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Author Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y.
Title Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications Type A1 Journal article
Year 2017 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 50 Issue 39 Pages 395204
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al's derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto's electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000410390100001 Publication Date 2017-07-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.588 Times cited 3 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.588
Call Number UA @ lucian @ c:irua:145603 Serial 4754
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Author Pauwels, D.; Geboes, B.; Hereijgers, J.; Choukroun, D.; De Wael, K.; Breugelmans, T.
Title The application of an electrochemical microflow reactor for the electrosynthetic aldol reaction of acetone to diacetone alcohol Type A1 Journal article
Year 2017 Publication Chemical engineering research and design Abbreviated Journal Chem Eng Res Des
Volume 128 Issue Pages 205-213
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Applied Electrochemistry & Catalysis (ELCAT)
Abstract The design and application of an electrochemical micro-flow reactor for the aldol reaction of acetone to diacetone alcohol (DAA) is reported. The modular reactor could be readily disassembled and reassembled to change the electrodes, incorporate a membrane and remove possible obstructions. The productivity and efficiency was quantified. Using a platinum deposit as electrocatalyst or an inert glassy carbon electrode as working electrode, the maximum obtainable equilibrium concentration of ±15 m% was reached after a single pass up to a flow rate of 8 ml min−1, yielding 0.57 g min−1 DAA (3.46 mmol cm−3 min−1) at an efficiency of 0.33 g C−1 on platinum and 0.50 g min−1 (3.04 mmol cm−3 min−1) at 1.20 g C−1 on glassy carbon. Note that no optimisation studies have been made in the present paper.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424736500018 Publication Date 2017-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0263-8762 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.538 Times cited 2 Open Access
Notes ; The authors would like to thank Bert De Mot for assisting with the measurements. Jonas Hereijgers greatly acknowledges the Research Foundation – Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). ; Approved Most recent IF: 2.538
Call Number UA @ admin @ c:irua:146943 Serial 5871
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Author Rozova, M.G.; Grigoriev, V.V.; Tyablikov, O.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Antipov, E.V.; Abakumov, A.M.
Title Doping of Bi4Fe5O13F with pentagonal Cairo lattice with Cr and Mn: Synthesis, structure and magnetic properties Type A1 Journal article
Year 2017 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
Volume 87 Issue 87 Pages 54-60
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The substitution of Cr3+ and Mn3+ for Fe3+ in the Bi4Fe6O13F oxyfluoride featuring the magnetically frustrated pentagonal Cairo lattice is reported. Bi4Fe4.1Cr0.9O13F and BiFe4.2Mn0.8O13F have been prepared using a solid state reaction in inert atmosphere. Their crystal structures were studied with transmission electron microscopy, powder X-ray diffraction and Fe-57 Mossbauer spectroscopy (S.G. P4(2)/mbc, a = 8.27836(2)angstrom, c = 18.00330(9) angstrom, R-F = 0.031 (Bi4Fe4.1Cr0.9O13F)), a= 8.29535(3)angstrom, c= 18.0060(1)angstrom, R-F = 0.027 (Bi4Fe4.1Cr0.9O13F)). The structures are formed by infinite rutile-like chains of the edge sharing BO6 octahedra (B transition metal cations) linked by the Fe2O7 groups of two corner-sharing tetrahedra. The"voids in thus formed framework are occupied by the Bi4F tetrahedra. The Fe-57 Mossbauer spectroscopy reveals that Cr3+ and Mn3+ replace Fe3+. exclusively at the octahedral positions. The Mn- and Cr-doped compounds demonstrate antiferromagnetic ordering below T-N =165 K and 120 K, respectively. (C) 2016 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000392681800009 Publication Date 2016-11-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0025-5408 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.446 Times cited 1 Open Access Not_Open_Access
Notes ; The work has been supported by the Russian Science Foundation (grant 14-13-00680). ; Approved Most recent IF: 2.446
Call Number UA @ lucian @ c:irua:141535 Serial 4498
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Author Torfs, E.; Vajs, J.; Bidart de Macedo, M.; Cools, F.; Vanhoutte, B.; Gorbanev, Y.; Bogaerts, A.; Verschaeve, L.; Caljon, G.; Maes, L.; Delputte, P.; Cos, P.; Komrlj, J.; Cappoen, D.
Title Synthesis and in vitro investigation of halogenated 1,3-bis(4-nitrophenyl)triazenide salts as antitubercular compounds Type A1 Journal article
Year 2017 Publication Chemical biology and drug design Abbreviated Journal Chem Biol Drug Des
Volume Issue Pages 1-10
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The diverse pharmacological properties of the diaryltriazenes have sparked the interest to investigate their potential to be repurposed as antitubercular drug candidates. In an attempt to improve the antitubercular activity of a previously constructed diaryltriazene library, eight new halogenated nitroaromatic triazenides were synthesized and underwent biological evaluation. The potency of the series was confirmed against the Mycobacterium tuberculosis lab strain H37Ra, and for the most potent derivative, we observed a minimal inhibitory concentration of 0.85 μm. The potency of the triazenide derivatives against M. tuberculosis H37Ra was found to be highly dependent on the nature of the halogenated phenyl substituent and less dependent on cationic species used for the preparation of the salts. Although the inhibitory concentration against J774A.1 macrophages was observed at 3.08 μm, the cellular toxicity was not mediated by the generation of nitroxide intermediate as confirmed by electron paramagnetic resonance spectroscopy, whereas no in vitro mutagenicity could be observed for the new halogenated nitroaromatic triazenides when a trifluoromethyl substituent was present on both the aryl moieties.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000422952300027 Publication Date 2017-08-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1747-0277; 1747-0285; 1397-002x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.396 Times cited 5 Open Access OpenAccess
Notes Approved Most recent IF: 2.396
Call Number UA @ lucian @ c:irua:147182 Serial 4794
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Author Yang, W.; Misko, V.R.; Tempère, J.; Kong, M.; Peeters, F.M.
Title Artificial living crystals in confined environment Type A1 Journal article
Year 2017 Publication Physical Review E Abbreviated Journal Phys Rev E
Volume 95 Issue 6 Pages 062602
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Similar to the spontaneous formation of colonies of bacteria, flocks of birds, or schools of fish, “living crystals” can be formed by artificial self-propelled particles such as Janus colloids. Unlike usual solids, these “crystals” are far from thermodynamic equilibrium. They fluctuate in time forming a crystalline structure, breaking apart and re-forming again. We propose a method to stabilize living crystals by applying a weak confinement potential that does not suppress the ability of the particles to perform self-propelled motion, but it stabilizes the structure and shape of the dynamical clusters. This gives rise to such configurations of living crystals as “living shells” formed by Janus colloids. Moreover, the shape of the stable living clusters can be controlled by tuning the potential strength. Our proposal can be verified experimentally with either artificial microswimmers such as Janus colloids, or with living active matter.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402667600006 Publication Date 2017-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2470-0045;2470-0053; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.366 Times cited 10 Open Access
Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Research Foundation (FWO-Vl) (Belgium), the Flemish Research Foundation (through Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N), and the Research Fund of the University of Antwerp. W.Y. acknowledges the support from the National Natural Science Foundation of China under Grants No. 11204199 and No. 51135007, the China Scholarship Council, the 131 project and the Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi, and a project under Grant No. 2016-096 by Shanxi Scholarship Council of China. ; Approved Most recent IF: 2.366
Call Number UA @ lucian @ c:irua:144205 Serial 4641
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Author Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P.
Title Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions Type A1 Journal article
Year 2017 Publication Physical review E Abbreviated Journal Phys Rev E
Volume 96 Issue 1 Pages 012603
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405713900014 Publication Date 2017-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2470-0045;2470-0053; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.366 Times cited 8 Open Access
Notes ; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 2.366
Call Number UA @ lucian @ c:irua:145210 Serial 4723
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Author Zebrowski, D.P.; Peeters, F.M.; Szafran, B.
Title Driven spin transitions in fluorinated single- and bilayer-graphene quantum dots Type A1 Journal article
Year 2017 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech
Volume 32 Issue 6 Pages 065016
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Spin transitions driven by a periodically varying electric potential in dilute fluorinated graphene quantum dots are investigated. Flakes of monolayer graphene as well as electrostatic electron traps induced in bilayer graphene are considered. The stationary states obtained within the tight-binding approach are used as the basis for description of the system dynamics. The dilute fluorination of the top layer lifts the valley degeneracy of the confined states and attenuates the orbital magnetic dipole moments due to current circulation within the flake. The spin-orbit coupling introduced by the surface deformation of the top layer induced by the adatoms allows the spin flips to be driven by the AC electric field. For the bilayer quantum dots the spin flip times is substantially shorter than the spin relaxation. Dynamical effects including many-photon and multilevel transitions are also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000402405800007 Publication Date 2017-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0268-1242 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 2.305 Times cited Open Access
Notes ; This work was supported by the National Science Centre according to decision DEC-2013/11/B/ST3/03837 and by the Flemish Science Foundation (FWO-VL). ; Approved Most recent IF: 2.305
Call Number UA @ lucian @ c:irua:144238 Serial 4646
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Author Ben Hafsia, A.; Hendrickx, M.; Batuk, M.; Khitouni, M.; Hadermann, J.; Greneche, J.-M.; Rammeh, N.
Title Crystal structure study of manganese and titanium substituted BaLaFe2O6-δ Type A1 Journal article
Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 251 Issue 251 Pages 186-193
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Barium lanthanum ferrite and four Mn/Ti substituted materials were synthesized by the sol-gel method. The crystal structure of the materials was studied by a combination of X-ray powder diffraction, electron diffraction, scanning transmission electron microscopy and 57Fe Mössbauer spectrometry. BaLaFe2O6-δ has a cubic perovskite structure and Ba0.7La1.3FeMnO6-δ is distorted perovskite with the R-3c symmetry, both from electron diffraction and X-ray powder diffraction. However, according to transmission electron microscopy, the crystals of BaLaFeTiO6-δ, BaLaFeTi0.5Mn0.5O6-δ, and BaLaFe0.5Ti0.5MnO6-δ consist of nanodomains with different symmetries (Pm3m next to R-3c due to octahedral tilts), whereas the bulk X-ray powder diffraction patterns for these compounds correspond to the simple cubic structure. 57Fe Mössbauer spectrometry confirms that all materials contain high spin state Fe3+ ions which are strongly influenced by the chemical disorder

resulting from various cationic environments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402581200024 Publication Date 2017-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.299 Times cited Open Access Not_Open_Access
Notes This study has been supported by the Tunisian Ministry of Higher Education and Scientific Research and by the University of Antwerp BOF Grant 33024 funding scheme. Approved Most recent IF: 2.299
Call Number EMAT @ emat @ c:irua:143988 Serial 4582
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Author Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J.
Title Ferrimagnetism as a consequence of cation ordering in the perovskite LaSr2Cr2SbO9 Type A1 Journal article
Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 248 Issue Pages 96-103
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A polycrystalline sample of LaSr2Cr2SbO9 has been synthesised using a standard ceramic method and characterized by x-ray and neutron diffraction, magnetometry and electron microscopy. The perovskite-related compound crystallises in the triclinic space group I1 with unit cell parameters of a=5.5344(6) angstrom, b=5.5562(5) angstrom, c=7.8292(7) angstrom, a=89.986(12)degrees, beta=90.350(5)degrees and gamma=89.926(9)degrees at room temperature. The two crystallographically-distinct, six-coordinate cation sites are occupied by Cr3+ and Sb5+ in ratios of 0.868(2):0.132(2) and 0.462(2):0.538(2). Ac and de magnetometry revealed that LaSr2Cr2SbO9 is ferrimagnetic below 150 K with a magnetisation of similar to 1.25 mu(B) per formula unit in 50 kOe at 5 K. Neutron diffraction showed that the cations on the two sites order in a G-type arrangement with a mean Cr3+ moment of 2.17(1) mu(B) at 5 K, consistent with a magnetisation of 1.32 mu(B) per formula unit.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000396386300012 Publication Date 2017-01-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.299 Times cited 14 Open Access Not_Open_Access
Notes ; Experiments at the ISIS Pulsed Neutron and Muon Source were supported by the STFC. We are grateful to I. da Silva for the assistance provided at ISIS and to the EPSRC for financial support under Grant EP/M018954/1. We also thank Diamond Light Source Ltd (EE13284) for the award of beamtime. ; Approved Most recent IF: 2.299
Call Number UA @ lucian @ c:irua:142413 Serial 4657
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Author Chin, C.-M.; Sena, R.P.; Hunter, E.C.; Hadermann, J.; Battle, P.D.
Title Interplay of structural chemistry and magnetism in perovskites : a study of CaLn2Ni2WO9: Ln=La, Pr, Nd Type A1 Journal article
Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 251 Issue Pages 224-232
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline samples of CaLn(2)Ni(2)WO(9) (Ln=La, Pr, Nd) have been synthesized and characterised by a combination of X-ray and neutron diffraction, electron microscopy and magnetometry. Each composition adopts a perovskite-like structure with a similar to 5.50, b similar to 5.56, c similar to 7.78 angstrom beta similar to 90.1 degrees in space group P2(1)/n. Of the two crystallographically distinct six-coordinate sites, one is occupied entirely (Ln=Pr) or predominantly (Ln=La, Nd) by Ni2+ and the other by Ni2+ and W6+ in a ratio of approximately 1:2. None of the compounds shows long-range magnetic order at 5 K. The magnetometry data show that the magnetic moments of the Ni2+ cations form a spin glass below 30 K in each case. The Pr3+ moments in CaPr2Ni2WO9 also freeze but the Nd3+ moments in CaNd2Ni2WO9 do not. This behaviour is contrasted with that observed in other (A,A')B2B'O-9 perovskites.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000402581200030 Publication Date 2017-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.299 Times cited 5 Open Access OpenAccess
Notes ; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful to Ivan da Silva who provided experimental assistance at ISIS and to Maria Batuk for help with the STEM-EDX analysis. ; Approved Most recent IF: 2.299
Call Number UA @ lucian @ c:irua:144179 Serial 4664
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Author Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C.
Title Magnetic properties of the 6H perovskite Ba3Fe2TeO9 Type A1 Journal article
Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 253 Issue Pages 347-354
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000406572600047 Publication Date 2017-06-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.299 Times cited 6 Open Access OpenAccess
Notes ; We thank EPSRC for financial support through grant EP/M018954/1. ; Approved Most recent IF: 2.299
Call Number UA @ lucian @ c:irua:145692 Serial 4743
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Author Bogaerts, A.; Ameye, L.; Bijlholt, M.; Amuli, K.; Heynickx, D.; Devlieger, R.
Title INTER-ACT : prevention of pregnancy complications through an e-health driven interpregnancy lifestyle intervention: study protocol of a multicentre randomised controlled trial Type A1 Journal article
Year 2017 Publication BMC pregnancy and childbirth Abbreviated Journal Bmc Pregnancy Childb
Volume 17 Issue Pages 154
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Centre for Research and Innovation in Care (CRIC)
Abstract Background Excessive maternal pre-pregnancy and gestational weight gain are related to pregnancy- and birth outcomes. The interpregnancy time window offers a unique opportunity to intervene in order to acquire a healthy lifestyle before the start of a new pregnancy. Methods INTER-ACT is an e-health driven multicentre randomised controlled intervention trial targeting women at high risk of pregnancy- and birth related complications. Eligible women are recruited for the study at day 2 or 3 postpartum. At week 6 postpartum, participants are randomised into the intervention or control arm of the study. The intervention focuses on weight, diet, physical activity and mental well-being, and comprises face-to-face coaching, in which behavioural change techniques are central, and use of a mobile application, which is Bluetooth-connected to a weighing scale and activity tracker. The intervention is rolled out postpartum (4 coaching sessions between week 6 and month 6) and in a new pregnancy (3 coaching sessions, one in each trimester of pregnancy); the mobile app is used throughout the two intervention phases. Data collection includes data from the medical record of the participants (pregnancy outcomes and medical history), anthropometric data (height, weight, waist- and hip circumferences, skinfold thickness and body composition by bio-electrical impedance analysis), data from the mobile app (physical activity and weight; intervention group only) and questionnaires (socio-demographics, breastfeeding, food intake, physical activity, lifestyle, psychosocial factors and process evaluation). Medical record data are collected at inclusion and at delivery of the subsequent pregnancy. All other data are collected at week 6 and month 6 postpartum and every subsequent 6 months until a new pregnancy, and in every trimester in the new pregnancy. Primary outcome is the composite endpoint score of pregnancy-induced hypertension, gestational diabetes mellitus, caesarean section, and large-for-gestational-age infant in the subsequent pregnancy.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000402116300002 Publication Date 2017-05-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1471-2393 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.263 Times cited 4 Open Access OpenAccess
Notes Approved Most recent IF: 2.263
Call Number UA @ lucian @ c:irua:143234 Serial 4663
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Author Jorli, M.; Van Passel, S.; Sadeghi, H.; Nasseri, A.; Agheli, L.
Title Estimating human health impacts and costs due to Iranian fossil fuel power plant emissions through the impact pathway approach Type A1 Journal article
Year 2017 Publication Energies Abbreviated Journal Energies
Volume 10 Issue 12 Pages 2136-29
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Air pollutants from fossil fuel fired power plants harm the environment and human health. More than 91% of Irans electricity production is from thermal power plants that use natural gas, diesel, and fuel oil. We apply the impact pathway approach to estimate the health impacts arising from Iranian fossil-based electricity generation emission, and in a next step, we calculate monetary costs of the estimated damages, for a one-year period starting from 20 March 2016 through 2017. We use the new version of SIMPACTS (International Atomic Energy Agency, Vienna, Austria) to investigate the health effects from 61 major Iran fossil-based power plants separately. The selected plants represent 95.6% of total Iran fossil-based power generation. Using the individual and different power plant estimates, we avoid extrapolation and our results can be considered more reliable, taking into account spatial differences. The total damage cost is 723.42 million USD (2000). The damage cost per generated electricity varies from 0.06 to 22.41 USD/MWh and average plant damage cost is 2.85 USD/MWh. Accounting for these external costs indicates the actual costs of fossil energy. The results are useful for policy makers to compare the health costs from these plants and to decide on cleaner energy sources and to take measures to increase benefits for society.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000423156900207 Publication Date 2017-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1996-1073 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.262 Times cited 4 Open Access
Notes ; ; Approved Most recent IF: 2.262
Call Number UA @ admin @ c:irua:149041 Serial 6200
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Author Magnus, W.; Lemmens, L.; Brosens, F.
Title Quantum canonical ensemble : a projection operator approach Type A1 Journal article
Year 2017 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A
Volume 482 Issue Pages 1-13
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function Z(N) and the Helmholtz free energy F-N as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 – F-N, as illustrated for a two-dimensional fermion gas. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000405885500001 Publication Date 2017-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-4371 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.243 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 2.243
Call Number UA @ lucian @ c:irua:145145 Serial 4722
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Author Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H.
Title Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity Type A1 Journal article
Year 2017 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 186 Issue 186 Pages 353-364
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000390621200044 Publication Date 2016-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.084 Times cited 17 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.084
Call Number UA @ lucian @ c:irua:140333 Serial 4465
Permanent link to this record
 

 
Author Dutta, S.; Sankaran, K.; Moors, K.; Pourtois, G.; Van Elshocht, S.; Bommels, J.; Vandervorst, W.; Tokei, Z.; Adelmann, C.
Title Thickness dependence of the resistivity of platinum-group metal thin films Type A1 Journal article
Year 2017 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 122 Issue 2 Pages 025107
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We report on the thin film resistivity of several platinum-group metals (Ru, Pd, Ir, and Pt). Platinum-group thin films show comparable or lower resistivities than Cu for film thicknesses below about 5 nm due to a weaker thickness dependence of the resistivity. Based on experimentally determined mean linear distances between grain boundaries as well as ab initio calculations of the electron mean free path, the data for Ru, Ir, and Cu were modeled within the semiclassical Mayadas-Shatzkes model [Phys. Rev. B 1, 1382 (1970)] to assess the combined contributions of surface and grain boundary scattering to the resistivity. For Ru, the modeling results indicated that surface scattering was strongly dependent on the surrounding material with nearly specular scattering at interfaces with SiO2 or air but with diffuse scattering at interfaces with TaN. The dependence of the thin film resistivity on the mean free path is also discussed within the Mayadas-Shatzkes model in consideration of the experimental findings. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000405663800038 Publication Date 2017-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 42 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:145213 Serial 4729
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Author Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A.
Title Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings Type A1 Journal article
Year 2017 Publication Journal of wind engineering and industrial aerodynamics Abbreviated Journal J Wind Eng Ind Aerod
Volume 167 Issue Pages 160-182
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000405766600013 Publication Date 2017-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.049 Times cited 9 Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 2.049
Call Number UA @ lucian @ c:irua:145191 Serial 4713
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Author Lambrinou, K.; Charalampopoulou, E.; Van der Donck, T.; Delville, R.; Schryvers, D.
Title Dissolution corrosion of 316L austenitic stainless steels in contact with static liquid lead-bismuth eutectic (LBE) at 500 °C Type A1 Journal article
Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
Volume 490 Issue 490 Pages 9-27
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This work addresses the dissolution corrosion behaviour of 316L austenitic stainless steels. For this purpose, solution-annealed and cold-deformed 316L steels were simultaneously exposed to oxygen-poor (<10-8 mass%) static liquid lead-bismuth eutectic (LBE) for 253e3282 h at 500 °C. Corrosion was consistently more severe for the cold-drawn steels than the solution-annealed steel, indicating the importance of the steel thermomechanical state. The thickness of the dissolution-affected zone was nonuniform, and sites of locally-enhanced dissolution were occasionally observed. The progress of LBE dissolution attack was promoted by the interplay of certain steel microstructural features (grain boundaries, deformation twin laths, precipitates) with the dissolution corrosion process. The identified dissolution mechanisms were selective leaching leading to steel ferritization, and non-selective leaching; the latter was mainly observed in the solution-annealed steel. The maximum corrosion rate decreased with exposure time and was found to be inversely proportional to the depth of dissolution attack.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403132300002 Publication Date 2017-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.048 Times cited 24 Open Access OpenAccess
Notes The authors would like to acknowledge the following 316L stainless steel suppliers: Industeel, ArcelorMittal Group, for the 316LSA plate procured and characterised in the FP6 EUROTRANSDEMETRA project (Contract no. FI6W-CT-2004-516520); OLARRA Aceros Inoxidables, Spain, for the 316LH1 rod; and SIDERO STAAL nv, Belgium, for the 316LH2 rod. K. Lambrinou would like to thank J. Joris for technical support during the launching and follow up of all corrosion tests, J. Lim for the manufacturing and calibration of the oxygen sensors used in these tests, T. Lapauw for the XRD measurements on the pristine steels, and S. Van den Broeck for the FIB sample preparation. Special thanks to S. Gavrilov for fruitful and intense discussions. The authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). Approved Most recent IF: 2.048
Call Number EMAT @ emat @ c:irua:142644 Serial 4563
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Author Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M.
Title Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes Type A1 Journal article
Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
Volume 493 Issue Pages 154-167
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This paper presents a large database of thermal creep data from pressurized unirradiated DIN 1.4970 Ti-stabilized austenitic stainless steel (i.e. EN 1515CrNiMoTiB or “15-15Ti”) cladding tubes from more than 1000 bi-axial creep tests conducted during the fast reactor R&D program of the DeBeNe (Deutschland-Belgium- Netherlands) consortium between the 1960's to the late 1980's. The data comprises creep rate and time-to-rupture between 600 and 750 degrees C and a large range of stresses. The data spans tests on material from around 70 different heats and 30 different melts. Around one fourth of the data was obtained from cold worked material, the rest was obtained on cold worked + aged (800 degrees C, 2 h) material. The data are graphically presented in log-log graphs. The creep rate data is fit with a sinh correlation, the time to rupture data is fit with a modified exponential function through the Larson-Miller parameter. Local equivalent parameters to Norton's law are calculated and compared to literature values for these types of steels and related to possible creep mechanisms. Some time to rupture data above 950 degrees C is compared to literature dynamic recrystallization data. Time to rupture data between 600 and 750 degrees C is also compared to literature data from 316 steel. Time to rupture was correlated directly to creep rate with the Monkman-Grant relationship at different temperatures. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000408044000018 Publication Date 2017-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.048 Times cited 5 Open Access OpenAccess
Notes ; ; Approved Most recent IF: 2.048
Call Number UA @ lucian @ c:irua:145686 Serial 4753
Permanent link to this record
 

 
Author Samaeeaghmiyoni, V.; Idrissi, H.; Groten, J.; Schwaiger, R.; Schryvers, D.
Title Quantitative in-situ TEM nanotensile testing of single crystal Ni facilitated by a new sample preparation approach Type A1 Journal article
Year 2017 Publication Micron Abbreviated Journal Micron
Volume 94 Issue 94 Pages 66-73
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Twin-jet electro-polishing and Focused Ion Beam (FIB) were combined to produce small size Nickel single crystal specimens for quantitative in-situ nanotensile experiments in the transmission electron microscope. The combination of these techniques allows producing samples with nearly defect-free zones in the centre in contrast to conventional FIB-prepared samples. Since TEM investigations can be performed on the electro-polished samples prior to in-situ TEM straining, specimens with desired crystallographic orientation and initial microstructure can be prepared. The present results reveal a dislocation nucleation controlled plasticity, in which small loops induced by FIB near the edges of the samples play a central role.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393247300008 Publication Date 2016-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.98 Times cited 11 Open Access OpenAccess
Notes This research has been performed with the financial support of the Belgian Science Policy (Belspo) under the framework of the interuniversity attraction poles program, IAP7/21. Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13N and SCHW855/5-1, respectively, is gratefully acknowledged. V. Samaeeaghmiyoni also acknowledges the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H. Idrissi is currently mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). Approved Most recent IF: 1.98
Call Number EMAT @ emat @ c:irua:139515 Serial 4341
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Author Altantzis, T.; Zanaga, D.; Bals, S.
Title Advanced electron tomography of nanoparticle assemblies Type A1 Journal article
Year 2017 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 119 Issue 119 Pages 38001
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanoparticle assemblies have attracted enormous scientific interest during the last

years, due to their unique properties compared to those of their building blocks. To understand

the origin of these properties and to establish the connection with their structure, a detailed and

quantitative structural characterization is essential. Transmission electron microscopy has been

widely used to investigate nano-assemblies. However, TEM images only correspond to a twodimensional

projection of a three-dimensional object. Therefore, in order to obtain the necessary

3D structural information electron tomography has to be applied. By means of advanced electron

tomography, both qualitative and quantitative information can be obtained, which can be used

for detailed theoretical studies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000415019400023 Publication Date 2017-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.957 Times cited 8 Open Access OpenAccess
Notes We would like to thank the colleagues who have contributed to this work over the years, including L. M. Liz- Marzan, M. Grzelczak, A. Sanchez-Iglesias, D. Vanmaekelbergh, M. P. Boneschanscher, W. H. Evers, J. J. Geuchies, B. Goris, A. de Backer, S. van Aert, M.-P. Pileni, Z. Yang, K. J. Batenburg, J. Sijbers, F. Bleichrodt, W. J. Palenstijn, A. van Blaaderen, M. A. van Huis, F. M. Peeters, N. Winckelmans and D. Wang. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.0381.16N, G.036915 G.0374.13 and funding of a postdoctoral grant to TA). SB and DZ acknowledge funding from the European Research Council, ERC grant No. 335078 – Colouratom. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 1.957
Call Number EMAT @ emat @c:irua:146096UA @ admin @ c:irua:146096 Serial 4733
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Author Grieten, E.; Schalm, O.; Tack, P.; Bauters, S.; Storme, P.; Gauquelin, N.; Caen, J.; Patelli, A.; Vincze, L.; Schryvers, D.
Title Reclaiming the image of daguerreotypes: Characterization of the corroded surface before and after atmospheric plasma treatment Type A1 Journal article
Year 2017 Publication Journal of cultural heritage Abbreviated Journal J Cult Herit
Volume Issue Pages
Keywords A1 Journal article; Art; History; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Technological developments such as atmospheric plasma jets for industry can be adapted for the conservation of cultural heritage. This application might offer a potential method for the removal or transformation of the corrosion on historical photographs. We focus on daguerreotypes and present an in-depth study of the induced changes by a multi-analytical approach using optical microscopy, scanning electron microscopy, different types of transmission electron microscopy and X-ray absorption fine structure. The H2-He afterglow removes S from an Ag2S or Cu2S layer which results in a nano-layer of metallic Ag or Cu on top of the deteriorated microstructure. In case the corrosion layer is composed of Cu-Ag-S compounds, our proposed setup can be used to partially remove the corrosion. These alterations of the corrosion results in an improvement in the readability of the photographic image.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000414230700007 Publication Date 2017-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.838 Times cited 9 Open Access Not_Open_Access
Notes The authors thank Herman Maes for the daguerreotypes used in this study. The authors also acknowledge the opportunity to perform XAFS measurements at the DUBBLE beamline of the ESRF storage ring under the approval of the advisory Committee (beam time nr. 26-01-990) and acknowledge the DUBBLE beamline staff for their support. They are also grateful for the financial support by the EU-FP7 grant PANNA no. 282998 and the STIMPRO project FFB150215 of the University of Antwerp. Pieter Tack is funded by a Ph.D. grant of the Agency for Innovation by Science and Technology (IWT). Approved Most recent IF: 1.838
Call Number EMAT @ emat @c:irua:144430 Serial 4625
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Author Schulenborg, J.; Di Marco, A.; Vanherck, J.; Wegewijs, M.R.; Splettstoesser, J.
Title Thermoelectrics of interacting nanosystems-exploiting superselection instead of time-reversal symmetry Type A1 Journal article
Year 2017 Publication Entropy: an international and interdisciplinary journal of entropy and information studies Abbreviated Journal Entropy-Switz
Volume 19 Issue 12 Pages 668
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Thermoelectric transport is traditionally analyzed using relations imposed by time-reversal symmetry, ranging from Onsager\u0027s results to fluctuation relations in counting statistics. In this paper, we show that a recently discovered duality relation for fermionic systems-deriving from the fundamental fermion-parity superselection principle of quantum many-particle systems-provides new insights into thermoelectric transport. Using a master equation, we analyze the stationary charge and heat currents through a weakly coupled, but strongly interacting single-level quantum dot subject to electrical and thermal bias. In linear transport, the fermion-parity duality shows that features of thermoelectric response coefficients are actually dominated by the average and fluctuations of the charge in a dual quantum dot system, governed by attractive instead of repulsive electron-electron interaction. In the nonlinear regime, the duality furthermore relates most transport coefficients to much better understood equilibrium quantities. Finally, we naturally identify the fermion-parity as the part of the Coulomb interaction relevant for both the linear and nonlinear Fourier heat. Altogether, our findings hence reveal that next to time-reversal, the duality imposes equally important symmetry restrictions on thermoelectric transport. As such, it is also expected to simplify computations and clarify the physical understanding for more complex systems than the simplest relevant interacting nanostructure model studied here.'));
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000419007900037 Publication Date 2017-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1099-4300 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.821 Times cited 3 Open Access
Notes ; We thank Rafael Sanchez for useful comments on the manuscript. We acknowledge funding from the Knut and Alice Wallenberg foundation through their Academy Fellows program (J.Sp. and A.D.M.), from the Swedish VR (J.Sp. and J.Sc.), from the Erasmus Mundus program (J.V.), and from the DFG project SCHO 641/7-1 (M.R.W.). ; Approved Most recent IF: 1.821
Call Number UA @ lucian @ c:irua:148548 Serial 4900
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Author Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C.
Title The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes Type A1 Journal article
Year 2017 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 687 Issue Pages 188-193
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000412453700030 Publication Date 2017-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.815 Times cited 2 Open Access Not_Open_Access: Available from 01.11.2019
Notes ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; Approved Most recent IF: 1.815
Call Number UA @ lucian @ c:irua:146646 Serial 4795
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Author Moors, K.; Sorée, B.; Magnus, W.
Title Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering Type A1 Journal article
Year 2017 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng
Volume 167 Issue 167 Pages 37-41
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000390746000008 Publication Date 2016-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-9317 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.806 Times cited 6 Open Access
Notes ; ; Approved Most recent IF: 1.806
Call Number UA @ lucian @ c:irua:140354 Serial 4460
Permanent link to this record
 

 
Author de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P.
Title Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects Type A1 Journal article
Year 2017 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 214 Issue 6 Pages 1600889
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The amorphous oxide semiconductor Indium-Gallium-Zinc-Oxide (a-IGZO) has gained a large technological relevance as a semiconductor for thin-film transistors in active-matrix displays. Yet, major questions remain unanswered regarding the atomic origin of threshold voltage control, doping level, hysteresis, negative bias stress (NBS), and negative bias illumination stress (NBIS). We undertake a systematic study of the effects of oxygen vacancies on the properties of a-IGZO by relating experimental observations to microscopic insights gained from first-principle simulations. It is found that the amorphous nature of the semiconductor allows unusually large atomic relaxations. In some cases, oxygen vacancies are found to behave as perfect shallow donors without the formation of structural defects. Once structural defects are formed, their transition states can vary upon charge and discharge cycles. We associate this phenomenon to a possible presence of hysteresis in the transfer curve of the devices. Under NBS, the creation of oxygen vacancies becomes energetically very stable, hence thermodynamically very likely. This generation process is correlated with the occurrence of the negative bias stress instabilities observed in a-IGZO transistors. While oxygen vacancies can therefore be related to NBS and hysteresis, it appears unlikely from our results that they are direct causes of NBIS, contrary to common belief.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403339900012 Publication Date 2017-03-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6300 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.775 Times cited 8 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.775
Call Number UA @ lucian @ c:irua:144219 Serial 4678
Permanent link to this record
 

 
Author Bal, K.M.; Cautereels, J.; Blockhuys, F.
Title Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 Type A1 Journal article
Year 2017 Publication Journal of molecular structure Abbreviated Journal J Mol Struct
Volume 1132 Issue Pages 102-108
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000393254400015 Publication Date 2016-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2860 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 1.753 Times cited Open Access Not_Open_Access: Available from 03.10.2019
Notes Approved Most recent IF: 1.753
Call Number UA @ lucian @ c:irua:145533 Serial 4726
Permanent link to this record
 

 
Author Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S.
Title Study of positive and negative plasma catalytic oxidation of ethylene Type A1 Journal article
Year 2017 Publication Environmental technology Abbreviated Journal Environ Technol
Volume 38 Issue 12 Pages 1554-1561
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The effect of introducing a photocatalytically active coating inside a plasma unit is investigated. This technique combines the advantages of high product selectivity from catalysis and the fast start-up from plasma technology. In this study, a preselected TiO2 coating is applied on the collector electrode of a DC corona discharge unit as non-thermal plasma reactor, in order to study the oxidation of ethylene. For both positive and negative polarities an enhanced mineralization is observed while the formation of by-products drastically decreases. The plasma catalytic unit gave the best results when using negative polarity at a voltage of 15kV. This shows the potential of plasma catalysis as indoor air purification technology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402018900010 Publication Date 2016-10-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-3330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.751 Times cited 1 Open Access
Notes ; The authors wish to thank the University of Antwerp for supporting and funding this research. ; Approved Most recent IF: 1.751
Call Number UA @ admin @ c:irua:144351 Serial 5993
Permanent link to this record
 

 
Author Lu, J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D.
Title Internal architecture of coffin-shaped ZSM-5 zeolite crystals with hourglass contrast unravelled by focused ion beam-assisted transmission electron microscopy: INTERNAL ARCHITECTURE OF COFFIN-SHAPED Type A1 Journal article
Year 2017 Publication Journal of microscopy Abbreviated Journal J Microsc-Oxford
Volume 265 Issue 265 Pages 27-33
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Optical microscopy, focused ion beam and transmission electron microscopy are combined to study the internal architecture in a coffin-shaped ZSM-5 crystal showing an hourglass contrast in optical microscopy. Based on parallel lamellas from different positions in the crystal, the orientation relationships between the intergrowth components of the crystal are studied and the internal architecture and growth mechanism are illustrated. The crystal is found to contain two pyramid-like components aside from a central component. Both pyramid-like components are rotated by 90 degrees along the common c-axis and with respect to the central component while the interfaces between the components show local zig-zag feature, the latter indicating variations in relative growth velocity of the two components. The pyramid-like intergrowth components are larger and come closer to one another in the middle of the crystal than at the edges, but they do not connect. A model of multisite nucleation and growth of 90 degrees intergrowth components is proposed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000392487400004 Publication Date 2016-08-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.692 Times cited 4 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G.0603.10N ; Approved Most recent IF: 1.692
Call Number EMAT @ emat @ c:irua:141015 Serial 4437
Permanent link to this record
 

 
Author Mehta, A.N.; Zhang, H.; Dabral, A.; Richard, O.; Favia, P.; Bender, H.; Delabie, A.; Caymax, M.; Houssa, M.; Pourtois, G.; Vandervorst, W.
Title Structural characterization of SnS crystals formed by chemical vapour deposition Type A1 Journal article
Year 2017 Publication Journal of microscopy T2 – 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND Abbreviated Journal J Microsc-Oxford
Volume 268 Issue 3 Pages 276-287
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.'));
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Corporate Author Thesis
Publisher Wiley Place of Publication Hoboken Editor
Language Wos 000415900300009 Publication Date 2017-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.692 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.692
Call Number UA @ lucian @ c:irua:147692 Serial 4898
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