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Author Rojas, C.M.; Otten, P.M.; Van Grieken, R.E.; Laane, R.
  Title Dry aerosol deposition over the North Sea estimated from aircraft measurements Type H3 Book chapter
  Year 1991 Publication Abbreviated Journal
  Volume Issue Pages (down) 419-425 T2 - Air pollution modeling and its applic
  Keywords H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:680 Serial 7826
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Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W.
  Title Structure and stability of Fe2 phases from density-functional theory calculations Type A1 Journal article
  Year 2010 Publication Scripta materialia Abbreviated Journal Scripta Mater
  Volume 63 Issue 4 Pages (down) 418-421
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Fe(2)C plays a crucial role in the precipitation of iron carbides. Jack's structural models for epsilon-Fe(2)C, and non-stoichiometric epsilon-Fe(2.4)C, are analyzed using first-principles calculations. Several new configurations of epsilon-Fe(2)C with even higher stability are found. We show how epsilon-Fe(2)C transforms into eta-Fe(2)C, and address the structural relationships with the chi-Fe(5)C(2), theta-Fe(3)C and Fe(7)C(3) phases. The relative occurrence of these phases in steel, as well as their probable evolution during tempering of quenched steels, is discussed. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000279496000017 Publication Date 2010-05-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.747 Times cited 32 Open Access
  Notes Approved Most recent IF: 3.747; 2010 IF: 2.820
  Call Number UA @ lucian @ c:irua:95591 Serial 3299
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Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
  Title Polaron correction to the D-center in a quantum well Type A1 Journal article
  Year 1993 Publication Physica: B : condensed matter Abbreviated Journal Physica B
  Volume 184 Issue Pages (down) 417-421
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1993KU62100082 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.319 Times cited 8 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:5740 Serial 2662
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Author Van Dael, M.; Lizin, S.; Swinnen, G.; Van Passel, S.
  Title Young people's acceptance of bioenergy and the influence of attitude strength on information provision Type A1 Journal article
  Year 2017 Publication Renewable Energy Abbreviated Journal Renew Energ
  Volume 107 Issue Pages (down) 417-430
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract This study investigated the effects of using a standardized PowerPoint lecture to provide young people with nuanced information about bioenergy. The studys aim was to understand the relationship between knowledge and participants perception of bioenergy, and the relationship of the latter to participants attitude strength and intention to use and learn about bioenergy. Data were collected from 715 participants using a survey instrument that contained mainly Likert-scale questions. Data were then processed using partial least squares structural equation modelling. Results show that providing such information increases knowledge about bioenergy, but does relatively little to create a more positive perception of bioenergy. In turn, having a more positive view about bioenergy would lead to a higher intention to use bioenergy. Attitude strength was found to mediate the previous relationship and decreases the strength of the relationship between perception and intention to use. Results also show that the lecture weakly contributed to building attitude strength, rendering opinion change less likely in the future. We conclude that listening to a lecture on bioenergy slightly improves peoples perception of bioenergy, makes it more likely that people maintain such a disposition, and translates into a slightly higher intention to use bioenergy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000396946900036 Publication Date 2017-02-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor 4.357 Times cited 10 Open Access
  Notes ; This work was supported by the Research Foundation Flanders (FWO; grant number 12G5415N). The authors gratefully acknowledge Sara Leroi-Werelds (Hasselt University) for her valuable comments. ; Approved Most recent IF: 4.357
  Call Number UA @ admin @ c:irua:140683 Serial 6280
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Author Vanderborght, B.M.; Van Grieken, R.E.
  Title Water analysis by spark-source mass-spectrometry after preconcentration on activated carbon Type A1 Journal article
  Year 1980 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 27 Issue 5 Pages (down) 417-422
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract For trace analyses of environmental waters, spark-source mass-spectrometry has been combined with a preconcentration procedure involving chelation of the dissolved trace elements with oxine and subsequent adsorption of the oxinates and naturally occurring organic and colloidal metal species onto activated carbon. The activated carbon is filtered off and ashed at low temperature. The residue is dissolved, an internal standard and pure graphite are added and, after drying, the electrodes are prepared. The photographically recorded mass spectrum is evaluated by a suitable computer routine. The error of the procedure is around 30%. While this preconcentration and analysis procedure is capable of measuring about 40 elements quantitatively, in practice 1025 trace elements are determined simultaneously above the 0.1-μg/l. detection limit, as is illustrated by analyses of drinking water, surface and ground water samples. Although a sophisticated technique, SSMS can be considered for regular panoramic survey analyses.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1980JR07800006 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-9140; 1873-3573 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:116557 Serial 8746
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Author Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title First-principles study of strained 2D MoS2 Type A1 Journal article
  Year 2014 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume 56 Issue Pages (down) 416-421
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000330815800070 Publication Date 2012-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.221 Times cited 72 Open Access
  Notes Approved Most recent IF: 2.221; 2014 IF: 2.000
  Call Number UA @ lucian @ c:irua:115761 Serial 1220
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Author Kuczumow, A.; Claes, M.; Schmeling, M.; Van Grieken, R.; de Gendt, S.
  Title Quantification problems in light element determination by grazing emission X-ray fluorescence Type A1 Journal article
  Year 2000 Publication Journal of analytical atomic spectrometry Abbreviated Journal
  Volume 15 Issue Pages (down) 415-421
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000086323700017 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0267-9477 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:27592 Serial 8437
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Author Mescia, L.; Chiapperino, M.A.; Bia, P.; Gielis, J.; Caratelli, D.
  Title Modeling of electroporation induced by pulsed electric fields in irregularly shaped cells Type A1 Journal article
  Year 2018 Publication IEEE transactions on biomedical engineering Abbreviated Journal
  Volume 65 Issue 2 Pages (down) 414-423
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract During the past decades, the poration of cell membrane induced by pulsed electric fields has been widely investigated. Since the basic mechanisms of this process have not yet been fully clarified, many research activities are focused on the development of suitable theoretical and numerical models. To this end, a nonlinear, nonlocal, dispersive, and space-time numerical algorithm has been developed and adopted to evaluate the transmembrane voltage and pore density along the perimeter of realistic irregularly shaped cells. The presented model is based on the Maxwell's equations and the asymptotic Smoluchowski's equation describing the pore dynamics. The dielectric dispersion of the media forming the cell has been modeled by using a general multirelaxation Debye-based formulation. The irregular shape of the cell is described by using the Gielis' superformula. Different test cases pertaining to red blood cells, muscular cells, cell in mitosis phase, and cancer-like cell have been investigated. For each type of cell, the influence of the relevant shape, the dielectric properties, and the external electric pulse characteristics on the electroporation process has been analyzed. The numerical results demonstrate that the proposed model is an efficient numerical tool to study the electroporation problem in arbitrary-shaped cells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000422914700018 Publication Date 2017-11-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0018-9294 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:148417 Serial 8264
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Author Martin, J.-M.; Thomas, A.J.; Van Grieken, R.E.
  Title Trace element composition of Zaire suspended sediments Type A1 Journal article
  Year 1978 Publication Netherlands journal of sea research Abbreviated Journal
  Volume 12 Issue 3/4 Pages (down) 414-420
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2003-08-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0077-7579; 1873-1406 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:116609 Serial 8688
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Author Janssens, K.; Vincze, L.; Vekemans, B.; Williams, C.T.; Radtke, M.; Haller, M.; Knöchel, A.
  Title The non-destructive determination of REE in fossilized bone using synchrotron radiation induced K-line X-ray microfluorescence analysis Type A1 Journal article
  Year 1999 Publication Fresenius' journal of analytical chemistry Abbreviated Journal
  Volume 363 Issue 4 Pages (down) 413-420
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The sensitivity and applicability of the synchrotron radiation induced X-ray microfluorescence (mu-SRXRF) spectrometer at the Hamburg synchrotron laboratory Hasylab for the determination of the distribution of trace concentrations of rare-earth elements (REE) in fossilized bone are discussed and critically compared to those of other trace analytical methods such as instrumental neutron activation analysis (INAA) and LAMP-ICPMS (laser ablation microprobe inductively-coupled plasma mass spectrometry). Measurements were carried out on two bone samples from contrasting terrestrial depositional environments at Olduvai Gorge (Tanzania). Results indicate that the microdistribution of the REE in these biological materials is not homogeneous and that the relative abundance of these elements can provide information on the palaeoenvironment during the fossilization process. The heterogeneous distribution of the REE can be determined in a quantitative and completely non-destructive manner provided the concentrations of individual REE are above 10 mu g/g.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000078895300015 Publication Date 2002-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0937-0633 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:103505 Serial 5747
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Author Fedotov, S.S.; Khasanova, N.R.; Samarin, A.S.; Drozhzhin, O.A.; Batuk, D.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
  Title AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries Type A1 Journal article
  Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 28 Issue 28 Pages (down) 411-415
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000368949900002 Publication Date 2016-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 46 Open Access
  Notes The authors kindly thank Dr. S. N. Putilin for XRD measurements, Dr. O. A. Shlyakhtin for the assistance in cryochemical synthesis, Ph.D. students A. A. Sadovnikov and E. A. Karpukhina for SEM imaging and FTIR spectra respectively. The work was partly supported by Russian Science Foundation (grant 16-19-00190), Skoltech Center for Electrochemical Energy Storage and Moscow State University Devel-opment Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. Approved Most recent IF: 9.466
  Call Number c:irua:131583 Serial 4001
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Author Du, C.; Hoefnagels, J.P.M.; Kolling, S.; Geers, M.G.D.; Sietsma, J.; Petrov, R.; Bliznuk, V.; Koenraad, P.M.; Schryvers, D.; Amin-Ahmadi, B.
  Title Martensite crystallography and chemistry in dual phase and fully martensitic steels Type A1 Journal article
  Year 2018 Publication Materials characterization Abbreviated Journal Mater Charact
  Volume 139 Issue Pages (down) 411-420
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Lath martensite is important in industry because it is the key strengthening component in many advanced high strength steels. The study of crystallography and chemistry of lath martensite is extensive in the literature, however, mostly based on fully martensitic steels. In this work, lath martensite in dual phase steels is investigated with a focus on the substructure identification of the martensite islands and microstructural bands using electron backscattered diffraction, and on the influence of the accompanied tempering process during industrial coating process on the distribution of alloying elements using atom probe tomography. Unlike findings for the fully martensitic steels, no martensite islands with all 24 Kurdjumov-Sachs variants have been observed. Almost all martensite islands contain only one main packet with all six variants and minor variants from the remaining three packets of the same prior austenite grain. Similarly, the martensite bands are typically composed of connected domains originating from prior austenite grains, each containing one main packets (mostly with all variants) and few separate variants. The effect of tempering at similar to 450 degrees C (due to the industrial zinc coating process) has also been investigated. The results show a strong carbon partitioning to lath boundaries and Cottrell atmospheres at dislocation core regions due to the thermal process of coating. In contrast, auto-tempering contributes to the carbon redistribution only in a limited manner. The substitutional elements are all homogenously distributed. The phase transformation process has two effects on the material: mechanically, the earlier-formed laths are larger and softer and therefore more ductile (as revealed by nanoindentation); chemically, due to the higher dislocation density inside the later-formed laths, which are generally smaller, carbon Cottrell atmospheres are predominantly observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York Editor
  Language Wos 000431469300044 Publication Date 2018-03-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.714 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.714
  Call Number UA @ lucian @ c:irua:151554 Serial 5033
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Author Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S.
  Title Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials Type A1 Journal article
  Year 2013 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
  Volume 222 Issue Pages (down) 411-418
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000319528900046 Publication Date 2013-03-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.216 Times cited 43 Open Access
  Notes ; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ; Approved Most recent IF: 6.216; 2013 IF: 4.058
  Call Number UA @ admin @ c:irua:106519 Serial 5979
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Author Stranger, M.; Potgieter-Vermaak, S.; Sacco, P.; Quaglio, F.; Pagani, D.; Cocheo, C.; Godoi, A.F.L.; Van Grieken, R.
  Title Analysis of indoor gaseous formic and acetic acid, using radial diffusive samplers Type A1 Journal article
  Year 2009 Publication Environmental monitoring and assessment Abbreviated Journal
  Volume 149 Issue Pages (down) 411-417
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A diffusive sampling method for the determination of gaseous acetic and formic acids, using a radial symmetry diffusive sampler, has been optimised for a 7-day exposure time in this study. Sampling rate determinations were performed on data obtained from a dynamic exposure chamber, simulating the indoor conditions of an empty, closed, room, at room temperature and minimal wind speed. Analysis has been performed by means of ion chromatography. The sampling rates for formic acid concentrations of 128 ìg m−3 and 1248 ìg m−3 were determined to be 91.2 ± 3.9 ml min−1 and 111.6 ± 2.8 ml min−1, respectively. The acetic acid sampling rate was independent of the concentration in the range 160 ìg m−31564 ìg m−3, and amounted to 97.3 ± 3.1 ml min−1. Experimentally determined sampling rates showed deviations of 3% for acetic acid, and 321% for formic acid, in relation to theoretically derived values. The blank values were as low as 1.69 ± 0.07 ìg for formic acid and 1.21 ± 0.14 ìg for acetic acid, and detection limits lower than 0.5 ìg m−3 could be achieved, which is an improvement of 9899% compared to previously validated diffusive sampling methods. This study describes the first step of an extended validation program in which the applicability of these types of samplers for the measurement of organic acids will be validated and optimised for the environmental conditions typical for museum showcases.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000263159800038 Publication Date 2008-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1420-2026; 1573-2967 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:72923 Serial 7447
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Author Gonzalez-Quiroga, A.; Kulkarni, S.R.; Vandewalle, L.; Perreault, P.; Goel, C.; Heynderickx, G.J.; van Geem, K.M.; Marin, G.B.
  Title Azimuthal and radial flow patterns of 1g-Geldart B-type particles in a gas-solid vortex reactor Type A1 Journal article
  Year 2019 Publication Powder technology Abbreviated Journal
  Volume 354 Issue Pages (down) 410-422
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Processes requiring intensive interfacial momentum, mass and heat exchange between gases and particulate solids can be greatly enhanced by operating in a centrifugal field. This is realized in the Gas-Solid Vortex Reactor (GSVR) with centrifugal accelerations up to two orders of magnitude higher than the Earth's gravitational acceleration. Here, the flow patterns of two 1g-Geldart B-type particles are experimentally assessed, over the gas inlet velocity range 82–126 m s−1, in an 80 mm diameter and 15 mm height GSVR. The particles are monosized aluminum spheres of 0.5 mm diameter, and walnut shell in the sieve fraction 0.50–0.56 mm and aspect ratio 1.3 ± 0.2. Two dimensional Particle Image Velocimetry combined with Digital Image Analysis and pressure measurements revealed that periodic fluctuations in solids azimuthal and radial velocity between gas inlet slots are strongly related to the average solids azimuthal velocity and bed uniformity. Aluminum particles feature steeper changes in azimuthal velocity and more attenuated changes in radial velocity than walnut shell particles. Within the assessed gas inlet velocity range the solids bed of aluminum exhibits average azimuthal velocities and bed voidages 40–50% and ≈10% lower than those of walnut shell. The aerodynamic response time of the particles, i.e. ρsdp2/18μg, emerged as an important parameter to assess the influence of the carrier gas jet on the radial deflection of the particles and the interaction solids bed-outer wall. Too low aerodynamic response time relates to nonuniformity in bed voidage due to solids radial velocity fluctuations. Excessive aerodynamic response time indicates low solids azimuthal velocities due to solids bed-outer wall friction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000490625500041 Publication Date 2019-06-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0032-5910 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:162120 Serial 7543
Permanent link to this record
 

 
Author van der Burgt, M.; Thoen, P.; Herlach, F.; Peeters, F.M.; Harris, J.J.; Foxon, C.T.
  Title The quantized Hall effect in pulsed magnetic fields Type A1 Journal article
  Year 1992 Publication Physica: B Abbreviated Journal Physica B
  Volume 177 Issue Pages (down) 409-413
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1992HP25000086 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.319 Times cited 14 Open Access
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
  Call Number UA @ lucian @ c:irua:3026 Serial 2770
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Author Bonroy, J.; Volckaert, M.; Seuntjens, P.
  Title Rapid automated measurement system for simultaneous determination of effective air-filled porosity and soil gas diffusivity Type A1 Journal article
  Year 2011 Publication Soil Science Society of America journal Abbreviated Journal
  Volume 75 Issue 2 Pages (down) 408-417
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract The effective air-filled porosity and the gas diffusion coefficient are important soil parameters determining the success of soil bioremediation projects such as (bio)venting and (bio)sparging methods in combination with soil vapor extraction. We have developed a new method to sequentially measure the effective air-filled porosity and the soil gas diffusion coefficient of a soil sample. During the purging of the sample, a fast and accurate measurement of the effective air-filled porosity can be obtained. The subsequent diffusion measurement does not require a zero-O(2) concentration in the soil sample. The procedure further allows the calculation of the soil gas diffusion coefficient before an equilibrium O(2) concentration has been reached. The results are obtained by combining the data of the inlet and outlet compartment in a single equation. A stable reading is reached when the results for the inlet and outlet compartment coincide with the results from the combined equation. The analysis time is reduced by 89 to 96% compared with methods that run until an equilibrium concentration has been reached. Moreover, combining data from inlet and outlet compartments increases the accuracy of the diffusivity measurement by a factor of two compared with previous methods.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000288827000009 Publication Date 2012-09-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0361-5995 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:113062 Serial 8453
Permanent link to this record
 

 
Author Peeters, F.M.; Reijniers, J.; Badalian, S.M.; Vasilopoulos, P.
  Title Snake orbits in hybrid semiconductor/ferromagnetic devices Type A1 Journal article
  Year 1999 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng
  Volume 47 Issue Pages (down) 405-407
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000081403600096 Publication Date 2002-07-25
  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 1.806 Times cited 6 Open Access
  Notes Approved Most recent IF: 1.806; 1999 IF: 0.815
  Call Number UA @ lucian @ c:irua:27030 Serial 3046
Permanent link to this record
 

 
Author Clima, S.; Kaczer, B.; Govoreanu, B.; Popovici, M.; Swerts, J.; Verhulst, A.S.; Jurczak, M.; De Gendt, S.; Pourtois, G.
  Title Determination of ultimate leakage through rutile TiO2 and tetragonal ZrO2 from ab initio complex band calculations Type A1 Journal article
  Year 2013 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L
  Volume 34 Issue 3 Pages (down) 402-404
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract First-principle complex band structures have been computed for rutile TiO2 and tetragonal ZrO2 insulating materials that are of current technological relevance to dynamic random accessmemorymetal-insulator-metal (MIM) capacitors. From the magnitude of the complex wave vectors in different orientations, the most penetrating orientations have been identified. Tunneling effective masses m(tunnel) have been extracted, are shown to be a crucial parameter for the intrinsic leakage, and are identified to be an important parameter in further scaling of MIM capacitors.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000315723000024 Publication Date 2013-01-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0741-3106;1558-0563; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.048 Times cited 3 Open Access
  Notes Approved Most recent IF: 3.048; 2013 IF: 3.023
  Call Number UA @ lucian @ c:irua:108295 Serial 680
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Author Ribbens, S.; Meynen, V.; Van Tendeloo, G.; Ke, X.; Mertens, M.; Maes, B.U.W.; Cool, P.; Vansant, E.F.
  Title Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies Type A1 Journal article
  Year 2008 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 114 Issue 1/3 Pages (down) 401-409
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
  Abstract Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000258432100040 Publication Date 2008-02-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.615 Times cited 47 Open Access
  Notes Fwo; Crp (Ua) Approved Most recent IF: 3.615; 2008 IF: 2.555
  Call Number UA @ lucian @ c:irua:69696 Serial 683
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Author Bal, K.M.; Bogaerts, A.; Neyts, E.C.
  Title Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry Letters Abbreviated Journal J Phys Chem Lett
  Volume 11 Issue 2 Pages (down) 401-406
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present an approach to incorporate the effect of vibrational nonequilibrium in molecular dynamics (MD) simulations. A perturbed canonical ensemble, in which selected modes are excited to higher temperature while all others remain equilibrated at low temperature, is simulated by applying a specifically tailored bias potential. Our method can be readily applied to any (classical or quantum mechanical) MD setup at virtually no additional computational cost and allows the study of reactions of vibrationally excited molecules in nonequilibrium environments such as plasmas. In combination with enhanced sampling methods, the vibrational efficacy and mode selectivity of vibrationally stimulated reactions can then be quantified in terms of chemically relevant observables, such as reaction rates and apparent free energy barriers. We first validate our method for the prototypical hydrogen exchange reaction and then show how it can capture the effect of vibrational excitation on a symmetric SN2 reaction and radical addition on CO2.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000508473400008 Publication Date 2020-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.7 Times cited Open Access
  Notes Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Departement Economie, Wetenschap en Innovatie van de Vlaamse Overheid; K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation − Flanders), Grant 12ZI420N, and through a TOP-BOF research project of the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government− department EWI. Approved Most recent IF: 5.7; 2020 IF: 9.353
  Call Number PLASMANT @ plasmant @c:irua:165587 Serial 5442
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Author Tso, H.C.; Vasilopoulos, P.; Peeters, F.M.
  Title Coupled electron-hole transport: generalized random-phase approximation and density functional theory Type A1 Journal article
  Year 1994 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci
  Volume 305 Issue Pages (down) 400-404
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1994ND67400076 Publication Date 2002-10-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.925 Times cited 5 Open Access
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #
  Call Number UA @ lucian @ c:irua:9380 Serial 535
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Author Vodolazov, D.; Baelus, B.J.; Peeters, F.M.
  Title Dynamics of the superconducting condensate in the presence of a magnetic field : channelling of vortices in superconducting strips at high currents Type A1 Journal article
  Year 2004 Publication Physica: C : superconductivity Abbreviated Journal Physica C
  Volume 404 Issue 1-4 Pages (down) 400-404
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract On the basis of the time-dependent Ginzburg-Landau equation we studied the dynamics of the superconducting condensate in a wide two-dimensional sample in the presence of a perpendicular magnetic field and applied current. We could identify two critical currents: the current at which the pure superconducting state becomes unstable (J(c2)(1)) and the current at which the system transits from the resistive state to the superconducting state (J(c1) < J(c2)). The current J(c2) decreases monotonically with external magnetic field, while J(c1) exhibits a maximum at H*. For sufficient large magnetic fields the hysteresis disappears and J(c1) = J(c2) = Jc. In this high magnetic field region and for currents close to Jc the voltage appears as a result of the motion of separate vortices. With increasing current the moving vortices form,channels' with suppressed order parameter along which the vortices can move very fast. This leads to a sharp increase of the voltage. These 'channels' resemble in some respect the phase slip lines which occur at zero magnetic field. (C) 2004 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000221211500074 Publication Date 2004-02-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.404 Times cited 16 Open Access
  Notes Approved Most recent IF: 1.404; 2004 IF: 1.072
  Call Number UA @ lucian @ c:irua:95108 Serial 784
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Author Roose, D.; Leroux, F.; de Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; van der Linden, A.-M.; Bals, S.
  Title Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale Type A1 Journal article
  Year 2014 Publication Contrast media and molecular imaging Abbreviated Journal Contrast Media Mol I
  Volume 9 Issue 6 Pages (down) 400-408
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Bio-Imaging lab
  Abstract In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1week and in the olfactory bulb at 9months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. Copyright (c) 2014 John Wiley Sons, Ltd.
  Address
  Corporate Author Thesis
  Publisher Place of Publication S.l. Editor
  Language Wos 000346172100001 Publication Date 2014-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1555-4309; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.307 Times cited 5 Open Access Not_Open_Access
  Notes ; The authors would like to thank Sofie Thys for her technical support. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001 and AUHA 11/01). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative no. 262348 European Soft Matter Infrastructure, ESMI), the Fund for Scientific Research- Flanders and the Flemish Institute for Science and Technology and the Belgian government through the Interuniversity Attraction Pole Program (IAP- PAI). ; Approved Most recent IF: 3.307; 2014 IF: 2.923
  Call Number UA @ lucian @ c:irua:122750 Serial 2222
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Author Herrebout, D.; Bogaerts, A.; Yan, M.; Goedheer, W.; Dekempeneer, E.; Gijbels, R.
  Title An extended RF methane plasma 1D fluid model of interest in deposition of diamond-like carbon layers Type P3 Proceeding
  Year 2000 Publication Abbreviated Journal
  Volume Issue Pages (down) 399-401
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Société française du vide Place of Publication S.l. Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:82297 Serial 1156
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Author Cao, S.; Somsen, C.; Croitoru, M.; Schryvers, D.; Eggeler, G.
  Title Focused ion beam/scanning electron microscopy tomography and conventional transmission electron microscopy assessment of Ni4Ti3 morphology in compression-aged Ni-rich Ni-Ti single crystals Type A1 Journal article
  Year 2010 Publication Scripta materialia Abbreviated Journal Scripta Mater
  Volume 62 Issue 6 Pages (down) 399-402
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract The size, morphology and configuration of Ni4Ti3 precipitates in a single-crystal NiTi alloy have been investigated by two-dimensional transmission electron microscopy-based image analysis and three-dimensional reconstruction from slice-and-view images obtained in a focused ion beam/scanning electron microscopy (FIB/SEM) dual-beam system. Average distances between the precipitates measured along the compression direction correlate well between both techniques, while particle shape and configuration data is best obtained from FIB/SEM. Precipitates form pockets of B2 of 0.54 ìm in the compression direction and 1 ìm perpendicular to the compression direction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000275072700020 Publication Date 2009-12-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.747 Times cited 16 Open Access
  Notes Fwo Approved Most recent IF: 3.747; 2010 IF: 2.820
  Call Number UA @ lucian @ c:irua:79817 Serial 1246
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
  Title Modeling PECVD growth of nanostructured carbon materials Type A1 Journal article
  Year 2009 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
  Volume 13 Issue 3/4 Pages (down) 399-412
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000274202300012 Publication Date 2010-02-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:80991 Serial 2138
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Author Janssens, K.; Alfeld, M.; van der Snickt, G.; de Nolf, W.; Vanmeert, F.; Radepont, M.; Monico, L.; et al.
  Title The use of synchrotron radiation for the characterization of artists' pigments and paintings Type A1 Journal article
  Year 2013 Publication Annual review of analytical chemistry Abbreviated Journal Annu Rev Anal Chem
  Volume 6 Issue Pages (down) 399-425
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract We review methods and recent studies in which macroscopic to (sub)microscopic X-ray beams were used for nondestructive analysis and characterization of pigments, paint microsamples, and/or entire paintings. We discuss the use of portable laboratory- and synchrotron-based instrumentation and describe several variants of X-ray fluorescence (XRF) analysis used for elemental analysis and imaging and combined with X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Macroscopic and microscopic (μ-)XRF variants of this method are suitable for visualizing the elemental distribution of key elements in paint multilayers. Technical innovations such as multielement, large-area XRF detectors have enabled such developments. The use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that take place during natural pigment alteration processes. However, synchrotron-based combinations of μ-XRF, μ-XAS, and μ-XRD are suitable for such studies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000323887500019 Publication Date 2013-06-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-1327 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.435 Times cited 46 Open Access
  Notes ; ; Approved Most recent IF: 7.435; 2013 IF: 7.814
  Call Number UA @ admin @ c:irua:111315 Serial 5902
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Author Abreu, Y.; Cruz, C.M.; van Espen, P.; Pérez, C.; Piñera, I.; Leyva, A.; Cabal, A.E.
  Title Electric field gradient calculations in ZnO samples implanted with 111In(111Cd) Type A1 Journal article
  Year 2012 Publication Solid state communications Abbreviated Journal
  Volume 152 Issue 5 Pages (down) 399-402
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A first-principles study of the electric field gradient (EFG) calculated for ideal and In-111(Cd-111) implanted ZnO samples is reported in the present work. The study was made for ZnO ideal hexagonal structures and supercells were introduced in order to consider the possible implantation environments. The calculation was done using the “WIEN2k” code within the density functional theory, the exchange and correlation effects were determined by the GGA approximation. Three possible In-111(Cd-111) implantation configurations were studied, one substitutional incorporation at cation site and two interstitials. The obtained EFG values for the ideal structure and the substitutional site are in good agreement with the experimental reports measured by perturbed angular correlation (PAC) and high precision nuclear magnetic resonance (NMR). Thus, the ascription of substitutional incorporation of In-111(Cd-111) probe atom at the ZnO cation site after annealing was confirmed. (C) 2011 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000301329200016 Publication Date 2011-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098 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:97821 Serial 7857
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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 (down) 398-404
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract 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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1996UJ45000017 Publication Date 2003-05-12
  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 1.897 Times cited 28 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12328 Serial 40
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