are coupled ferromagnetically and long-range antiferromagnetic order results from antiferromagnetic coupling between planes. In the region of the transition between the two different structural and magnetic long-range ordering schemes (0.1 < x < 0.2) the two magnetic structures coexist in the same sample. The evolution of the competition between magnetic ordering schemes and the length scale of the structural order with composition in Sr2MnO2Cu1.5(S1-xSex)(2) suggest that the changes in magnetic and structural order are related consequences of the introduction of chemical disorder. |
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Corporate Author |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000306674200024 |
Publication Date |
2012-06-20 |
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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 |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
11 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
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Call Number |
UA @ lucian @ c:irua:100839 |
Serial |
435 |
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Author |
Chin, C.-M.; Battle, P.D.; Blundell, S.J.; Hunter, E.; Lang, F.; Hendrickx, M.; Sena, R.P.; Hadermann, J. |
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Title |
Comparative study of the magnetic properties of La3Ni2B'O9 for B' = Nb, Ta or Sb |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
258 |
Issue |
258 |
Pages |
825-834 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Polycrystalline samples of La3Ni2NbO9 and La3Ni2TaO9 have been characterised by X-ray and neutron diffraction, electron microscopy, magnetometry and muon spin relaxation (mu SR); the latter technique was also applied to La3Ni2SbO9. On the length scale of a neutron diffraction experiment, the six-coordinate sites of the monoclinic perovskite structure are occupied in a 1:1 ordered manner by Ni and a random 1/3Ni/2/3B' mixture. Electron microscopy demonstrated that this 1:1 ordering is maintained over microscopic distances, although diffuse scattering indicative of short-range ordering on the mixed site was observed. No magnetic Bragg scattering was observed in neutron diffraction patterns collected from La3Ni2B'O-9 (B' = Nb or Ta) at 5 K although in each case mu SR identified the presence of static spins below 30 K. Magnetometry showed that La3Ni2NbO9 behaves as a spin glass below 29 K but significant short-range interactions are present in La3Ni2NbO9 below 85 K. The contrasting properties of these compounds are discussed in terms of their microstructure. |
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Place of Publication |
London |
Editor |
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Wos |
000423650400107 |
Publication Date |
2017-12-20 |
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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 |
0022-4596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
; We thank EPSRC for funding through Grants EP/M0189541 and EP/N023803. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful E. Suard for experimental assistance at ILL. ; |
Approved |
Most recent IF: 2.299 |
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Call Number |
UA @ lucian @ c:irua:149284 |
Serial |
4928 |
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Author |
Jenett, H.; Grallath, E.; Riedel, R.; Strecker, K.; Gijbels, R.; Kennis, P. |
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Title |
Comparative bulk, surface and depth profile analyses on AIN and SiC-coated B4C powders |
Type |
A3 Journal article |
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Year |
1991 |
Publication |
Fres J. Anal. Chem. |
Abbreviated Journal |
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Volume |
341 |
Issue |
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Pages |
265-271 |
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Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Wos |
A1991GJ55000022 |
Publication Date |
0000-00-00 |
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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 |
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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 |
2 |
Open Access |
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Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
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Call Number |
UA @ lucian @ c:irua:701 |
Serial |
416 |
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Author |
Hadermann, J.; Abakumov, A.M.; Van Rompaey, S.; Mankevich, A.S.; Korsakov, I.E. |
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Title |
Comment on ALaMn2O6-y (A = K, Rb): novel ferromagnetic manganites exhibiting negative giant magnetoresistance |
Type |
Editorial |
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Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
21 |
Issue |
9 |
Pages |
2000-2001 |
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Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
Washington, D.C. |
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Wos |
000265781000036 |
Publication Date |
2009-04-14 |
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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 |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
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Call Number |
UA @ lucian @ c:irua:77055 |
Serial |
411 |
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Author |
Neyts, E.C.; Bogaerts, A. |
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Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
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Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
000318294700010 |
Publication Date |
2012-12-19 |
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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 |
1432-881X;1432-2234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
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Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
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Author |
Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. |
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Title |
Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
20 |
Issue |
4 |
Pages |
2797-2808 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The vast biomedical potential of cold atmospheric pressure plasmas (CAPs) is governed by the formation of reactive species. These biologically active species are formed upon the interaction of CAPs with the surroundings. In biological milieu, water plays an essential role. The development of biomedical CAPs thus requires understanding of the sources of the reactive species in aqueous media exposed to the plasma. This is especially important in case of the COST RF plasma jet, which is developed as a reference microplasma system. In this work, we investigated the formation of the OH radicals, H atoms and H2O2 in aqueous solutions exposed to the COST plasma jet. This was done by combining experimental and modelling approaches. The liquid phase species were analysed using UV-Vis spectroscopy and spin trapping with hydrogen isotopes and electron paramagnetic resonance (EPR) spectroscopy. The discrimination between the species formed from the liquid phase and the gas phase molecules was performed by EPR and 1H-NMR analyses of the liquid samples. The concentrations of the reactive species in the gas phase plasma were obtained using a zero-dimensional (0D) chemical kinetics computational model. A three-dimensional (3D) fluid dynamics model was developed to provide information on the induced humidity in the plasma effluent. The comparison of the experimentally obtained trends for the formation of the species as a function of the feed gas and effluent humidity with the modelling results suggest that all reactive species detected in our system are mostly formed in the gas phase plasma inside the COST jet, with minor amounts arising from the plasma effluent humidity. |
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Place of Publication |
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Wos |
000423505500066 |
Publication Date |
2018-01-05 |
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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 |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
OpenAccess |
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Notes |
We are grateful to Volker Schulz-von der Gathen (Experimental Physics II: Application Oriented Plasma Physics, Ruhr-Universita¨t Bochum, Germany) for providing the COST RF plasma jet. We thank our colleagues at the University of Antwerp: Gilles Van Loon (Mechanical Workshop), Karen Leyssens (Research group PLASMANT), and Sylvia Dewilde (Department of Biomedical Sciences) for their help with the equipment. This work was funded by the European Marie Sklodowska-Curie Individual Fellowship ‘LTPAM’ within Horizon2020 (grant no. 657304). Stefan Tinck thanks the Fund for Scientific Research – Flanders (FWO) for supporting his work (grant no. 0880.212.840). |
Approved |
Most recent IF: 4.123 |
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Call Number |
PLASMANT @ plasmant @c:irua:148365 |
Serial |
4808 |
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Author |
van der Snickt, G.; Janssens, K.; Dik, J.; de Nolf, W.; Vanmeert, F.; Jaroszewicz, J.; Cotte, M.; Falkenberg, G.; Van der Loeff, L. |
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Title |
Combined use of synchrotron radiation based micro-X-ray fluorescence, micro-X-ray diffraction, micro-X-ray absorption near-edge, and micro-fourier transform infrared spectroscopies for revealing an alternative degradation pathway of the pigment cadmium yellow in a painting by Van Gogh |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
84 |
Issue |
23 |
Pages |
10221-10228 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Over the past years a number of studies have described the instability of the pigment cadmium yellow (CdS). In a previous paper we have shown how cadmium sulfide on paintings by James Ensor oxidizes to CdSO4 center dot H2O. The degradation process gives rise to the fading of the bright yellow color and the formation of disfiguring white crystals that are present on the paint surface in approximately 50 mu m sized globular agglomerations. Here, we study cadmium yellow in the painting “Flowers in a blue vase” by Vincent van Gogh. This painting differs from the Ensor case in the fact that (a) a varnish was superimposed onto the degraded paint surface and (b) the CdS paint area is entirely covered with an opaque crust. The latter obscures the yellow color completely and thus presents a seemingly more advanced state of degradation. Analysis of a cross-sectioned and a crushed sample by combining scanning microscopic X-ray diffraction (mu-XRD), microscopic X-ray absorption near-edge spectroscopy (mu-XANES), microscopic X-ray fluorescence (mu-XRF) based chemical state mapping and scanning microscopic Fourier transform infrared (mu-FT-IR) spectrometry allowed unravelling the complex alteration pathway. Although no crystalline CdSO4 compounds were identified on the Van Gogh paint samples, we conclude that the observed degradation was initially caused by oxidation of the original CdS pigment, similar as for the previous Ensor case. However, due to the presence of an overlying varnish containing lead-based driers and oxalate ions, secondary reactions took place. In particular, it appears that upon the photoinduced oxidation of its sulfidic counterion, the Cd2+ ions reprecipitated at the paint/varnish interface after having formed a complex with oxalate ions that themselves are considered to be degradation products of the resin and/or oil in the varnish. The SO42- anions, for their part, found a suitable reaction partner in Pb2+ ions stemming from a dissolved lead-based siccative that was added to the varnish to promote its drying. The resulting opaque anglesite compound in the varnish, in combination with the underlying CdC2O4 layer at the paint/varnish interface, account for the orange-gray crust that is disfiguring the painting on a macroscopic level. In this way, the results presented in this paper demonstrate how, through a judicious combined use of several microanalytical methods with speciation capabilities, many new insights can be obtained from two minute, but highly complex and heterogeneous paint samples. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000311815300013 |
Publication Date |
2012-08-30 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
59 |
Open Access |
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Notes |
; This research was supported by BELSPO via the Interuniversity Attraction Poles Programme (IUAP VI/16) and the S2-ART project (SD/RI/04A) and funded by Grants from the ESRF (EC-442) and PETRA-III (I-20120312 EC). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) project nos. G.0103.04, G.0689.06, and G.0704.08. The staff of the Kroller-Muller Museum and painting conservators Margje Leeuwestein and Esther Van Duijn are acknowledged for this pleasant cooperation and the authorization for the publication of the images in this article. ; |
Approved |
Most recent IF: 6.32; 2012 IF: 5.695 |
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Call Number |
UA @ admin @ c:irua:105971 |
Serial |
5526 |
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Author |
Wendelen, W.; Dzhurakhalov, A.A.; Peeters, F.M.; Bogaerts, A. |
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Title |
Combined molecular dynamics: continuum study of phase transitions in bulk metals under ultrashort pulsed laser irradiation |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
114 |
Issue |
12 |
Pages |
5652-5660 |
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| |
Keywords |
A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The phase transition processes induced by ultrashort, 100 fs pulsed laser irradiation of Au, Cu, and Ni are studied by means of a combined atomistic-continuum approach. A moderately low absorbed laser fluence range, from 200 to 600 J/m2 is considered to study phase transitions by means of a local and a nonlocal order parameter. At low laser fluences, the occurrence of layer-by-layer evaporation has been observed, which suggests a direct solid to vapor transition. The calculated amount of molten material remains very limited under the conditions studied, especially for Ni. Therefore, our results show that a kinetic equation that describes a direct solid to vapor transition might be the best approach to model laser-induced phase transitions by continuum models. Furthermore, the results provide more insight into the applicability of analytical superheating theories that were implemented in continuum models and help the understanding of nonequilibrium phase transitions. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000275855600044 |
Publication Date |
2010-01-26 |
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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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
2 |
Open Access |
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| |
Notes |
; A.D. gratefully acknowledges Professor M. Hot (ULB, Brussels) for the basic MD-code that was modified further for the laser-induced melting processes. W.W, and A.D. are thankful to Professor L.V. Zhigilei for useful discussions and advices. The calculations were performed on the CALCUA computing facility of the University of Antwerp. This work was supported by the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 4.536; 2010 IF: 4.524 |
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| |
Call Number |
UA @ lucian @ c:irua:81391 |
Serial |
402 |
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| Permanent link to this record |
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Author |
Deleu, N.; Hillen, M.; Steenackers, G.; Borms, G.; Janssens, K.; Van der Stighelen, K.; Van der Snickt, G. |
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| |
Title |
Combined macro X-ray fluorescence (MA-XRF) and pulse phase thermography (PPT) imaging for the technical study of panel paintings |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
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|
| |
Volume |
270 |
Issue |
|
Pages |
125533-11 |
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| |
Keywords |
A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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| |
Abstract |
Museum staff usually relies on a proven combination of X-ray radiography (XRR) and infrared reflectography (IRR) to study paintings in a non-destructive manner. In the last decades, however, the research toolbox of heritage scientists has expanded considerably, with a prime example being macro X-ray fluorescence (MA-XRF), producing element-specific images. The goal of this article is to illustrate the added value of augmenting MA-XRF with pulse phase thermography (PPT), a variant of active infrared thermographic imaging (IRT), which is an innovative diagnostic method that is able to reveal variations between or in materials, based on a different response to minor fluctuations in temperature when irradiated with optical radiation. By examining three 16thand 17th-century panel paintings we assess the extent in which combined MA-XRF and PPT contributes to a better understanding of two commonly encountered interventions to panel paintings: (a) Anstuckungen (enlargement of the panel) or (b) substitutions (replacement of part of the panel). Yielding information from different depths of the painting, these two techniques proved highly complementary with IRR and XRR, expanding the understanding of the build-up, genesis, and material history of the paintings. While MA-XRF documented the interventions to the wooden substrate indirectly by revealing variations in painting materials, paint handling and/ or layer sequence between the original part and the extended or replaced planks, PPT proved beneficial for the study of the wooden support itself, by providing a clear image of the wood structure quasi-free of distortion by the superimposed paint or cradling. XRR, on the other hand, revealed other features from the wood structure, not visible with PPT, and allowed looking through the wooden panels, revealing e.g. the dowels used for joining the planks. Additionally, IRR visualised dissimilarities in the underdrawings. In this way, the results indicate that PPT has the potential to become an acknowledged add-on to the expanding set of imaging methods for paintings, especially when used in combination with MA-XRF, IRR and XRR. |
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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 |
001144098200001 |
Publication Date |
2023-12-09 |
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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 |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
6.1 |
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 6.1; 2024 IF: 4.162 |
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| |
Call Number |
UA @ admin @ c:irua:203764 |
Serial |
9193 |
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| Permanent link to this record |
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Author |
Gestels, A.; Van der Snickt, G.; Caen, J.; Nuyts, G.; Legrand, S.; Vanmeert, F.; Detry, F.; Janssens, K.; Steenackers, G. |
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Title |
Combined MA-XRF, MA-XRPD and SEM-EDX analysis of a medieval stained-glass panel formerly from Notre Dame, Paris reveals its material history |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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| |
Volume |
177 |
Issue |
|
Pages |
107304 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
As part of its conservation-restoration, the 13th century stained-glass panel ‘the Annunciation’, was examined at the micro- and macro level. This window, since 1898 in the collection of the Museum Mayer Van den Bergh (Antwerp, B), was formerly a part of the southern Rose window of the Notre Dame Cathedral (Paris, F). The insigths emerging from a first phase of the analysis, comprising non-invasive analysis techniques such as optical microscopy combined with macroscopic X-ray fluorescence (MA-XRF) and X-ray diffraction (MA-XRPD) mapping, were used to select sampling positions for the second phase of investigation that involved micro-invasive analysis, namely scanning-electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX). The aim of the investigation was fourfold: (1) to assess the applicability of MA-XRF scanning for the characterisation of stained glass windows prior to any conservation or restoration procedure, (2) to assess the applicability of MA-XRPD scanning to identify the degradation products formed on the surface of stained glass windows, (3) to establish a method to limit the set of sampled glass fragments taken from a glass panel for quantititive analysis while maintaining sufficient representativeness and (4) to distinguish the original glass panes and grisaille paint from non-original glass panes that were inserted during various past interventions. Most of the panes in this window proved to consist of medieval potash glass, consistent with the 13th c. origin of the window while a limited number of panes were identified as non-original infills, with divergent glass compositional types and/or colorants. Most panes derive their color from the pot metal glass (i.e. homogenously colored) they were made of. Some of the panes that originally had a red flashed layer on their surface, completely or partially lost this layer due to weathering. Three main compositional glass families with similar color could be defined. With the exception of the yellow and orange panes, the chromophoric elements responsible for the dark(er) and light(er) blue (Co), green (Cu), purple (Mn) and red colors (Cu) were identified. Two different grisaille paints were encountered, part of which were restored during the 19th century. On the basis of this information, all missing pieces were replaced by glass panes with appropriate colors and the panel could be successfully conserved to its former glory. On the surface of several panes, typical glass degradation products such as calcite, syngenite and gypsum were identified, together with lead based degradation products such as anglesite and palmierite. In addition, the presence of hematite and melanotekite in the grisailles was observed; also the presence of Zn, uncorrelated to Cu, in the grissailes on the right side of the window became apparent. |
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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 |
000850000900001 |
Publication Date |
2022-02-22 |
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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 |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.8 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.8 |
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| |
Call Number |
UA @ admin @ c:irua:187493 |
Serial |
7138 |
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| Permanent link to this record |
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Author |
Cagno, S.; Brede, D.A.; Nuyts, G.; Vanmeert, F.; Pacureanu, A.; Tucoulou, R.; Cloetens, P.; Falkenberg, G.; Janssens, K.; Salbu, B.; Lind, O.C. |
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Title |
Combined computed nanotomography and nanoscopic x-ray fluorescence imaging of cobalt nanoparticles in caenorhabditis elegans |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
89 |
Issue |
21 |
Pages |
11435-11442 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Synchrotron radiation phase-contrast computed nanotomography (nano-CT) and two-and three-dimensional (2D and 3D) nanoscopic X-ray fluorescence (nano-XRF) were used to investigate the internal distribution of engineered-cobalt nanoparticles (Co NPs) in exposed individuals of the nematode Caenorhabditis elegans. Whole-nematodes and selected tissues and organs were 3D-rendered: anatomical 3D renderings with 50 nm voxel size enabled the visualization of spherical nanoparticle aggregates. with size tip to 200 nm within intact C. elegans. A 20 X 37 nm(2) high-brilliance beam was employed to obtain XRF elemental distribution maps of entire nematodes or anatomical details such as embryos, which could be compared with the CT data, These maps showed Co NPs to be predominantly present within the intestine and the epithelium, and they were not colocalized with Zn granules found in the lysosonie-containing vesicles or Fe agglomerates in the intestine. Iterated XRF scanning of a specimen at 0 degrees and 90 degrees angles suggested that NP aggregates were translocated into tissues outside of the intestinal lumen. Virtual-slicing by means of 2D XRF tomography, combined with holotomography, indicated presumable presence of individual NP aggregates inside the uterus and within embryos. |
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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 |
000414887000041 |
Publication Date |
2017-10-10 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
13 |
Open Access |
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Notes |
; This study has been funded by the Norwegian Research Council through its Centre of Excellence (CoE) funding scheme (Project 223268/F50). We gratefully acknowledge ESRF and DESY for granting beamtime and Karl Andreas Jensen for performing ICPMS analysis. We thank Erica Maremonti for supplying the phase-contrast image used in Figure ^1A. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:147383 |
Serial |
5520 |
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| Permanent link to this record |
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Author |
Janssens, K.; Bogaerts, A.; van Grieken, R. |
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Title |
Colloquium Spectroscopicum Internationale 34, Antwerp, Belgium, 4-9 September 2005: preface |
Type |
Editorial |
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Year |
2006 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
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Volume |
70 |
Issue |
5 |
Pages |
907-908 |
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Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Pergamon |
Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000242871900001 |
Publication Date |
2006-11-01 |
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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 |
0039-9140; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.162 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.162; 2006 IF: 2.810 |
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Call Number |
UA @ lucian @ c:irua:61094 |
Serial |
392 |
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Author |
Perreault, P.; Kummamuru, N.B.; Gonzalez Quiroga, A.; Lenaerts, S. |
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Title |
CO2 capture initiatives : are governments, society, industry and the financial sector ready? |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Current Opinion in Chemical Engineering |
Abbreviated Journal |
Curr Opin Chem Eng |
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Volume |
38 |
Issue |
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Pages |
100874 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The deployment of CCUS plants does not match the enormous requirements to meet the CO2 emission reductions fixed during the Paris agreement, and we must ask ourselves what is refraining the technology deployment, especially in light of the recent high CO2 prices. Owing to the higher costs than their fossil counterparts, Carbon Capture & Utilization represents a long-term solution. In addition to a gigantic scale-up effort even for the most mature Carbon Capture & Storage (CCS) technologies, various factors are responsible for the slow roll-out of CCS projects. Luckily, the financial sector and governments are playing their role. Support from the public is however key, and an open communication is required to convert social tolerance into social acceptance. |
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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 |
000885329800001 |
Publication Date |
2022-10-28 |
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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 |
2211-3398 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.6 |
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Call Number |
UA @ admin @ c:irua:191272 |
Serial |
7137 |
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Author |
Chakravorty, R.; Van Grieken, R. |
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Title |
Co-precipitation with iron hydroxide and X-ray fluorescence analysis of trace metals in water |
Type |
A1 Journal article |
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Year |
1982 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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Volume |
11 |
Issue |
1 |
Pages |
67-80 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Preconcentration of transition trace ions by coprecipitation on iron-hydroxide has been combined with energy-dispersive X-ray fluorescence for environmental water analysis. The optimized preconcentration procedure implies adding 2 mg of iron to a 200 ml water sample, adding dilute NaOH up to pH 9, filtering off on a Nuclepore membrane after a 1 h equilibration time, and analyzing. Quantitative recoveries could then be obtained for Ni, Cu, Zn and Pb, e.g. at the 10 μg/l level in waters of varying salinity while Mn was partially collected. (In fact, for a given problem the iron carrier amount can be adjusted to obtain a satisfactory compromise between high recovery and low detection limit). The precision is 7-8% at the 10 μg/l level, and the detection limits are in the 0.5-1 μg/l range. Various environmental water samples are analysed by way of illustration. |
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Place of Publication |
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Wos |
A1982NG99200007 |
Publication Date |
2007-07-07 |
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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 |
0306-7319 |
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 |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116573 |
Serial |
7676 |
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Author |
Vanderstappen, M.G.; Van Grieken, R.E. |
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Title |
Co-crystallization with 1-(2-pyridylazo)-2-naphthol, and X-ray fluorescence, for trace metal analysis of water |
Type |
A1 Journal article |
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Year |
1978 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
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Volume |
25 |
Issue |
11/12 |
Pages |
653-658 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Adding 20mg of 1-(2-pyridylazo)-2-naphthol (PAN) to a water sample at 70°, and filtering off the precipitate after cooling, gives efficient preconcentration prior to X-ray fluorescence analysis of water. Up to the capacity of about 100 μeq of PAN used, the trace metal recoveries are around 90% or higher for Cr3+, Mn2+, Ni2+, Cu2+, Zn2+, Hg2+ and Eu3+, and above 70% for many other ions. The recovery yields usually do not vary critically with pH in the neutral pH-range, and are practically independent of the sample salinity, sample volume and trace-metal concentration. Enrichment factors as high as 2 × 105 can be achieved. Counting statistics would then allow detection limits of 0.03 ppM. The blank levels in commercial PAN, however, lead to typical detection limits of about 1 ppm. The coefficient of variation is typically in the 510% range at the 10-ppM level. The accuracy and applicability of the procedure are illustrated by comparative analyses on samples of synthetic solutions, river and drinking water. |
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Place of Publication |
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Wos |
A1978GG18200005 |
Publication Date |
2002-07-25 |
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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 |
0039-9140; 1873-3573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116556 |
Serial |
7675 |
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| Permanent link to this record |
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Author |
Michielsen, I.; Uytdenhouwen, Y.; Pype, J.; Michielsen, B.; Mertens, J.; Reniers, F.; Meynen, V.; Bogaerts, A. |
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Title |
CO 2 dissociation in a packed bed DBD reactor: First steps towards a better understanding of plasma catalysis |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
326 |
Issue |
326 |
Pages |
477-488 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma catalysis is gaining increasing interest for CO2 conversion, but the interaction between the plasma and catalyst is still poorly understood. This is caused by limited systematic materials research, since most works combine a plasma with commercial supported catalysts and packings. In the present paper, we study the influence of specific material and reactor properties, as well as reactor/bead configuration, on the conversion and energy efficiency of CO2 dissociation in a packed bed dielectric barrier discharge (DBD) reactor. Of the various packing materials investigated, BaTiO3 yields the highest conversion and energy efficiency, i.e., 25% and 4.5%.
Our results show that, when evaluating the influence of catalysts, the impact of the packing (support) material itself cannot be neglected, since it can largely affect the conversion and energy efficiency. This shows the large potential for further improvement of packed bed plasma reactors for CO2 conversion and other chemical conversion reactions by adjusting both packing (support) properties and catalytically active sites. Moreover, we clearly prove that comparison of results obtained in different reactor setups should be done with care, since there is a large effect of the reactor setup and reactor/bead configuration. |
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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 |
000406137200047 |
Publication Date |
2017-06-01 |
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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 |
1385-8947 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
49 |
Open Access |
OpenAccess |
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Notes |
This research was carried out with financial support of the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for both I. Michielsen (IWT-141093) and J. Pype (IWT-131229) and of the Walloon region through the excellence programme FLYCOAT (nr. 1318147) for the profilometry measurements. The authors also acknowledge financial support from an IOF-SBO project from the University of Antwerp and from the Fund for Scientific Research (FWO; grant number: G.0254.14 N). This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb. ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The authors would also like to thank Koen Van Laer for the discussions on this manuscript. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144802 |
Serial |
4626 |
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| Permanent link to this record |
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Author |
Javdani, Z.; Hassani, N.; Faraji, F.; Zhou, R.; Sun, C.; Radha, B.; Neyts, E.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Clogging and unclogging of hydrocarbon-contaminated nanochannels |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
J Phys Chem Lett |
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| |
Volume |
13 |
Issue |
49 |
Pages |
11454-11463 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments. |
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Wos |
000893147700001 |
Publication Date |
2022-12-05 |
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ISSN |
1948-7185 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.7 |
Times cited |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: 5.7 |
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Call Number |
UA @ admin @ c:irua:192815 |
Serial |
7263 |
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Author |
Monico, L.; Janssens, K.; Cotte, M.; Sorace, L.; Vanmeert, F.; Brunetti, B.G.; Miliani, C. |
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Title |
Chromium speciation methods and infrared spectroscopy for studying the chemical reactivity of lead chromate-based pigments in oil medium |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Microchemical journal
T2 – TECHNART Conference, APR 27-30, 2015, Catania, ITALY |
Abbreviated Journal |
Microchem J |
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Volume |
124 |
Issue |
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Pages |
272-282 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Environmental factors, such as light, humidity and temperature are triggering agents for the alteration of organic and/or inorganic constituents of oil paintings. The oxidation of the organic material is favored by increasing of relative humidity and temperature, whereas processes involving changes of the oxidation states of a number of inorganic pigments (e.g., vermilion, cadmium yellows, zinc yellows, chrome yellows) are mainly activated by light-exposure. In view of the optimization of the long-term conservation and restoration strategies of paintings it is of relevant interest to establish the consequences of thermal parameters (temperature and relative humidity) on the chemical/photochemical-reactivity and the nature of the alteration products of light sensitive-pigments in oil medium. To this aim here we propose a multi-method analytical approach based on the combination of diffuse reflectance UV-Vis, FTIR, synchrotron radiation (SR)-based micro X-ray fluorescence (mu-XRF)/micro-X-ray absorption neat edge structure ()CANES) and electron paramagnetic resonance (EPR) spectroscopies for studying the effects of different relative humidity conditions before and after light exposure on the reactivity of a series of lead chromate-based pigments [such as PbCrO4 center dot PbO (monoclinic), PbCrO4 (monoclinic) and PbCr0.2S0.8O4 (orthorhombic)] in an oil medium. The investigation of paint models was also compared to that of a late 19th century historical orthorhombic PbCr0.4S0.6O4 oil paint. Diffuse reflectance UV-Vis and FTIR spectroscopies were used to obtain information associated with chromatic changes and the formation of organo-metal degradation products at the paint surface. SR-based Cr K-edge mu-XANES/mu-XRF mapping analysis and EPR spectroscopy were employed in a complementary fashion to determine the amount, nature and distribution of Cr(III) and Cr(V)-based alteration compounds within the paints with micrometric spatial resolution. Under the employed thermal aging conditions, lead(II)-carboxylates and reduced Cr-compounds (in abundance of up to about 35% at the surface) have been identified in the lead chromate-based paints. The tendency of chromates to become reduced increased with increasing moisture levels and was favored for the orthorhombic PbCr0.2S0.8O4 compounds. The redox process gave rise to the formation of Cr(V)-species in relative amount much higher than that was formed in the equivalent paint which was exposed only to light. After light-exposure of the thermally aged paints, compounds ascribable to the oxidation of the organic binder were detected for all the types of pigments. Nevertheless, the previous thermal treatment increased the tendency toward photo-reduction of only the PbCr0.2S0.8O4 pigment. For this light-sensitive compound, the thickness variation of the reduced Cr-rich (ca. 70%) photo-alteration layer with moisture levels could be ascribed to a surface passivation phenomenon that had already occurred before photochemical aging. (C) 2015 Elsevier B.V. All rights reserved. |
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000367755600042 |
Publication Date |
2015-09-12 |
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ISSN |
0026-265x; 0026-265x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.034 |
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Call Number |
UA @ admin @ c:irua:131099 |
Serial |
5519 |
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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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Wos |
000789034200023 |
Publication Date |
2022-04-01 |
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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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