Records |
Author |
Jardali, F.; Van Alphen, S.; Creel, J.; Ahmadi Eshtehardi, H.; Axelsson, M.; Ingels, R.; Snyders, R.; Bogaerts, A. |
Title |
NOxproduction in a rotating gliding arc plasma: potential avenue for sustainable nitrogen fixation |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
Volume |
23 |
Issue |
4 |
Pages |
1748-1757 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The fast growing world population demands food to survive, and nitrogen-based fertilizers are essential to ensure sufficient food production. Today, fertilizers are mainly produced from non-sustainable fossil fuels<italic>via</italic>the Haber–Bosch process, leading to serious environmental problems. We propose here a novel rotating gliding arc plasma, operating in air, for direct NO<sub>x</sub>production, which can yield high nitrogen content organic fertilizers without pollution associated with ammonia emission. We explored the efficiency of NO<sub>x</sub>production in a wide range of feed gas ratios, and for two arc modes: rotating and steady. When the arc is in steady mode, record-value NO<sub>x</sub>concentrations up to 5.5% are achieved which are 1.7 times higher than the maximum concentration obtained by the rotating arc mode, and with an energy consumption of 2.5 MJ mol<sup>−1</sup>(or<italic>ca.</italic>50 kW h kN<sup>−1</sup>);<italic>i.e.</italic>the lowest value so far achieved by atmospheric pressure plasma reactors. Computer modelling, using a combination of five different complementary approaches, provides a comprehensive picture of NO<sub>x</sub>formation in both arc modes; in particular, the higher NO<sub>x</sub>production in the steady arc mode is due to the combined thermal and vibrationally-promoted Zeldovich mechanisms. |
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 |
000629630600021 |
Publication Date |
2021-01-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9262 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.125 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
Fonds Wetenschappelijk Onderzoek, GoF9618n 30505023 ; H2020 European Research Council, 810182 ; This research was supported by a Bilateral Project with N2 Applied, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We also thank J.-L. Liu for the RGA design, L. Van ‘t dack and K. Leyssens for MS calibration and practical support, and K. Van ‘t Veer for the fruitful discussions on plasma kinetic modelling and for calculating the electron energy losses. |
Approved |
Most recent IF: 9.125 |
Call Number |
PLASMANT @ plasmant @c:irua:176022 |
Serial |
6678 |
Permanent link to this record |
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Author |
Holden, T.; Habermeier, H.-U.; Cristiani, G.; Golnik, A.; Boris, A.; Pimenov, A.; Humlicek, J.; Lebedev, O.I.; Van Tendeloo, G.; Keimer, B.; Bernhard, C. |
Title |
Proximity induced metal-insulator transition in YBa2Cu3O7/La2/3Ca1/3MnO3 superlattices |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
69 |
Issue |
6 |
Pages |
064505,1-064505,7 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The far-infrared dielectric response of superlattices (SL) composed of superconducting YBa2Cu3O7 (YBCO) and ferromagnetic La0.67Ca0.33MnO3 (LCMO) has been investigated by ellipsometry. A drastic decrease of the free-carrier response is observed which involves an unusually large length scale of d(crit)approximate to20 nm in YBCO and d(crit)approximate to10 nm in LCMO. A corresponding suppression of metallicity is not observed in SL's where LCMO is replaced by the paramagnetic metal LaNiO3. Our data suggest that either a long-range charge transfer from the YBCO to the LCMO layers or alternatively a strong coupling of the charge carriers to the different and competitive kind of magnetic correlations in the LCMO and YBCO layers is at the heart of the observed metal-insulator transition. The low free-carrier response observed in the far-infrared dielectric response of the magnetic superconductor RuSr2GdCu2O8 is possibly related to this effect. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000220092100066 |
Publication Date |
2004-02-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
101 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:54743 |
Serial |
2734 |
Permanent link to this record |
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Author |
Demuynck, R.; Efimova, I.; Lin, A.; Declercq, H.; Krysko, D.V. |
Title |
A 3D cell death assay to quantitatively determine ferroptosis in spheroids |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Cells |
Abbreviated Journal |
|
Volume |
9 |
Issue |
3 |
Pages |
703-713 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The failure of drug efficacy in clinical trials remains a big issue in cancer research. This is largely due to the limitations of two-dimensional (2D) cell cultures, the most used tool in drug screening. Nowadays, three-dimensional (3D) cultures, including spheroids, are acknowledged to be a better model of the in vivo environment, but detailed cell death assays for 3D cultures (including those for ferroptosis) are scarce. In this work, we show that a new cell death analysis method, named 3D Cell Death Assay (3DELTA), can efficiently determine different cell death types including ferroptosis and quantitatively assess cell death in tumour spheroids. Our method uses Sytox dyes as a cell death marker and Triton X-100, which efficiently permeabilizes all cells in spheroids, was used to establish 100% cell death. After optimization of Sytox concentration, Triton X-100 concentration and timing, we showed that the 3DELTA method was able to detect signals from all cells without the need to disaggregate spheroids. Moreover, in this work we demonstrated that 2D experiments cannot be extrapolated to 3D cultures as 3D cultures are less sensitive to cell death induction. In conclusion, 3DELTA is a more cost-effective way to identify and measure cell death type in 3D cultures, including spheroids. |
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 |
000529337400180 |
Publication Date |
2020-03-13 |
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 |
|
ISSN |
2073-4409 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
Notes |
; Research in the D.V.K. group is supported by Fund for Scientific Research Flanders (1506218N, 1507118N, G051918N and G043219N) and Ghent University (Special Research Fund IOP 01/O3618). ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:167215 |
Serial |
6446 |
Permanent link to this record |
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Author |
Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J. |
Title |
Cation ordering and flexibility of the BO42- tetrahedra in incommensurately modulated CaEu2(BO4)4 (B = Mo, W) scheelites |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
53 |
Issue |
17 |
Pages |
9407-9415 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b*, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a* + 0.82068(9)b*, q(2) = -0.82068(9)a* + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map. |
Address |
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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 |
000341229600068 |
Publication Date |
2014-08-21 |
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 |
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
48 |
Open Access |
|
Notes |
Fwo G039211n |
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
Call Number |
UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292 |
Serial |
297 |
Permanent link to this record |
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Author |
Balasubramaniam, Y.; Pobedinskas, P.; Janssens, S.D.; Sakr, G.; Jomard, F.; Turner, S.; Lu, Y.G.; Dexters, W.; Soltani, A.; Verbeeck, J.; Barjon, J.; Nesládek, M.; Haenen, K.; |
Title |
Thick homoepitaxial (110)-oriented phosphorus-doped n-type diamond |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
109 |
Issue |
109 |
Pages |
062105 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The fabrication of n-type diamond is essential for the realization of electronic components for extreme environments. We report on the growth of a 66 mu m thick homoepitaxial phosphorus-doped diamond on a (110)-oriented diamond substrate, grown at a very high deposition rate of 33 mu m h(-1). A pristine diamond lattice is observed by high resolution transmission electron microscopy, which indicates the growth of high quality diamond. About 2.9 x 10(16) cm(-3) phosphorus atoms are electrically active as substitutional donors, which is 60% of all incorporated dopant atoms. These results indicate that P-doped (110)-oriented diamond films deposited at high growth rates are promising candidates for future use in high-power electronic applications. Published by AIP Publishing. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
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Wos |
000383183600025 |
Publication Date |
2016-08-11 |
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 |
|
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
20 |
Open Access |
|
Notes |
This work was financially supported by the EU through the FP7 Collaborative Project “DIAMANT,” the “H2020 Research and Innovation Action Project” “GreenDiamond” (No. 640947), and the Research Foundation-Flanders (FWO) (Nos. G.0C02.15N and VS.024.16N). J.V. acknowledges funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. The TEM instrument was partly funded by the Hercules fund from the Flemish Government. We particularly thank Dr. J. E. Butler (Naval Research Laboratory, USA) for the sample preparation by laser slicing for TEM analysis, Dr. J. Pernot (Universite Grenoble Alpes/CNRS-Institut Neel, France) for helpful discussions, Ms. C. Vilar (Universite de Versailles St. Quentin en Yvelines, France) for technical help on SEM-CL experiments, and Dr. S. S. Nicley (Hasselt University, Belgium) for improving the language of the text. P.P. and S.T. are Postdoctoral Fellows of the Research Foundation-Flanders (FWO). |
Approved |
Most recent IF: 3.411 |
Call Number |
UA @ lucian @ c:irua:137160 |
Serial |
4407 |
Permanent link to this record |
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Author |
Schulze, A.; Hantschel, T.; Dathe, A.; Eyben, P.; Ke, X.; Vandervorst, W. |
Title |
Electrical tomography using atomic force microscopy and its application towards carbon nanotube-based interconnects |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
23 |
Issue |
30 |
Pages |
305707 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The fabrication and integration of low-resistance carbon nanotubes (CNTs) for interconnects in future integrated circuits requires characterization techniques providing structural and electrical information at the nanometer scale. In this paper we present a slice-and-view approach based on electrical atomic force microscopy. Material removal achieved by successive scanning using doped ultra-sharp full-diamond probes, manufactured in-house, enables us to acquire two-dimensional (2D) resistance maps originating from different depths (equivalently different CNT lengths) on CNT-based interconnects. Stacking and interpolating these 2D resistance maps results in a three-dimensional (3D) representation (tomogram). This allows insight from a structural (e.g. size, density, distribution, straightness) and electrical point of view simultaneously. By extracting the resistance evolution over the length of an individual CNT we derive quantitative information about the resistivity and the contact resistance between the CNT and bottom electrode. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000306333500029 |
Publication Date |
2012-07-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.44; 2012 IF: 3.842 |
Call Number |
UA @ lucian @ c:irua:100750 |
Serial |
895 |
Permanent link to this record |
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Author |
Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B. |
Title |
Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
Volume |
12 |
Issue |
5 |
Pages |
1456-1462 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems. |
Address |
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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 |
000087136800039 |
Publication Date |
2002-07-26 |
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 |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2000 IF: 3.580 |
Call Number |
UA @ lucian @ c:irua:103454 |
Serial |
3198 |
Permanent link to this record |
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Author |
Kabsch-Korbutowicz, M.; Kozak, A.; Krupińska, B. |
Title |
Ion exchange-ultrafiltration integrated process as a useful method in removing natural organic matter from water |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Environment protection engineering |
Abbreviated Journal |
|
Volume |
34 |
Issue |
2 |
Pages |
79-93 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The experiments conducted are focused on natural organic substances, removal from water in ion-exchange process, ultrafiltration process and ion exchange-ultrafiltration integrated process. The water from the Odra River and model solution were investigated. In treatment processes, various doses of 5 anion-exchange resins as well as polyethersulphone membranes with different cut-offs were used. The efficiency of process was determined by measuring a decrease both in the colour intensity and the UV 254 nm absorbance. The results show that separation efficiency in integrated process depends on resin dose added to water before ultrafiltration and on the membrane cut-off as well. Among the resins tested the most efficient was MIEX (R) resin. The ion-exchange process carried out prior to the ultrafiltration increased, especially for high cut-off membranes, NOM retention and resulted in the decrease of membrane fouling intensity. |
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 |
000257186600008 |
Publication Date |
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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 |
0324-8828 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:94633 |
Serial |
8131 |
Permanent link to this record |
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Author |
Béché, A.; Van Boxem, R.; Van Tendeloo, G.; Verbeeck, J. |
Title |
Magnetic monopole field exposed by electrons |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
Volume |
10 |
Issue |
1 |
Pages |
26-29 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The experimental search for magnetic monopole particles(1-3) has, so far, been in vain. Nevertheless, these elusive particles of magnetic charge have fuelled a rich field of theoretical study(4-10). Here, we created an approximation of a magnetic monopole in free space at the end of a long, nanoscopically thin magnetic needle(11). We experimentally demonstrate that the interaction of this approximate magnetic monopole field with a beam of electrons produces an electron vortex state, as theoretically predicted for a true magnetic monopole(3,11-18). This fundamental quantum mechanical scattering experiment is independent of the speed of the electrons and has consequences for all situations where electrons meet such monopole magnetic fields, as, for example, in solids. The set-up not only shows an attractive way to produce electron vortex states but also provides a unique insight into monopole fields and shows that electron vortices might well occur in unexplored solid-state physics situations. |
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 |
000328940100012 |
Publication Date |
2013-11-29 |
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 |
|
ISSN |
1745-2473;1745-2481; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
22.806 |
Times cited |
131 |
Open Access |
|
Notes |
Vortex; Countatoms; Fwo ECASJO_; |
Approved |
Most recent IF: 22.806; 2014 IF: 20.147 |
Call Number |
UA @ lucian @ c:irua:113740UA @ admin @ c:irua:113740 |
Serial |
1885 |
Permanent link to this record |
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Author |
Saberi-Pouya, S.; Conti, S.; Perali, A.; Croxall, A.F.; Hamilton, A.R.; Peeters, F.M.; Neilson, D. |
Title |
Experimental conditions for the observation of electron-hole superfluidity in GaAs heterostructures |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
14 |
Pages |
140501-140506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The experimental parameter ranges needed to generate superfluidity in optical and drag experiments in GaAs double quantum wells are determined using a formalism that includes self-consistent screening of the Coulomb pairing interaction in the presence of the superfluid. The very different electron and hole masses in GaAs make this a particularly interesting system for superfluidity with exotic superfluid phases predicted in the BCS-Bose-Einstein condensation crossover regime. We find that the density and temperature ranges for superfluidity cover the range for which optical experiments have observed indications of superfluidity but that existing drag experiments lie outside the superfluid range. We also show that, for samples with low mobility with no macroscopically connected superfluidity, if the superfluidity survives in randomly distributed localized pockets, standard quantum capacitance measurements could detect these pockets. |
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 |
000523627600001 |
Publication Date |
2020-04-06 |
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 |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
18 |
Open Access |
|
Notes |
; We thank K. Das Gupta, F. Dubin, U. Siciliani de Cumis, M. Pini, and J. Waldie for illuminating discus-sions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:168561 |
Serial |
6517 |
Permanent link to this record |
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Author |
De Schepper, V.C.J.; Holvoet, K.M.A.; Benedetti, L.; Seuntjens, P.; Vanrolleghem, P.A. |
Title |
Extension of the river water quality model no. 1 with the fate of pesticides |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of hydroinformatics |
Abbreviated Journal |
|
Volume |
14 |
Issue |
1 |
Pages |
48-64 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The existing River Water Quality Model No. 1 (RWQM1) was extended with processes determining the fate of non-volatile pesticides in the water phase and sediments. The exchange of pesticides between the water column and the sediment is described by three transport processes: diffusion, sedimentation and resuspension. Burial of sediments is also included. The modified model was used to simulate the concentrations of diuron and chloridazon in the river Nil. A good agreement was found between the simulated pesticide concentrations and measured values resulting from a four-month intensive monitoring campaign. The simulation results indicate that pesticide concentrations in the bulk water are not sensitive to the selected biochemical model parameters. it seems that these concentrations are mainly determined by the imposed upstream concentrations, run-off and direct losses. The high concentrations in the bulk water were not observed in the sediment pore water due to a limited exchange between the water column and the sediment. According to a sensitivity analysis, the observed pesticide concentrations are highly sensitive to the diffusion and sorption coefficients. Therefore, model users should determine these parameters with accuracy in order to reduce the degree of uncertainty in their results. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000298618300004 |
Publication Date |
2011-10-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1464-7141 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:96257 |
Serial |
7954 |
Permanent link to this record |
|
|
|
Author |
Kovba, M.L.; Skolis, Y.Y.; Abakumov, A.M.; Hadermann, J.; Sukhushina, I.S. |
Title |
The synthesis and thermodynamic properties of strontium fluoromanganite Sr2.5Mn6O12.5-\deltaF2 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Russian journal of physical chemistry A |
Abbreviated Journal |
Russ J Phys Chem A+ |
Volume |
84 |
Issue |
12 |
Pages |
2033-2038 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The existence of the [SrF(0.8)O(0.1)](2.5)[Mn(6)O(12)] = Sr(2.5)Mn(6)O(12.5 – delta)F(2) compound was established in the SrO-Mn(2)O(3)-SrF(2) system at 900A degrees C and p(O(2)) = 1 atm. The crystal structure of strontium fluoromanganite was determined from the X-ray powder diffraction data, electron diffraction, and high-resolution electron microscopy. It can be described in the monoclynic system with four Miller hklm indices: hklm: H = h a* + k b* + l c (1) (*) + m q (1), q (1), q (1) = c (2) (*) = gamma c (1) (*) , gamma a parts per thousand 0.632, a a parts per thousand a a parts per thousand 9.72 , b a parts per thousand 9.55 , c (1) a parts per thousand 2.84 , c (2) a parts per thousand 4.49 , monoclinic angle gamma a parts per thousand 95.6A degrees. The electromotive force method with a solid fluorine ion electrolyte was used to refine the composition of fluoromanganite and determine the thermodynamic functions of its formation from phases neighboring in the phase diagram (SrMn(3)O(6), Mn(2)O(3), SrF(2), and oxygen), Delta GA degrees, kJ/mol = -(111.7 +/- 1.9) + (89.5 +/- 1.5) x 10(-3) T. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000284775000004 |
Publication Date |
2011-02-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0036-0244;1531-863X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.581 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 0.581; 2010 IF: 0.503 |
Call Number |
UA @ lucian @ c:irua:99190 |
Serial |
3601 |
Permanent link to this record |
|
|
|
Author |
de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M. |
Title |
Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
7 |
Pages |
4399-4407 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000301156500007 |
Publication Date |
2012-01-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
44 |
Open Access |
|
Notes |
; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; |
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:113045 |
Serial |
482 |
Permanent link to this record |
|
|
|
Author |
Arsoski, V.; Čukarić, N.; Tadić, M.; Peeters, F.M. |
Title |
Exciton states in a nanocup in the presence of a perpendicular magnetic field |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
Volume |
T149 |
Issue |
|
Pages |
014054-014054,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The exciton states in a strained (In,Ga)As/GaAs nanocup are theoretically determined. We explore how the nanocup bottom thickness (t) affects the magnetic field dependence of the exciton energy. Strain distribution is computed by the continuum mechanical model under the approximation of isotropic elasticity. The exciton wave functions are expanded into products of the electron and hole envelope functions. For small t, the exciton ground state has zero orbital momentum and exhibits small oscillations of the second derivative when the magnetic field increases. When t approaches the value of the cup height, however, the exciton levels exhibit angular momentum transitions, whose behavior is similar to that for type-II quantum dots. Small oscillations of the oscillator strength for exciton recombination are found when the magnetic field increases. An increase in thickness of the nanocup bottom has only a small effect on those oscillations for the optically active exciton states, but the exciton ground state becomes dark when the magnetic field increases. Hence, the results of our calculations show that an increase in thickness of the nanocup bottom transforms the exciton ground energy level dependence on magnetic field from the one characteristic of type-I rings to the one characteristic of type-II dots. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Stockholm |
Editor |
|
Language |
|
Wos |
000303523500055 |
Publication Date |
2012-04-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-8949;1402-4896; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.28 |
Times cited |
2 |
Open Access |
|
Notes |
; This work was supported by the EU Network of Excellence SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 1.28; 2012 IF: 1.032 |
Call Number |
UA @ lucian @ c:irua:99135 |
Serial |
1117 |
Permanent link to this record |
|
|
|
Author |
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
Title |
On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
41 |
Pages |
21856-21863 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The exact structure and properties of the Si vertical bar SiO2 interface are very important in microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect transistors (MOSFETs) and solar cells. Whereas Si vertical bar SiO2 structures are traditionally produced by thermal oxidation, hyperthermal oxidation shows a number of promising advantages. However, the Si vertical bar SiO2 interface induced in hyperthermal Si oxidation has not been properly investigated yet. Therefore, in this work, the interface morphology and interfacial stresses during hyperthermal oxidation at room temperature are studied using reactive molecular dynamics simulations based on the ReaxFF potential. Interface thickness and roughness, as well as the bond length and bond angle distributions in the interface are discussed and compared with other models developed for the interfaces induced by traditional thermal oxidation. The formation of a compressive stress is observed. This compressive stress, which at the interface amounts about 2 GPa, significantly slows down the inward silica growth. This value is close to the experimental value in the Si vertical bar SiO2 interface obtained in traditional thermal oxidation. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000309902100026 |
Publication Date |
2012-09-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:102167 |
Serial |
2458 |
Permanent link to this record |
|
|
|
Author |
van Landuyt, J. |
Title |
The evolution of HVEM application in antwerp |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Ultramicroscopy
T2 – 2nd Osaka International Symp.on High-Voltage Electron Microscopy : New Directions and Future Aspects of High Voltage Electron Microscopy, November 8-10, 1990, Osaka University, Osaka, Japan |
Abbreviated Journal |
Ultramicroscopy |
Volume |
39 |
Issue |
1-4 |
Pages |
287-298 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The evolution of the use of the 1250 keV high-voltage electron microscope in Antwerp is sketched by illustrating a non-exhaustive set of examples in various fields. One of the main present fields of application gets some more attention, i.e. the defect studies as produced by processing steps in microelectronic devices: (i) strain-induced dislocations at the edges of various device isolation interlayers, (ii) morphologies resulting from high-energy ion implantation creating buried layers for silicon on insulator (SOI) and other implantation technologies. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Elsevier |
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1991GY23100034 |
Publication Date |
2002-10-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.436 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:95973 |
Serial |
3579 |
Permanent link to this record |
|
|
|
Author |
Leinders, G.; Grendal, O.G.; Arts, I.; Bes, R.; Prozheev, I.; Orlat, S.; Fitch, A.; Kvashnina, K.; Verwerft, M. |
Title |
Refinement of the uranium dispersion corrections from anomalous diffraction |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
Journal of Applied Crystallography |
Abbreviated Journal |
J Appl Cryst |
Volume |
57 |
Issue |
2 |
Pages |
284-295 |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The evolution of the uranium chemical state in uranium compounds, principally in the oxides, is of concern in the context of nuclear fuel degradation under storage and repository conditions, and in accident scenarios. The U–O system shows complicated phase relations between single-valence uranium dioxide (UO<sub>2</sub>) and different mixed-valence compounds (<italic>e.g.</italic>U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>7</sub>and U<sub>3</sub>O<sub>8</sub>). To try resolving the electronic structure associated with unique atomic positions, a combined application of diffraction and spectroscopic techniques, such as diffraction anomalous fine structure (DAFS), can be considered. Reported here is the application of two newly developed routines for assessing a DAFS data set, with the aim of refining the uranium X-ray dispersion corrections. High-resolution anomalous diffraction data were acquired from polycrystalline powder samples of UO<sub>2</sub>(containing tetravalent uranium) and potassium uranate (KUO<sub>3</sub>, containing pentavalent uranium) using synchrotron radiation in the vicinity of the U<italic>L</italic><sub>3</sub>edge (17.17 keV). Both routines are based on an iterative refinement of the dispersion corrections, but they differ in either using the intensity of a selection of reflections or doing a full-pattern (Rietveld method) refinement. The uranium dispersion corrections obtained using either method are in excellent agreement with each other, and they show in great detail the chemical shifts and differences in fine structure expected for tetravalent and pentavalent uranium. This approach may open new possibilities for the assessment of other, more complicated, materials such as mixed-valence compounds. Additionally, the DAFS methodology can offer a significant resource optimization because each data set contains both structural (diffraction) and chemical (spectroscopy) information, which can avoid the requirement to use multiple experimental stations at synchrotron sources. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
001208800100008 |
Publication Date |
2024-04-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1600-5767 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
6.1 |
Times cited |
|
Open Access |
|
Notes |
FPS Economy, SF-CORMOD; |
Approved |
Most recent IF: 6.1; 2024 IF: 2.495 |
Call Number |
EMAT @ emat @c:irua:206011 |
Serial |
9127 |
Permanent link to this record |
|
|
|
Author |
Cortes-Gil, R.; Parker, D.R.; Pitcher, M.J.; Hadermann, J.; Clarke, S.J. |
Title |
Indifference of superconductivity and magnetism to size-mismatched cations in the layered iron arsenides Ba1-xNaxFe2As2 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
22 |
Issue |
14 |
Pages |
4304-4311 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The evolution of the structure, magnetic ordering, and superconductivity in the series Ba(1-x)Na(x)Fe(2)As(2) is reported up to the limiting Na-rich composition with x = 0.6; the more Na-rich compositions are unstable at high temperatures with respect to competing phases. The magnetic and superconducting behaviors of the Bai,Na,Fe,As, members are similar to those of the betterinvestigated Ba(1-x)Na(x)Fe(2)As(2) analogues. This is evidently a consequence of the quantitatively similar evolution of the structure of the FeAs layers in the two series. In Ba(1-x)Na(x)Fe(2)As(2) antiferromagnetic order and an associated structural distortion are evident for x <= 0.35 and superconductivity is evident when x exceeds 0.2. For 0.4 <= x <= 0.6 bulk superconductivity is evident, and the long-range antiferromagnetically ordered state is completely suppressed. The maximum T(c) in the Ba(1-x)Na(x)Fe(2)As(2) series, as judged by the onset of diamagnetism, is 34K in Ba(0.6)Na(0.4)Fe(2)As(2). Despite the large mis-match in sizes between the two electropositive cations which separate the FeAs layers, there is no evidence for ordering of these cations on the length scale probed by electron diffraction. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000280005300027 |
Publication Date |
2010-07-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
Call Number |
UA @ lucian @ c:irua:95594 |
Serial |
1601 |
Permanent link to this record |
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|
|
Author |
Benedet, M.; Andrea Rizzi, G.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Maccato, C.; Barreca, D. |
Title |
Functionalization of graphitic carbon nitride systems by cobalt and cobalt-iron oxides boosts solar water oxidation performances |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
Volume |
618 |
Issue |
|
Pages |
156652 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The ever-increasing energy demand from the world population has made the intensive use of fossil fuels an overarching threat to global environment and human health. An appealing alternative is offered by sunlight-assisted photoelectrochemical water splitting to yield carbon-free hydrogen fuel, but kinetic limitations associated to the oxygen evolution reaction (OER) render the development of cost-effective, eco-friendly and stable electrocatalysts an imperative issue. In the present work, OER catalysts based on graphitic carbon nitride (g-C3N4) were deposited on conducting glass substrates by a simple decantation procedure, followed by functionalization with low amounts of nanostructured CoO and CoFe2O4 by radio frequency (RF)-sputtering, and final annealing under inert atmosphere. A combination of advanced characterization tools was used to investigate the interplay between material features and electrochemical performances. The obtained results highlighted the formation of a p-n junction for the g-C3N4-CoO system, whereas a Z-scheme junction accounted for the remarkable performance enhancement yielded by g-C3N4-CoFe2O4. The intimate contact between the system components also afforded an improved electrocatalyst stability in comparison to various bare and functionalized g-C3N4-based systems. These findings emphasize the importance of tailoring g-C3N4 chemico-physical properties through the dispersion of complementary catalysts to fully exploit its applicative potential. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000950654300001 |
Publication Date |
2023-02-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.7 |
Times cited |
11 |
Open Access |
OpenAccess |
Notes |
The authors gratefully acknowledge financial support from CNR (Progetti di Ricerca @CNR – avviso 2020 – ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO – NANOMAT, INSTM21PDBARMAC – ATENA) and the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. The FWO-Hercules fund G0H4316N 'Direct electron detector for soft matter TEM' is also acknowledged. Many thanks are due to Prof. Luca Gavioli (Università Cattolica del Sacro Cuore, Brescia, Italy) and Dr. Riccardo Lorenzin (Department of Chemical Sciences, Padova University, Italy) for their invaluable technical support.; esteem3reported; esteem3TA |
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
Call Number |
EMAT @ emat @c:irua:196150 |
Serial |
7376 |
Permanent link to this record |
|
|
|
Author |
Nematollahi, P.; Neyts, E.C. |
Title |
Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
Volume |
496 |
Issue |
496 |
Pages |
143618 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The ever increasing global production and dispersion of methane requires novel chemistry to transform it into easily condensable energy carriers that can be integrated into the chemical infrastructure. In this context, single atom catalysts have attracted considerable interest due to their outstanding catalytic activity. We here use density functional theory (DFT) computations to compare the reaction and activation energies of M and MN4 embedded graphene (M = Ni and Si) on the methane-to-methanol conversion near room temperature. Thermodynamically, conversion of methane to methanol is energetically favorable at ambient conditions. Both singlet and triplet spin state of the studied systems are considered in all of the calculations. The DFT results show that the barriers are significantly lower when the complexes are in the triplet state than in the singlet state. In particular, Si-G with the preferred spin multiplicity of triplet seems to be viable catalysts for methane oxidation thanks to the corresponding lower energy barriers and higher stability of the obtained configurations. Our results provide insights into the nature of methane conversion and may serve as guidance for fabricating cost-effective graphene-based single atom catalysts. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000488957400004 |
Publication Date |
2019-08-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.387 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.387 |
Call Number |
UA @ admin @ c:irua:163695 |
Serial |
6294 |
Permanent link to this record |
|
|
|
Author |
Bal, K.M. |
Title |
Nucleation rates from small scale atomistic simulations and transition state theory |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
Volume |
155 |
Issue |
14 |
Pages |
144111 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion relying only on the free energy barrier, transition state theory, and a simple dynamical correction for diffusive recrossing. In this setup, the time scale problem is overcome by using enhanced sampling methods, in casu metadynamics, whereas the impact of finite size effects can be naturally circumvented by reconstructing the free energy surface from an appropriate ensemble. Approximations from classical nucleation theory are avoided. We demonstrate the accuracy of the approach by calculating macroscopic rates of droplet nucleation from argon vapor, spanning 16 orders of magnitude and in excellent agreement with literature results, all from simulations of very small (512 atom) systems. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000755502100008 |
Publication Date |
2021-09-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 2.965 |
Call Number |
UA @ admin @ c:irua:184937 |
Serial |
8320 |
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Author |
Cotte, M.; Gonzalez, V.; Vanmeert, F.; Monico, L.; Dejoie, C.; Burghammer, M.; Huder, L.; de Nolf, W.; Fisher, S.; Fazlic, I.; Chauffeton, C.; Wallez, G.; Jimenez, N.; Albert-Tortosa, F.; Salvado, N.; Possenti, E.; Colombo, C.; Ghirardello, M.; Comelli, D.; Avranovich Clerici, E.; Vivani, R.; Romani, A.; Costantino, C.; Janssens, K.; Taniguchi, Y.; McCarthy, J.; Reichert, H.; Susini, J. |
Title |
The “Historical Materials BAG” : a new facilitated access to synchrotron X-ray diffraction analyses for cultural heritage materials at the European Synchrotron Radiation Facility |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Molecules: a journal of synthetic chemistry and natural product chemistry |
Abbreviated Journal |
Molecules |
Volume |
27 |
Issue |
6 |
Pages |
1997-21 |
Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The European Synchrotron Radiation Facility (ESRF) has recently commissioned the new Extremely Brilliant Source (EBS). The gain in brightness as well as the continuous development of beamline instruments boosts the beamline performances, in particular in terms of accelerated data acquisition. This has motivated the development of new access modes as an alternative to standard proposals for access to beamtime, in particular via the “block allocation group” (BAG) mode. Here, we present the recently implemented “historical materials BAG”: a community proposal giving to 10 European institutes the opportunity for guaranteed beamtime at two X-ray powder diffraction (XRPD) beamlines-ID13, for 2D high lateral resolution XRPD mapping, and ID22 for high angular resolution XRPD bulk analyses-with a particular focus on applications to cultural heritage. The capabilities offered by these instruments, the specific hardware and software developments to facilitate and speed-up data acquisition and data processing are detailed, and the first results from this new access are illustrated with recent applications to pigments, paintings, ceramics and wood. |
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Corporate Author |
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Wos |
000776369800001 |
Publication Date |
2022-03-21 |
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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 |
1420-3049 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.6 |
Times cited |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 4.6 |
Call Number |
UA @ admin @ c:irua:188053 |
Serial |
7218 |
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Author |
Van Echelpoel, R.; De Wael, K. |
Title |
Voltammetric drug testing makes sense at the border |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Nature Reviews Chemistry |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-2 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The European BorderSens project leverages voltammetric sensors, developed with end-users' input, to rapidly and accurately detect illicit drugs. By embracing practicalities and validation, this technology has the potential to combat the illicit drug problem. |
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Wos |
001142000900001 |
Publication Date |
2024-01-12 |
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 |
2397-3358 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:202646 |
Serial |
9112 |
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Author |
Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. |
Title |
Resource effectiveness of the European automotive sector : a statistical entropy analysis over time |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
Volume |
169 |
Issue |
|
Pages |
105558 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The European automotive sector is faced with potentially disruptive challenges. In particular, the projected increase in the share of electric vehicles (EVs) and calls to prepare for the implementation of more circular economy (CE) strategies are increasingly demanding systemic adaptations. Given the goals of the CE, the adaptations should enable a maximal preservation of the function and value of products (e.g. extension of lifetime), components (e.g. reuse of parts) and materials (e.g., material recycling), thus saving on the energy, materials and effort that would be required to restore the lost functionalities. In this context, statistical entropy analysis (SEA) is proposed as a methodology to assess the effort needed for preserving and restoring functionality at different product, component and material life cycle stages. Effort is measured as changes in statistical entropy that are caused by concentration and dilution activities in the production – consumption – End-of-Life (EoL) system. SEA was applied to a generic model of the European automotive system, in combination with a stock-driven model and a material flow analysis (MFA), allowing statistical entropy changes to be projected over time. The paper demonstrates how SEA can facilitate decision making on the transition towards a more circular economy by quantifying the effects of particular CE strategies and their combinations. The results show that without any additional system adaptations, an increasing share of EVs towards the year 2050 will lead to substantially increased effort in production as well as end-of-life vehicle treatment. |
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Place of Publication |
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Wos |
000657320800074 |
Publication Date |
2021-03-18 |
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 |
0921-3449 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.313 |
Times cited |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 3.313 |
Call Number |
UA @ admin @ c:irua:179770 |
Serial |
8475 |
Permanent link to this record |
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Author |
Deutsch, F.; Vankerkom, J.; Janssen, L.; Janssen, S.; Bencs, L.; Van Grieken, R.; Fierens, F.; Dumont, G.; Mensink, C. |
Title |
Modelling concentrations of airborne primary and secondary PM10 and PM2.5 with the BelEUROS-model in Belgium |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Ecological modelling |
Abbreviated Journal |
|
Volume |
217 |
Issue |
3/4 |
Pages |
230-239 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The Eulerian Chemistry-Transport Model BelEUROS was used to calculate the concentrations of airborne PM10 and PM2.5 over Europe. Both primary as well as secondary particulate matter in the respirable size-range was taken into account. Especially PM2.5 aerosols are often formed in the atmosphere from gaseous precursor compounds. Comprehensive computer codes for the calculation of gas phase chemical reactions and thermodynamic equilibria between compounds in the gas-phase and the particulate phase had been implemented into the BelEUROS-model. Calculated concentrations of PM10 and PM2.5 are compared to observations, including both the spatial and daily, temporal distribution of particulate matter in Belgium for certain monitoring locations and periods. The concentrations of the secondary compounds ammonium, nitrate and sulfate have also been compared to observed values. BeIEUROS was found to reproduce the observed concentrations rather well. The model was applied to assess the contribution of emissions derived from the sector agriculture in Flanders, the northern part of Belgium, to PM10- and PM2.5-concentrations. The results demonstrate the importance of ammonia emissions in the formation of secondary particulate matter. Hence, future European emission abatement policy should consider more the role of ammonia in the formation of secondary particles |
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Wos |
000259842900004 |
Publication Date |
2008-07-18 |
Series Editor |
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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 |
0304-3800 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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 |
Call Number |
UA @ admin @ c:irua:70073 |
Serial |
8268 |
Permanent link to this record |
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Author |
Snoeck, E.; Van Tendeloo, G. |
Title |
Networking strategies of the microscopy community for improved utilisation of advanced instruments : (3) two European initiatives to support TEM infrastructures and promote electron microscopy over Europe, ESTEEM (20062011) and ESTEEM 2 (20122016) |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
Volume |
15 |
Issue |
2-3 |
Pages |
281-284 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The ESTEEM consortium of electron microscopy laboratories for materials science and solid-state physics has been created as an EU-supported delocalized infrastructure (I3) to bring together the major electron microscopy centres in Europe. Its main objectives were to develop networking, to offer transnational access to these centres with specialized and complementary techniques and skills and to upgrade in close collaboration different technical and methodological aspects such as tomography, spectroscopy, holography, detectors, and specimen holders. These efforts were aimed to strengthen the position of European microscopy and to generate new technologies potentially of high relevance in many domains identified as strategic. Following the success of the first program, ESTEEM has been reconducted in 2012 for four more years with an enlarged set of partners. |
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Place of Publication |
Paris |
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Wos |
000334013600017 |
Publication Date |
2014-01-24 |
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 |
1631-0705; |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
2.048 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.048; 2014 IF: 2.035 |
Call Number |
UA @ lucian @ c:irua:115550 |
Serial |
2293 |
Permanent link to this record |
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Author |
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
252 |
Issue |
5/6 |
Pages |
398-404 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants. |
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Place of Publication |
Amsterdam |
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Wos |
A1996UJ45000017 |
Publication Date |
2003-05-12 |
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 |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
28 |
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ lucian @ c:irua:12328 |
Serial |
40 |
Permanent link to this record |
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Author |
Creemers, S.; Van Passel, S.; Vigani, M.; Vlahos, G. |
Title |
Relationship between farmers' perception of sustainability and future farming strategies : a commodity-level comparison |
Type |
A1 Journal article |
Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
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Volume |
4 |
Issue |
3 |
Pages |
613-642 |
Keywords |
A1 Journal article; Engineering Management (ENM) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The environmental challenges have become increasingly integrated into the European Union's Common Agricultural Policy (CAP). The Europe 2020 CAP Framework defines new rules for farmers and targets on innovation, resource efficiency, economic viability, and environmental sustainability. Given the continual evolution of the CAP, it is relevant to focus on sustainable agriculture and which indicators can be employed to aid our understanding of the future farming strategies. This study examines the relationship between perceived sustainability and future farming strategies for three different commodities: sugar beet, dairy, and feta cheese. Survey data collected between 2017-2018 from 191 Belgian sugar beet farmers, 524 dairy farmers (from UK, Denmark, France, and Latvia), and 150 Greek sheep and goat farmers producing milk for feta cheese were analysed using multinomial logistic regressions. Our results show that the farmers' attitude towards sustainability affects intentions to implement specific farming strategies. Belgian sugar beet farmers who perceive their supply chain arrangements (SCAs) environmentally sustainable are less likely to reduce the scale of their farms' operations rather than to maintain them. Dairy farmers are more likely to change the existing scale than to maintain scale if they perceive that production choices affect environmental sustainability to a higher extent. Dairy farmers who perceive their SCAs economically sustainable are less likely to abandon farming. Greek sheep and goat farmers who perceive their SCAs economically sustainable are more likely to expand the existing scale. The observed differences at commodity-level show the importance of well targeted policy measures towards more sustainable farming systems in the European Union. |
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Wos |
000488251600009 |
Publication Date |
2019-08-08 |
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 |
2471-2086 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. In particular we would like to thank all the participants of the 2019 SUFISA final conference at the Jagiellonian University of Krakow for fruitful discussions. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:163832 |
Serial |
6242 |
Permanent link to this record |
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Author |
Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B. |
Title |
An envelope function formalism for lattice-matched heterostructures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
Volume |
470-471 |
Issue |
470-471 |
Pages |
69-75 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the k.p matrix elements are generally only known in a particular basis. In this work, we defined a basis function transformation to alleviate this restriction. The transformation is completely described by the known inter-band momentum matrix elements. The resulting envelope function equation can solve the electronic structure in lattice matched heterostructures without resorting to boundary conditions at the interface between materials, while all unit-cell averaged observables can be calculated as with the standard envelope function formalism. In the case of two coupled bands, this heterostructure formalism is equivalent to the standard formalism while taking position dependent matrix elements. (C) 2015 Elsevier B.V. All rights reserved |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000355149600011 |
Publication Date |
2015-04-26 |
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 |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.386; 2015 IF: 1.319 |
Call Number |
c:irua:126397 |
Serial |
95 |
Permanent link to this record |
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Author |
Goemans, M.; Clarysse, P.; Joannès, J.; de Clercq, P.; Lenaerts, S.; Matthys, K.; Boels, K. |
Title |
Catalytic Nox reduction with simultaneous dioxin and furan oxidation |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Chemosphere |
Abbreviated Journal |
Chemosphere |
Volume |
54 |
Issue |
9 |
Pages |
1357-1365 |
Keywords |
A1 Journal article |
Abstract ![sorted by Abstract field, descending order (down)](img/sort_desc.gif) |
The engineering, construction, performance and running costs of a catalytic flue gas cleaning component in the low dust area of a municipal waste incinerator is discussed. For this purpose, the case study of a Flemish incineration plant is presented, covering the history, the design procedure of the catalyst, relevant process data and the financial aspects. A reliable PCDD/F-destruction by means of oxidation by the catalyst to typical values of 0.001 ng TEQ/Nm3 has been demonstrated. At the same time, NOx− and CO-emissions are reduced by 90% and 20% to about 50 mg/Nm3 and below 10 mg/Nm3, respectively. |
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Place of Publication |
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Language |
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Wos |
000188293500011 |
Publication Date |
2003-12-02 |
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 |
0045-6535; 1879-1298 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
Impact Factor |
4.208 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.208; 2004 IF: 2.359 |
Call Number |
UA @ admin @ c:irua:82011 |
Serial |
5931 |
Permanent link to this record |