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Author (up) Milovanović, S.
Title Electronic transport properties in nano- and micro-engineered graphene structures Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 Most recent IF: NA
Call Number UA @ lucian @ c:irua:143632 Serial 4595
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Author (up) Milovanović, S.P.; Peeters, F.M.
Title Strained graphene structures : from valleytronics to pressure sensing Type P1 Proceeding
Year 2018 Publication Nanostructured Materials For The Detection Of Cbrn Abbreviated Journal
Volume Issue Pages 3-17 T2 - NATO Advanced Research Workshop on Nanos
Keywords P1 Proceeding; Pharmacology. Therapy; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite direction for electrons originating from different valleys. We show that valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by a Gaussian-like deformation allows electrons from only one valley to transmit and a current of electrons from a single valley is generated at the opposite side of the locally strained region. Furthermore, applying a pressure difference between the two sides of a graphene membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477758900001 Publication Date 2018-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-94-024-1306-9; 978-94-024-1304-5; 978-94-024-1303-8; 978-94-024-1303-8 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 6 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:161972 Serial 8583
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Author (up) Mirzakhani, M.
Title Electronic properties and energy levels of graphene quantum dots Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 Most recent IF: NA
Call Number UA @ lucian @ c:irua:147179 Serial 4781
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Author (up) Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M.
Title Electrostatically confined trilayer graphene quantum dots Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal
Volume 95 Issue 15 Pages 155434
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399797200003 Publication Date 2017-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 6 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152652 Serial 7878
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Author (up) Mishra, V.K.; Dons, E.; Panis, L.I.; Frijns, E.; van Poppel, M.; Berghmans, P.; Bleux, N.; Wuyts, K.; Samson, R.
Title Understanding ultrafine particles dynamics within a one km urban grid Type P3 Proceeding
Year 2010 Publication Abbreviated Journal
Volume Issue Pages
Keywords P3 Proceeding; 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 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:88671 Serial 8709
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Author (up) Mishra, V.K.; Kumar, P.; Van Poppel, M.; Bleux, N.; Frijns, E.; Reggente, M.; Berghmans, P.; Int Panis, L.; Samson, R.
Title Wintertime spatio-temporal variation of ultrafine particles in a Belgian city Type A1 Journal article
Year 2012 Publication The science of the total environment Abbreviated Journal
Volume 431 Issue Pages 307-313
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Simultaneous measurements of ultrafine particles (UFPs) were carried out at four sampling locations situated within a 1 km(2) grid area in a Belgian city, Borgerhout (Antwerp). All sampling sites had different orientation and height of buildings and dissimilar levels of anthropogenic activities (mainly traffic volume). The aims were to investigate: (i) the spatio-temporal variation of UFP within the area, (ii) the effect of wind direction with respect to the volume of traffic on UFP levels, and (iii) the spatial representativeness of the official monitoring station situated in the study area. All sampling sites followed similar diurnal patterns of UFP variation, but effects of local traffic emissions were evident. Wind direction also had a profound influence on UFP concentrations at certain sites. The results indicated a clear influence of local weather conditions and the more dominant effect of traffic volumes. Our analysis indicated that the regional air quality monitoring station represented the other sampling sites in the study area reasonably well; temporal patterns were found to be comparable though the absolute average concentrations showed differences of up to 35%. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000306887900037 Publication Date 2012-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697; 1879-1026 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:101123 Serial 8759
Permanent link to this record
 

 
Author (up) Misseeuw, L.; Krajewska, A.; Pasternak, I.; Ciuk, T.; Strupinski, W.; Reekmans, G.; Adriaensens, P.; Geldof, D.; Geldof, D.; Van Vlierberghe, S.; Thienpont, H.; Dubruelf, P.; Vermeulen, N.
Title Optical-quality controllable wet-chemical doping of graphene through a uniform, transparent and low-roughness F4-TCNQ/MEK layer Type A1 Journal article
Year 2016 Publication RSC advances Abbreviated Journal
Volume Issue 106 Pages 104491-104501
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Controllable chemical doping of graphene has already proven very useful for electronic applications, but when turning to optical and photonic applications, the additional requirement of having both a high transparency and a low surface roughness has, to our knowledge, not yet been fulfilled by any chemical dopant system reported so far. In this work, a new method that meets for the first time this opticalquality requirement while also providing efficient, controllable doping is presented. The method relies on F4-TCNQ dissolved in methyl ethyl ketone (MEK) yielding a uniform deposition after spin coating because of an extraordinary charge transfer interaction between the F4-TCNQ and MEK molecules. The formed F4-TCNQ/MEK layer exhibits a very high surface quality and optical transparency over the visible-infrared wavelength range between 550 and 1900 nm. By varying the dopant concentration of F4-TCNQ from 2.5 to 40 mg ml1 MEK, the doping effect can be controlled between Dn ¼ +5.73 1012 cm2 and +1.09 1013 cm2 for initially strongly p-type hydrogen-intercalated graphene grown on 6Hsilicon- carbide substrates, and between Dn ¼ +5.56 1012 cm2 and +1.04 1013 cm2 for initially weakly p-type graphene transferred on silicon samples. This is the first time that truly optical-quality chemical doping of graphene is demonstrated, and the obtained doping values exceed those reported before for F4-TCNQ-based graphene doping by as much as 50%.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000388111900075 Publication Date 2016-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 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:136405 Serial 8335
Permanent link to this record
 

 
Author (up) Mitchell, T.E.; Gronsky, R.; Van Tendeloo, G.
Title Oxide superconductors: electron microscopy Type H3 Book chapter
Year 1992 Publication Abbreviated Journal
Volume Issue Pages 401-408
Keywords H3 Book chapter; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Pergamon Press Place of Publication Oxford 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 no
Call Number UA @ lucian @ c:irua:4435 Serial 2543
Permanent link to this record
 

 
Author (up) Mmari, A.G.; Potgieter-Vermaak, S.S.; Bencs, L.; McCrindle, R.I.; Van Grieken, R.
Title Elemental and ionic components of atmospheric aerosols and associated gaseous pollutants in and near Dar es Salaam, Tanzania Type A1 Journal article
Year 2013 Publication Atmospheric environment : an international journal Abbreviated Journal
Volume 77 Issue Pages 51-61
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Elemental and water-soluble ionic compounds (WSICs) of atmospheric aerosols (total suspended particulate TSP) and some gaseous pollutants (SO2, NO2 and O3) from a coastal, semi-urban and rural site in and near Dar es Salaam, Tanzania were investigated during dry and wet seasons of January 2005November 2007. Na+, Ca2+, SO42−, NO3− and Cl− made up the dominant fraction of WSICs during the dry season with average concentrations ranging from non-detectable (n.d.)5.4, 0.262.6, 0.7414.7, 0.41.5 and 1.13.4 μg m−3, respectively, while in the wet season, from n.d. up to 1.7, 1.2, 4.4, 2.1 and 3.0 μg m−3, respectively. The total air concentrations of the detected elements (Al, Si, S, Cl, K, Ca, Fe and Zn) showed seasonal and site-specific variation in the range of 7.526.6 with an average of 14.5 μg m−3. Most of the air concentrations of pollutants were observed to decrease with increasing distance from the coastal site, which is under urban and industrial pollutant emissions. Sulphur and nitrogen oxidation ratios during the dry season ranged from 0.08 to 0.91 and 0.013 to 0.049, respectively, while they were between 0.090.65 and 0.0020.095, respectively, in the wet season. These values indicate the photochemical oxidation of SO2 and a high extent of NO3−formation in the atmosphere. Neutralization ratios revealed the presence of acidic SO42− and NO3− aerosols. Principal component analysis identified sea spray, local combustion, vehicular traffic, biomass burning and re-suspended road dust as dominant sources of aerosols at the studied coastal and semi-urban sites. However, at the rural site, besides sea spray, crustal sources, soil dust re-suspension and long-range transport are the possible origins of suspended particulates.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000324848500006 Publication Date 2013-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310 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:108096 Serial 7882
Permanent link to this record
 

 
Author (up) Mmari, A.G.; Potgieter-Vermaak, S.S.; Uiso, C.B.S.; Makundi, I.N.; Potgieter, J.H.; Van Grieken, R.
Title Corrosive marine atmosphere investigations in Tanzania: exposure sites and preliminary results Type A3 Journal article
Year 2007 Publication Newsletter of the International Global Atmospheric Chemistry Project Abbreviated Journal
Volume Issue 36 Pages 13-18
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:65012 Serial 7739
Permanent link to this record
 

 
Author (up) Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C.
Title Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties Type A1 Journal article
Year 2018 Publication Computational materials science Abbreviated Journal
Volume 144 Issue Pages 92-98
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424902300013 Publication Date 2017-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256 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:193774 Serial 8729
Permanent link to this record
 

 
Author (up) Mobaraki, A.; Sevik, C.; Yapicioglu, H.; Cakir, D.; Gulseren, O.
Title Temperature-dependent phonon spectrum of transition metal dichalcogenides calculated from the spectral energy density: Lattice thermal conductivity as an application Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal
Volume 100 Issue 3 Pages 035402
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Predicting the mechanical and thermal properties of quasi-two-dimensional (2D) transition metal dichalco-genides (TMDs) is an essential task necessary for their implementation in device applications. Although rigorous density-functional-theory-based calculations are able to predict mechanical and electronic properties, mostly they are limited to zero temperature. Classical molecular dynamics facilitates the investigation of temperature-dependent properties, but its performance highly depends on the potential used for defining interactions between the atoms. In this study, we calculated temperature-dependent phonon properties of single-layer TMDs, namely, MoS2, MoSe2, WS2, and WSe2, by utilizing Stillinger-Weber-type potentials with optimized sets of parameters with respect to the first-principles results. The phonon lifetimes and contribution of each phonon mode in thermal conductivities in these monolayer crystals are systematically investigated by means of the spectralenergy-density method based on molecular dynamics simulations. The obtained results from this approach are in good agreement with previously available results from the Green-Kubo method. Moreover, detailed analysis of lattice thermal conductivity, including temperature-dependent mode decomposition through the entire Brillouin zone, shed more light on the thermal properties of these 2D crystals. The LA and TA acoustic branches contribute most to the lattice thermal conductivity, while ZA mode contribution is less because of the quadratic dispersion around the Brillouin zone center, particularly in MoSe2 due to the phonon anharmonicity, evident from the redshift, especially in optical modes, by increasing temperature. For all the considered 2D crystals, the phonon lifetime values are compelled by transition metal atoms, whereas the group velocity spectrum is dictated by chalcogen atoms. Overall, the lattice thermal conductivity is linearly proportional with inverse temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000473536400003 Publication Date 2019-07-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 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:193764 Serial 8645
Permanent link to this record
 

 
Author (up) Monico, L.; Hendriks, E.; Geldof, M.; Miliani, C.; Janssens, K.; Brunetti, B.G.; Cotte, M.; Vanmeert, F.; Chieli, A.; Van der Snickt, G.; Romani, A.; Melo, M.J.
Title Chemical alteration and colour changes in the Amsterdam sunflowers Type H1 Book chapter
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 125-158 T2 - Van Gogh’s Sunflowers illuminated – a
Keywords H1 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract This chapter provides a description of colour changes in the Amsterdam Sunflowers due to chemical alteration of pigments, with a focus on geranium lakes and chrome yellows. The brilliant and forceful colours of these and other late nineteenth-century synthetic materials offered artists such as Vincent van Gogh new means of artistic expression that exploited a range of contrasting hues and tints. However, geranium lakes have a strong tendency to fade and chrome yellows to darken under the influence of light. Van Gogh, like other artists of his day, was aware of this drawback, yet he continued to favour the use of both pigments up until his death in July 1890 due to the unparalleled effects they gave. In April 1888, Vincent wrote to his brother Theo: Van Gogh's use of unstable colours opens a series of questions regarding the extent to which colour change affects the way his paintings look today, as discussed here in relation to the Amsterdam Sunflowers. Furthermore, given the frequency with which geranium lakes and chrome yellows occur in Van Gogh's paintings of the period 1888–90 and the predominance of chrome yellows in Sunflowers, it becomes important to understand the factors that can drive these processes of deterioration in order to develop appropriate strategies for conserving the artist's works.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2020-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-94-6372-532-3 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:190779 Serial 7640
Permanent link to this record
 

 
Author (up) Monico, L.; Rosi, F.; Miliani, C.; Daveri, A.; Brunetti, B.G.
Title Non-invasive identification of metal-oxalate complexes on polychrome artwork surfaces by reflection mid-infrared spectroscopy Type A1 Journal article
Year 2013 Publication Spectrochimica acta: part A: molecular and biomolecular spectroscopy Abbreviated Journal
Volume 116 Issue Pages 270-280
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this work a reflection mid-infrared spectroscopy study of twelve metal-oxalate complexes, of interest in art conservation science as alteration compounds, was performed. Spectra of the reference materials highlighted the presence of derivative-like and/or inverted features for the fundamental vibrational modes as result of the main contribution from the surface component of the reflected light. In order to provide insights in the interpretation of theses spectral distortions, reflection spectra were compared with conventional transmission ones. The Kramers-Kronig (KK) algorithm, employed to correct for the surface reflection distortions, worked properly only for the derivative-like bands. Therefore, to pay attention to the use of this algorithm when interpreting the reflection spectra is recommended. The outcome of this investigation was exploited to discriminate among different oxalates on thirteen polychrome art-works analyzed in situ by reflection mid-infrared spectroscopy. The visualization of the v(s)(CO) modes (1400-1200 cm(-1)) and low wavenumber bands (below 900 cm(-1)) in the raw reflection profiles allowed Ca, Cu and Zn oxalates to be identified. Further information about the speciation of different hydration forms of calcium oxalates were obtained by using the KK transform. The work proves reflection mid-infrared spectroscopy to be a reliable and sensitive spectro-analytical method for identifying and mapping different metal-oxalate alteration compounds on the surface of artworks, thus providing conservation scientists with a non-invasive tool to obtain information on the state of conservation and causes of alteration of artworks. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326207900035 Publication Date 2013-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-1425 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:112701 Serial 8313
Permanent link to this record
 

 
Author (up) Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C.
Title Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) Type A1 Journal article
Year 2019 Publication ACS Omega Abbreviated Journal
Volume 4 Issue 4 Pages 6607-6619
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000466552500057 Publication Date 2019-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2470-1343 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:160416 Serial 5577
Permanent link to this record
 

 
Author (up) Montiel, F.N.
Title Voltage against illicit drug trafficking : capabilities of electrochemical fingerprinting to detect illicit drugs Type Doctoral thesis
Year 2024 Publication Abbreviated Journal
Volume Issue Pages 256 p.
Keywords Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
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 Most recent IF: NA
Call Number UA @ admin @ c:irua:204707 Serial 9243
Permanent link to this record
 

 
Author (up) Montiel, F.N.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van Nuijs, A.L.N.; De Wael, K.
Title Electrochemical sensing of amphetamine-type stimulants (pre)-precursors to fight against the illicit production of synthetic drugs Type A1 Journal article
Year 2022 Publication Electrochimica acta Abbreviated Journal
Volume 436 Issue Pages 141446-11
Keywords A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The illicit drug precursor market for the manufacture of amphetamine-type stimulants (ATS), mainly amphetamine, methamphetamine and methylenedioxymethamphetamine (MDMA), has emerged quickly in the last years. The evidence of a more complex and sophisticated drug market underlines the pressing need for new on-site methods to quickly detect precursors of synthetic drugs, with electrochemical analysis as a promising technique. Herein, the electrochemical fingerprints of ten common ATS precursors-3-oxo-2-phenylbutanenitrile (APAAN), 3-oxo-2-phenylbutanamide (APAA), methyl 3-oxo-2-phenylbutanoate (MAPA), benzyl methyl ketone (BMK), 1-(1,3-benzodioxol-5-yl)propan-2-one (PMK), ephedrine, pseudoephedrine, safrole, sassafras oil and piperonal- are reported for the first time. The electrochemical screening disclosed the redox inactivity of BMK, which is an essential starting material for the production of ATS. Therefore, the local derivatization of BMK at an electrode surface by reductive amination is presented as a feasible solution to enrich its electrochemical fingerprint. To prove that, the resulting mixture was analyzed using a set of chromatographic techniques to understand the reaction mechanism and to identify possible electrochemical active products. Two reaction products (i.e. methamphetamine and 1-phenylpropan-2-ol) were found and characterized using mass spectrometry and electrochemical methods. Subsequently, the optimization of the reaction parameters was carefully addressed to set the portable electrochemical sensing strategy. Ultimately, the analysis concept was validated for the qualitative identification of ATS precursors in seizures from a forensic institute. Overall, the electrochemical approach demonstrates to be a useful and affordable analytical tool for the early identification of ATS precursors to prevent trafficking and drug manufacture in clandestine laboratories.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000914833800003 Publication Date 2022-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access OpenAccess
Notes Approved no
Call Number UA @ admin @ c:irua:191622 Serial 8858
Permanent link to this record
 

 
Author (up) Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B.
Title Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal
Volume 3 Issue 2 Pages 024001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458161800001 Publication Date 2019-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:157499 Serial 5235
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Author (up) Moors, K.; Soree, B.; Tokei, Z.; Magnus, W.
Title Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes Type P1 Proceeding
Year 2015 Publication On Ultimate Integration On Silicon (eurosoi-ulis) Abbreviated Journal
Volume Issue Pages 201-204
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease.
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 978-1-4799-6911-1 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:144776 Serial 4651
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Author (up) Moro, G.; De Wael, K.; Moretto, L.M.
Title Challenges in the electrochemical (bio)sensing of non-electroactive food and environmental contaminants Type A1 Journal article
Year 2019 Publication Current opinion in electrochemistry Abbreviated Journal
Volume 16 Issue 16 Pages 57-65
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The electrochemical detection of non-electroactive contaminants can be successfully faced via the use of indirect detection strategies. These strategies can provide sensitive and selective responses often coupled with portable and user-friendly analytical tools. Indirect detection strategies are usually based on the change in the signal of an electroactive probe, induced by the presence of the target molecule at a modified electrode. This critical review aims at addressing the developments in indirect electro-sensing strategies for non-electroactive contaminants in food and environmental analysis in the last years (2017-2019). Emphasis is given to the strategy design, the electrode modifiers used and the feasibility of technological transfer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000485814400010 Publication Date 2019-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2451-9103; 2451-9111 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:159574 Serial 5498
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Author (up) Moro, G.; Foumthuim, C.J.D.; Spinaci, M.; Martini, E.; Cimino, D.; Balliana, E.; Lieberzeit, P.; Romano, F.; Giacometti, A.; Campos, R.; De Wael, K.; Moretto, L.M.
Title How perfluoroalkyl substances modify fluorinated self-assembled monolayer architectures : an electrochemical and computational study Type A1 Journal article
Year 2022 Publication Analytica chimica acta Abbreviated Journal
Volume 1204 Issue Pages 339740-12
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract There is an urgent need for sensing strategies to screen perfluoroalkyl substances (PFAS) in aqueous matrices. These strategies must be applicable in large-scale monitoring plans to face the ubiquitous use of PFAS, their wide global spread, and their fast evolution towards short-chain, branched molecules. To this aim, the changes in fluorinated self-assembled monolayers (SAM) with different architectures (pinholes/defects-free and with randomized pinholes/defects) were studied upon exposure to both long and short-chain PFAS. The applicability of fluorinated SAM in PFAS sensing was evaluated. Changes in the SAM structures were characterised combining electrochemical impedance spectroscopy and voltam-metric techniques. The experimental data interpretation was supported by molecular dynamics simu-lations to gain a more in-depth understanding of the interaction mechanisms involved. Pinhole/defect-free fluorinated SAM were found to be applicable to long-chain PFAS screening within switch-on sensing strategy, while a switch-off sensing strategy was reported for screening of both short/long-chain PFAS. These strategies confirmed the possibility to play on fluorophilic interactions when designing PFAS screening methods.(c) 2022 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000789493000010 Publication Date 2022-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; 1873-4324 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved no
Call Number UA @ admin @ c:irua:188658 Serial 8880
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Author (up) Moropoulou, A.; Bisbikou, K.; Torfs, K.; Van Grieken, R.
Title Atmospheric deposition as decay factor for the Demeter sanctuary ruins in the industrial atmosphere of Eleusis, Greece Type A1 Journal article
Year 1998 Publication Environmental technology Abbreviated Journal
Volume 19 Issue Pages 1039-1047
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000076784500007 Publication Date 2008-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-3330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:22776 Serial 7523
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Author (up) Moropoulou, A.; Bisbikou, K.; Torfs, K.; Van Grieken, R.
Title Risk analysis for the protection of cultural heritage from industrial pollution Type H3 Book chapter
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 475-484 T2 - Structural studies, repairs and maint
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:27598 Serial 8483
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Author (up) Moropoulou, A.; Bisbikou, K.; Torfs, K.; Van Grieken, R.; Zezza, F.; Macri, F.
Title Origin and growth of weathering crusts on ancient marbles in industrial atmosphere Type A1 Journal article
Year 1998 Publication Atmospheric environment : an international journal Abbreviated Journal
Volume 32 Issue Pages 967-982
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000073710900002 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310 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:20964 Serial 8348
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Author (up) Moropoulou, A.; Bisbikou, K.; Van Grieken, R.; Torfs, K.; Polikreti, K.
Title Correlation between aerosols, deposits, and weathering crusts on ancient marbles Type A1 Journal article
Year 2001 Publication Environmental technology Abbreviated Journal
Volume 22 Issue Pages 607-618
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000169968300001 Publication Date 2008-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-3330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:36081 Serial 7734
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Author (up) Moropoulou, A.; Cakmak, A.; Labropoulos, K.C.; Van Grieken, R.; Torfs, K.
Title Accelerated microstructural evolution of a calcium-silicate-hydrate (C-S-H) phase in pozzolanic pastes using fine siliceous sources: comparison with historic pozzolanic mortars Type A1 Journal article
Year 2004 Publication Cement and concrete research Abbreviated Journal
Volume 34 Issue Pages 1-6
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000224016100001 Publication Date 2003-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-8846 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:49510 Serial 7411
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Author (up) Moropoulou, A.; Koui, M.; Theoulakis, P.; Bakolas, A.; Roumpopoulos, K.; Michailidis, P.; Van Grieken, R.; Cardell-Fernandez, C.
Title Microstructural criteria for the evaluation of stone susceptibility to sea-salt decay Type P3 Proceeding
Year 2002 Publication Abbreviated Journal
Volume Issue Pages
Keywords P3 Proceeding; 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:36681 Serial 8249
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Author (up) Mortier, S.T.F.C.; Van Hoey, S.; Cierkens, K.; Gernaey, K.V.; Seuntjens, P.; De Baets, B.; De Beer, T.; Nopens, I.
Title A GLUE uncertainty analysis of a drying model of pharmaceutical granules Type A1 Journal article
Year 2013 Publication European journal of pharmaceutics and biopharmaceutics Abbreviated Journal
Volume 85 Issue 3:b Pages 984-995
Keywords A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A shift from batch processing towards continuous processing is of interest in the pharmaceutical industry. However, this transition requires detailed knowledge and process understanding of all consecutive unit operations in a continuous manufacturing line to design adequate control strategies. This can be facilitated by developing mechanistic models of the multi-phase systems in the process. Since modelling efforts only started recently in this field, uncertainties about the model predictions are generally neglected. However, model predictions have an inherent uncertainty (i.e. prediction uncertainty) originating from uncertainty in input data, model parameters, model structure, boundary conditions and software. In this paper, the model prediction uncertainty is evaluated for a model describing the continuous drying of single pharmaceutical wet granules in a six-segmented fluidized bed drying unit, which is part of the full continuous from-powder-to-tablet manufacturing line (Consigma (TM), GEA Pharma Systems). A validated model describing the drying behaviour of a single pharmaceutical granule in two consecutive phases is used. First of all, the effect of the assumptions at the particle level on the prediction uncertainty is assessed. Secondly, the paper focuses on the influence of the most sensitive parameters in the model. Finally, a combined analysis (particle level plus most sensitive parameters) is performed and discussed. To propagate the uncertainty originating from the parameter uncertainty to the model output, the Generalized Likelihood Uncertainty Estimation (GLUE) method is used. This method enables a modeller to incorporate the information obtained from the experimental data in the assessment of the uncertain model predictions and to find a balance between model performance and data precision. A detailed evaluation of the obtained uncertainty analysis results is made with respect to the model structure, interactions between parameters and uncertainty boundaries. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000330200800019 Publication Date 2013-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0939-6411 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:114876 Serial 8005
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Author (up) Mozo, I.; Lacoste, L.; Aussenac, J.; De Cocker, P.; Vlaeminck, S.E.; Sperandio, M.; Caligaris, M.; Barillon, B.; Martin Ruel, S.
Title Overcoming the challenges for mainstream deammonification on municipal wastewater in warm and cold areas Type P3 Proceeding
Year 2016 Publication Abbreviated Journal
Volume Issue Pages 3 p. T2 - 13th IWA Leading-Edge Conference on Wate
Keywords P3 Proceeding; Engineering sciences. Technology; 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 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151137 Serial 8351
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Author (up) Mozo, I.; Lacoste, L.; Aussenac, J.; De Cocker, P.; Vlaeminck, S.E.; Sperandio, M.; Caligaris, M.; Barillon, B.; Martin Ruel, S.
Title Towards application of mainstream deammonification on municipal wastewater in warm and cold areas Type P3 Proceeding
Year 2016 Publication Abbreviated Journal
Volume Issue Pages 4 p. T2 - WEF/IWA Nutrient Removal and Recovery Co
Keywords P3 Proceeding; Engineering sciences. Technology; 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 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151136 Serial 8679
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