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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 (up) Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 27 Issue 5 Pages 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
Permanent link to this record
 

 
Author Drăgan, A.-M.; Parrilla, M.; Sleegers, N.; Slosse, A.; Van Durme, F.; van Nuijs, A.; Oprean, R.; Cristea, C.; De Wael, K.
  Title Investigating the electrochemical profile of methamphetamine to enable fast on-site detection in forensic analysis Type A1 Journal article
  Year 2023 Publication (up) Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 255 Issue Pages 124208-124211
  Keywords A1 Journal article; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Methamphetamine (MA) is a synthetic psychoactive drug which is consumed both licitly and illicitly. In some countries it is prescribed for attention-deficit and hyperactivity disorder, and short-term treatment of obesity. More often though, it is abused for its psychostimulant properties. Unfortunately, the spread and abuse of this synthetic drug have increased globally, being reported as the most widely consumed synthetic psychoactive drug in the world in 2019. Attempting to overcome the shortcomings of the currently used on-site methods for MA detection in suspected cargos, the present study explores the potential of electrochemical identification of MA by means of square wave voltammetry on disposable graphite screen-printed electrodes. Hence, the analytical characterization of the method was evaluated under optimal conditions exhibiting a linear range between 50 mu M and 2.5 mM MA, a LOD of 16.7 mu M, a LOQ of 50.0 mu M and a sensitivity of 5.3 mu A mM-1. Interestingly, two zones in the potential window were identified for the detection of MA, depending on its concentration in solution. Furthermore, the oxidative pathway of MA was elucidated employing liquid chromatography – mass spectrometry to understand the change in the electrochemical profile. Thereafter, the selectivity of the method towards MA in mixtures with other drugs of abuse as well as common adulterants/cutting agents was evaluated. Finally, the described method was employed for the analysis of MA in confiscated samples and compared with forensic methods, displaying its potential as a fast and easy-to-use method for on-site analysis.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000925076200001 Publication Date 2023-01-05
  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 6.1 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.1; 2023 IF: 4.162
  Call Number UA @ admin @ c:irua:194314 Serial 8890
Permanent link to this record
 

 
Author Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Donnelly, R.F.; De Wael, K.
  Title Wearable hollow microneedle sensing patches for the transdermal electrochemical monitoring of glucose Type A1 Journal article
  Year 2022 Publication (up) Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 249 Issue Pages 123695-123699
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract According to the World Health Organization, about 422 million people worldwide have diabetes, with 1.5 million deaths directly attributed each year. Therefore, there is still a need to effectively monitor glucose in diabetic patients for proper management. Recently, wearable patches based on microneedle (MN) sensors provide minimally invasive analysis of glucose through the interstitial fluid (ISF) while exhibiting excellent correlation with blood glucose. Despite many advances in wearable electrochemical sensors, long-term stability and continuous monitoring remain unsolved challenges. Herein, we present a highly stable electrochemical biosensor based on a redox mediator bilayer consisting of Prussian blue and iron-nickel hexacyanoferrate to increase the long-term stability of the readout coupled with a hollow MN array as a sampling unit for ISF uptake. First, the enzymatic biosensor is developed by using affordable screen-printed electrodes (SPE) and optimized for long-term stability fitting the physiological range of glucose in ISF (i.e., 2.5–22.5 mM). In parallel, the MN array is assessed for minimally invasive piercing of the skin. Subsequently, the biosensor is integrated with the MN array leaving a microfluidic spacer that works as the electrochemical cell. Interestingly, a microfluidic channel connects the cell with an external syringe to actively and rapidly withdraw ISF toward the cell. Finally, the robust MN sensing patch is characterized during in vitro and ex vivo tests. Overall, affordable wearable MN-based patches for the continuous monitoring of glucose in ISF are providing an advent in wearable devices for rapid and life-threatening decision-making processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000826441800002 Publication Date 2022-06-16
  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 OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:188955 Serial 8955
Permanent link to this record
 

 
Author Deleu, N.; Hillen, M.; Steenackers, G.; Borms, G.; Janssens, K.; Van der Stighelen, K.; Van der Snickt, G.
  Title Combined macro X-ray fluorescence (MA-XRF) and pulse phase thermography (PPT) imaging for the technical study of panel paintings Type A1 Journal article
  Year 2024 Publication (up) Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 270 Issue Pages 125533-11
  Keywords A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract Museum staff usually relies on a proven combination of X-ray radiography (XRR) and infrared reflectography (IRR) to study paintings in a non-destructive manner. In the last decades, however, the research toolbox of heritage scientists has expanded considerably, with a prime example being macro X-ray fluorescence (MA-XRF), producing element-specific images. The goal of this article is to illustrate the added value of augmenting MA-XRF with pulse phase thermography (PPT), a variant of active infrared thermographic imaging (IRT), which is an innovative diagnostic method that is able to reveal variations between or in materials, based on a different response to minor fluctuations in temperature when irradiated with optical radiation. By examining three 16thand 17th-century panel paintings we assess the extent in which combined MA-XRF and PPT contributes to a better understanding of two commonly encountered interventions to panel paintings: (a) Anstuckungen (enlargement of the panel) or (b) substitutions (replacement of part of the panel). Yielding information from different depths of the painting, these two techniques proved highly complementary with IRR and XRR, expanding the understanding of the build-up, genesis, and material history of the paintings. While MA-XRF documented the interventions to the wooden substrate indirectly by revealing variations in painting materials, paint handling and/ or layer sequence between the original part and the extended or replaced planks, PPT proved beneficial for the study of the wooden support itself, by providing a clear image of the wood structure quasi-free of distortion by the superimposed paint or cradling. XRR, on the other hand, revealed other features from the wood structure, not visible with PPT, and allowed looking through the wooden panels, revealing e.g. the dowels used for joining the planks. Additionally, IRR visualised dissimilarities in the underdrawings. In this way, the results indicate that PPT has the potential to become an acknowledged add-on to the expanding set of imaging methods for paintings, especially when used in combination with MA-XRF, IRR and XRR.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001144098200001 Publication Date 2023-12-09
  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
  Impact Factor 6.1 Times cited Open Access
  Notes Approved Most recent IF: 6.1; 2024 IF: 4.162
  Call Number UA @ admin @ c:irua:203764 Serial 9193
Permanent link to this record
 

 
Author Artaxo, P.; Rabello, M.L.C.; Maenhaut, W.; Van Grieken, R.
  Title Trace elements and individual particle analysis of atmospheric aerosols from the Antarctic peninsula Type A3 Journal article
  Year 1992 Publication (up) Tellus Abbreviated Journal
  Volume 44b Issue Pages 318-334
  Keywords A3 Journal article; 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:2845 Serial 8689
Permanent link to this record
 

 
Author Legrand, S.; Alfeld, M.; Vanmeert, F.; de Nolf, W.; Janssens, K.
  Title Macroscopic Fourier transform infrared scanning in reflection mode (MA-rFTIR), a new tool for chemical imaging of cultural heritage artefacts in the mid-infrared range Type A1 Journal article
  Year 2014 Publication (up) The analyst Abbreviated Journal Analyst
  Volume 139 Issue 10 Pages 2489-2498
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In this paper we demonstrate that by means of scanning reflection FTIR spectroscopy, it is possible to record highly specific distribution maps of organic and inorganic compounds from flat, macroscopic objects with cultural heritage value in a non-invasive manner. Our previous work involved the recording of macroscopic distributions of chemical elements or crystal phases from painted works of art based on respectively macroscopic X-ray fluorescence or X-ray powder diffraction analysis. The use of infrared radiation instead of X-rays has the advantage that more specific information about the nature and distribution of the chemical compounds present can be gathered. This higher imaging specificity represents a clear advantage for the characterization of painting and artist materials. It allows the distribution of metallo-organic compounds to be visualized and permits distinguishing between pigmented materials containing the same key metal. The prototype instrument allows the recording of hyperspectral datacubes by scanning the surface of the artefact in a contactless and sequential single-point measuring mode, while recording the spectrum of reflected infrared radiation. After the acquisition, spectral line intensities of individual bands and chemical distribution maps can be extracted from the datacube to identify the compounds present and/or to highlight their spatial distribution. Not only is information gained on the surface of the investigated artefacts, but also images of overpainted paint layers and, if present, the underdrawing may be revealed in this manner. A current major limitation is the long scanning times required to record these maps.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000334734200028 Publication Date 2014-02-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.885 Times cited 25 Open Access
  Notes ; ; Approved Most recent IF: 3.885; 2014 IF: 4.107
  Call Number UA @ admin @ c:irua:116595 Serial 5699
Permanent link to this record
 

 
Author Qurashi, A.; Rather, J.A.; De Wael, K.; Merzougui, B.; Tabet, N.; Faiz, M.
  Title Rapid microwave synthesis of high aspect-ration ZnO nanotetrapods for swift bisphenol A detection Type A1 Journal article
  Year 2013 Publication (up) The analyst Abbreviated Journal Analyst
  Volume 138 Issue 17 Pages 4764-4768
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000322389600011 Publication Date 2013-05-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.885 Times cited 15 Open Access
  Notes ; One of the authors (Jahangir Ahmad Rather) is highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; Approved Most recent IF: 3.885; 2013 IF: 3.906
  Call Number UA @ admin @ c:irua:108959 Serial 5801
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Author Bull, D.; Krekeler, A.; Alfeld, M.; Dik, J.; Janssens, K.
  Title An intrusive portrait by Goya Type A1 Journal article
  Year 2011 Publication (up) The Burlington magazine Abbreviated Journal
  Volume 153 Issue 1303 Pages 668-673
  Keywords A1 Journal article; Art; 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 0007-6287; 2044-9925 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:93602 Serial 5672
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Author Koldeweij, J.; Hoogstede, L.; Ilsink, M.; Janssens, K.; De Keyser, N.; Gotink, R.K.; Legrand, S.; Nauhaus, J.M.; van der Snickt, G.; Spronk, R.
  Title The patron of Hieronymus Bosch's 'Last Judgment' triptych in Vienna Type A1 Journal article
  Year 2018 Publication (up) The Burlington magazine Abbreviated Journal
  Volume 160 Issue 1379 Pages 106-111
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A technical examination of the Last Judgment triptych by Hieronymus Bosch in the Paintings Gallery of the Academy of Fine Arts, Vienna, has revealed a painted escutcheon with the coat of arms of the Burgundian court official Hippolyte de Berthoz underneath the current surface of the right outer wing. This allows him to be firmly identified as the painting's patron.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458246800007 Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0007-6287; 2044-9925 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:181267 Serial 8656
Permanent link to this record
 

 
Author Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al.
  Title Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations Type P1 Proceeding
  Year 2015 Publication (up) The conference record of the IEEE Photovoltaic Specialists Conference T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA Abbreviated Journal
  Volume Issue Pages
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4799-7944-8 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:132335 Serial 4229
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Author Monico, L.; Rosi, F.; Vivani, R.; Cartechini, L.; Janssens, K.; Gauquelin, N.; Chezganov, D.; Verbeeck, J.; Cotte, M.; D'Acapito, F.; Barni, L.; Grazia, C.; Buemi, L.P.; Andral, J.-L.; Miliani, C.; Romani, A.
  Title Deeper insights into the photoluminescence properties and (photo)chemical reactivity of cadmium red (CdS1-xSex) paints in renowned twentieth century paintings by state-of-the-art investigations at multiple length scales Type A1 Journal article
  Year 2022 Publication (up) The European Physical Journal Plus Abbreviated Journal Eur Phys J Plus
  Volume 137 Issue 3 Pages 311
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract Cadmium red is the name used for denoting a class of twentieth century artists' pigments described by the general formula CdS1-xSex. For their vibrant hues and excellent covering power, a number of renowned modern and contemporary painters, including Jackson Pollock, often used cadmium reds. As direct band gap semiconductors, CdS1-xSex compounds undergo direct radiative recombination (with emissions from the green to orange region) and radiative deactivation from intragap trapping states due to crystal defects, which give rise to two peculiar red-NIR emissions, known as deep level emissions (DLEs). The positions of the DLEs mainly depend on the Se content of CdS1-xSex; thus, photoluminescence and diffuse reflectance vis-NIR spectroscopy have been profitably used for the non-invasive identification of different cadmium red varieties in artworks over the last decade. Systematic knowledge is however currently lacking on what are the parameters related to intrinsic crystal defects of CdS1-xSex and environmental factors influencing the spectral properties of DLEs as well as on the overall (photo)chemical reactivity of cadmium reds in paint matrixes. Here, we present the application of a novel multi-length scale and multi-method approach to deepen insights into the photoluminescence properties and (photo)chemical reactivity of cadmium reds in oil paintings by combining both well established and new non-invasive/non-destructive analytical techniques, including macro-scale vis-NIR and vibrational spectroscopies and micro-/nano-scale advanced electron microscopy mapping and X-ray methods employing synchrotron radiation and conventional sources. Macro-scale vis-NIR spectroscopy data obtained from the in situ non-invasive analysis of nine masterpieces by Gerardo Dottori, Jackson Pollock and Nicolas de Stael allowed classifying the CdS1-xSex-paints in three groups, according to the relative intensity of the two DLE bands. These outcomes, combined with results from micro-/nano-scale electron microscopy mapping and X-ray analysis of a set of CdS1-xSex powders and artificially aged paint mock-ups, indicated that the relative intensity of DLEs is not affected by the morphology, microstructure and local atomic environment of the pigment particles but it is influenced by the presence of moisture. Furthermore, the extensive study of artificially aged oil paint mock-ups permitted us to provide first evidence of the tendency of cadmium reds toward photo-degradation and to establish that the conversion of CdS1-xSex to CdSO4 and/or oxalates is triggered by the oil binding medium and moisture level and depends on the Se content. Based on these findings, we could interpret the localized presence of CdSO4 and cadmium oxalate as alteration products of the original cadmium red paints in two paintings by Pollock.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000765807600002 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2190-5444 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.4 Times cited 3 Open Access OpenAccess
  Notes g The research was financially supported by the EU FP7 and Horizon 2020 Projects CHARISMA (FP7-INFRASTRUCTURES, GA No. 228330), IPERION-CH (H2020-INFRAIA-2014-2015, GA No. 654028), IPERION-HS (H2020-INFRAIA-2019-1, GA No. 871034) and ESTEEM3 (Research and innovation programme, GA No. 823717) and the Italian project AMIS (Dipartimenti di Eccellenza 2018–2022, funded by MIUR and Perugia University). For the beamtime grants received, we thank ESRF-ID21 (Experiment No. HG156 and in-house beamtimes) and the CERIC-ERIC Research Infrastructure for the investigations at ESRF-BM08 (LISA) beamline (Proposal Id: 20207042). D.C. acknowledges TOP/BOF funding of the University of Antwerp.; esteem3reported; esteem3TA Approved Most recent IF: 3.4
  Call Number UA @ admin @ c:irua:187375 Serial 7060
Permanent link to this record
 

 
Author Sebhatu, K.T.; Gezahegn, T.W.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M.
  Title Exploring variability across cooperatives : economic performance of agricultural cooperatives in northern Ethiopia Type A1 Journal article
  Year 2021 Publication (up) The international food and agribusiness management review Abbreviated Journal
  Volume 24 Issue 3 Pages 397-419
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract The number of agricultural cooperatives increased quickly in Ethiopia since the 1990s. While many papers studied the impact of membership of Ethiopian cooperatives, not much is known on their performance. This study takes a cooperative-level perspective which is unique in an African context. It compares the economic performance proxied by sales revenue and profit of a wide range of agricultural cooperatives in northern Ethiopia. Data were collected from 511 agricultural cooperatives in 12 districts of Tigray. The contributing factors of the performance are analyzed with Ordinary Least Squares regression (OLS) and Heckman selection models. Our results underscore the importance of membership size, total assets, presence of conflict among members, and union membership. Chairperson characteristics and the internal organization of a cooperative seem to be less correlated to performance.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000645416400002 Publication Date 2021-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1096-7508; 1559-2448 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:179025 Serial 6923
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title Ab initio study of the structure, infrared spectra and heat of formation of C4 Type A1 Journal article
  Year 1991 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 94 Issue Pages 3753-3761
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1991FA77800052 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 62 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:715 Serial 38
Permanent link to this record
 

 
Author Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title An ab initio study of the C3+ cation using multireference methods Type A1 Journal article
  Year 1991 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 6530-6534
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record
  Impact Factor 2.952 Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:720 Serial 39
Permanent link to this record
 

 
Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
  Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
  Year 2014 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 140 Issue 7 Pages 074304-74309
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000332039900020 Publication Date 2014-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 30 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952
  Call Number UA @ lucian @ c:irua:115857 Serial 1002
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers Type A1 Journal article
  Year 1992 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 96 Issue 10 Pages 7633-7645
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1992HU55700047 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 59 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4195 Serial 1206
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers Type A1 Journal article
  Year 1992 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 97 Issue 5 Pages 3530-3536
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1992JL37200072 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 22 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4197 Serial 1207
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the effect of centrifugal stretching on the rotational partition function of an asymmetric top Type A1 Journal article
  Year 1991 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 8374-8389
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1991GR66500062 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 12 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:716 Serial 2434
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the heat formation of C8 and higher carbon clusters (letter to the editor) Type A1 Journal article
  Year 1991 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 9420-9421
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1991GV82500076 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 27 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:719 Serial 2437
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C.
  Title On the time scale associated with Monte Carlo simulations Type A1 Journal article
  Year 2014 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 141 Issue 20 Pages 204104
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000345641400005 Publication Date 2014-11-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 26 Open Access
  Notes Approved Most recent IF: 2.965; 2014 IF: 2.952
  Call Number UA @ lucian @ c:irua:120667 Serial 2459
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Author Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R.
  Title Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential Type A1 Journal article
  Year 2015 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 142 Issue 142 Pages 024902
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000348129700053 Publication Date 2015-01-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 7 Open Access
  Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; Approved Most recent IF: 2.965; 2015 IF: 2.952
  Call Number c:irua:123832 Serial 3267
Permanent link to this record
 

 
Author Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
  Title Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite Type A1 Journal article
  Year 2007 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 126 Issue 6 Pages 064304,1-15
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000244250200008 Publication Date 2007-02-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 14 Open Access
  Notes Approved Most recent IF: 2.965; 2007 IF: 3.044
  Call Number UA @ lucian @ c:irua:63628 Serial 3381
Permanent link to this record
 

 
Author Kandemir, A.; Peeters, F.M.; Sahin, H.
  Title Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via spectrum Type A1 Journal article
  Year 2018 Publication (up) The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 149 Issue 8 Pages 084707
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000444035800044 Publication Date 2018-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 11 Open Access
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from TUBITAK under Project No. 117F095. F.M.P. was supported by the FLAG-ERA-TRANS<INF>2D</INF>TMD. ; Approved Most recent IF: 2.965
  Call Number UA @ lucian @ c:irua:153711UA @ admin @ c:irua:153711 Serial 5115
Permanent link to this record
 

 
Author Ramael, M.; van den Bossche, J.; Buysse, C.; van Meerbeeck, J.; Segers, K.; Vermeire, P.; Van Marck, E.
  Title Immunoreactivity for P-170 glycoprotein in malignant mesothelioma and in non-neoplastic mesothelium of the pleura using the murine monoclonal antibody JSB-1 Type A1 Journal article
  Year 1992 Publication (up) The journal of pathology Abbreviated Journal
  Volume 167 Issue Pages 5-8
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1992HW17700002 Publication Date 2005-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3417 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:3618 Serial 8059
Permanent link to this record
 

 
Author Ramael, M.; Lemmens, G.; Eerdekens, C.; Buysse, C.; Deblier, I.; Jacobs, W.; Van Marck, E.
  Title Immunoreactivity for p53 protein in malignant mesothelioma and non-neoplastic mesothelium Type A1 Journal article
  Year 1992 Publication (up) The journal of pathology Abbreviated Journal
  Volume 168 Issue Pages 371-375
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1992KE99600005 Publication Date 2005-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3417 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:3646 Serial 8060
Permanent link to this record
 

 
Author Ramael, M.; Buysse, C.; van den Bossche, J.; Segers, K.; Van Marck, E.
  Title Immunoreactivity for the β chain of the platelet derived growth factor receptor (PDGF-R) in malignant mesothelioma and non-neoplastic mesothelium Type A1 Journal article
  Year 1992 Publication (up) The journal of pathology Abbreviated Journal
  Volume 167 Issue Pages 1-4
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  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 0022-3417 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:3614 Serial 8061
Permanent link to this record
 

 
Author Ramael, M.; van den Bossche, J.; Buysse, C.; Van Marck, E.
  Title Nucleolar organizer regions in mesothelial proliferations Type L1 Letter to the editor
  Year 1992 Publication (up) The journal of pathology Abbreviated Journal
  Volume 167 Issue Pages 435
  Keywords L1 Letter to the editor; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1992JL42900013 Publication Date 2005-06-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3417 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:3642 Serial 8321
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title Accurate ab initio quartic force fields and thermochemistry of FNO and CINO Type A1 Journal article
  Year 1994 Publication (up) The journal of physical chemistry Abbreviated Journal
  Volume 98 Issue 44 Pages 11394-11400
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos A1994PP89400022 Publication Date 2005-03-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3654;1541-5740; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 21 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12310 Serial 44
Permanent link to this record
 

 
Author Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Frantti, J.; Lebedev, O.I.; Churagulov, B.R.; Van Tendeloo, G.; Yoshimura, M.
  Title Hydrothermal synthesis and characterization of nanorods of various titanates and titanium dioxide Type A1 Journal article
  Year 2006 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B
  Volume 110 Issue 9 Pages 4030-4038
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000235944500033 Publication Date 2006-03-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.177 Times cited 234 Open Access
  Notes Approved Most recent IF: 3.177; 2006 IF: 4.115
  Call Number UA @ lucian @ c:irua:56988 Serial 1540
Permanent link to this record
 

 
Author Liu, S.; Cool, P.; Collart, O.; van der Voort, P.; Vansant, E.F.; Lebedev, O.I.; Van Tendeloo, G.; Jiang, M.
  Title The influence of the alcohol concentration on the structural ordering of mesoporous silica: cosurfactant versus cosolvent Type A1 Journal article
  Year 2003 Publication (up) The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B
  Volume 107 Issue Pages 10405-10411
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000185401900013 Publication Date 2003-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.177 Times cited 134 Open Access
  Notes Approved Most recent IF: 3.177; 2003 IF: 3.679
  Call Number UA @ lucian @ c:irua:46264 Serial 1643
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