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Author Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S.
Title Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons Type A1 Journal article
Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 97 Issue 23 Pages 233109,1-233109,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000285364000067 Publication Date 2010-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 43 Open Access
Notes (down) ; The financial supports by the Vice-Chancellor's Postdoctoral Research Fellowship Program of the University of New South Wales (SIR50/PS19184), the Flemish Science Foundation (FWO-VI), and the Belgian Science Policy (IAP) are acknowledged. A.D.H. acknowledges also support from ANPCyT (Grant No. PICT2008-2236) and the collaborative project FWO-MINCyT (FW/08/01). ; Approved Most recent IF: 3.411; 2010 IF: 3.841
Call Number UA @ lucian @ c:irua:86972 Serial 1056
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Author Benito, P.; Monti, M.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al.
Title Improvement in the coating homogeneity in electrosynthesized Rh structured catalysts for the partial oxidation of methane Type A1 Journal article
Year 2015 Publication Catalysis today Abbreviated Journal Catal Today
Volume 246 Issue Pages 154-164
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The precipitation of Rh/Mg/Al and Rh/Al hydroxides on the surface of FeCrAlloy foams by a base electrogeneration method was investigated to improve the properties of the deposited film (homogeneity and composition) and therefore the performances of the structured catalysts, obtained by calcination, in the Catalytic Partial Oxidation of CH4 to syngas. The work focussed on decreasing current gradients within open-cell foam cylinders by increasing the number of electrical contacts from 1 to 3 points to promote a more homogeneous precipitation of the hydroxides. Electrochemical and catalytic tests as well as SEM/EDS and mu-XRFIXRD analyses allowed to correlate the effect of the number of electrical contact points with materials properties. Lastly, syntheses were performed on Pt plates to study the effect of the electrical behaviour and shape of the support on the composition of the film. A more homogeneous coating of the foam surface was achieved by adopting a configuration with 3 contact points since the reduction of nitrates and water molecules that generates the basic media in the vicinity of the support was enhanced. Layer thicknesses up to 5-15 mu m were deposited; however, the sequential precipitation of a film with composition closer to the expected one and a layer enriched in Al and Rh (outer layer) was not avoided. The improvement in the coating gave rise to enhanced performances for a sample prepared at -1.1 V for 3000 s. Contrarily, the low adherence of the outer layer in a sample prepared at -1.2 V for 2000 s during both calcination and catalytic tests may be responsible of the unexpected decrease in catalytic performances. The same sequential precipitation was observed by performing the syntheses on Pt plates, showing that the electrical nature the support did not play a key role on this phenomenon. (C) 2014 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000349998300020 Publication Date 2014-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 14 Open Access
Notes (down) ; The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. The authors thank D. Grolimund and C.N. Borca for assisting the mu XRF/XRD conducted experiments at MicroXAS Beamline of SLS Thanks are due to Porvair for supplying FeCrAlloy foams. ; Approved Most recent IF: 4.636; 2015 IF: 3.893
Call Number UA @ admin @ c:irua:124616 Serial 5656
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Author Lin, F.; Meng, X.; Kukueva, E.; Kus, M.; Mertens, M.; Bals, S.; Van Doorslaer, S.; Cool, P.
Title Novel method to synthesize highly ordered ethane-bridged PMOs under mild acidic conditions : taking advantages of phosphoric acid Type A1 Journal article
Year 2015 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 207 Issue 207 Pages 61-70
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Highly ordered SBA-15-type ethane-bridged PMOs have been obtained by employing H3PO4 as acid to tune the pH in the presence of copolymer surfactant P123. The effects of the acidity and the addition of inorganic salt on the formation of the mesostructure are investigated. It is found that, compared with HCl, the polyprotic weak acid H3PO4 is preferable for the synthesis of highly ordered SBA-15-type ethane-bridged PMOs with larger pore size and surface areas under mild acidic conditions. Moreover, taking the advantages of the mild acidic condition, vanadium-containing SBA-15-type ethane-bridged PMOs were successfully prepared through a direct synthesis approach. The XRD, N2-sorption, UVVis and CW-EPR studies of the V-PMO show that part of the vanadium species are present in polymeric (VOV)n clusters, while part of the vanadium centers are well-dispersed and immobilized on the inner surface of the mesopores.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000350518600009 Publication Date 2015-01-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited 5 Open Access OpenAccess
Notes (down) ; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F.Lin. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structure-activity relation in nanoporous materials', funded by the University of Antwerp. ; Approved Most recent IF: 3.615; 2015 IF: 3.453
Call Number c:irua:123910 Serial 2379
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Author Lin, F.; Meng; Kukueva, E.; Mertens, M.; Van Doorslaer, S.; Bals, S.; Cool, P.
Title New insights into the mesophase transformation of ethane-bridged PMOs by the influence of different counterions under basic conditions Type A1 Journal article
Year 2015 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 5 Issue 5 Pages 5553-5562
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract The counterions are of crucial importance in determining the mesostructure and morphology of ethanebridged PMO materials synthesized under basic conditions. By using CTABr as the surfactant, the final PMO materials show a 2-D hexagonal (p6mm) mesophase, while PMO materials with cubic (Pm (3) over barn ) mesostructure are obtained when CTACl or CTA(SO4)(1)/(2) are used. With gradually replacing CTABr by CTACl or CTA(SO4) (1)/(2) while keeping the total surfactant concentration constant, a clear p6mm to Pm (3) over barn 3n mesophase evolution process is observed. For a given gel composition, the mesophase of ethanebridged PMO materials can also be adjusted by the addition of different sodium salts. In short, the effect of the counterions on the mesophase can be attributed to the binding strength of the ions on the surfactant micelles, which follows the Hofmeister series (SO42- < Cl- < Br-< NO3- < SCN-). Furthermore, it is found that the hydrolysis and condensation rate of the organosilica precursor also plays an important role in the formation of the final mesostructure
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347304900010 Publication Date 2014-12-11
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 3.108 Times cited 6 Open Access Not_Open_Access
Notes (down) ; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F. L. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structureactivity relation in nanoporous materials', funded by the University of Antwerp. ; Approved Most recent IF: 3.108; 2015 IF: 3.840
Call Number c:irua:123768 Serial 2317
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Author Canossa, S.; Graiff, C.; Crocco, D.; Predieri, G.
Title Water structures and packing efficiency in methylene blue cyanometallate salts Type A1 Journal article
Year 2020 Publication Crystals Abbreviated Journal Crystals
Volume 10 Issue 7 Pages 558
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Crystal structure prediction is the holy grail of crystal engineering and is key to its ambition of driving the formation of solids based on the selection of their molecular constituents. However, this noble quest is hampered by the limited predictability of the incorporation of solvent molecules, first and foremost the ubiquitous water. In this context, we herein report the structure of four methylene blue cyanometallate phases, where anions with various shapes and charges influence the packing motif and lead to the formation of differently hydrated structures. Importantly, water molecules are observed to play various roles as isolated fillings, dimers, or an infinite network with up to 13 water molecules per repeating unit. Each crystal structure has been determined by single-crystal X-ray diffraction and evaluated with the aid of Hirshfeld surface analysis, focussing on the role of water molecules and the hierarchy of different classes of interactions in the overall supramolecular landscape of the crystals. Finally, the collected pieces of evidence are matched together to highlight the leading role of MB stacking and to derive an explanation for the observed hydration diversity based on the structural role of water molecules in the crystal architecture.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000554226900001 Publication Date 2020-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4352 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.566 Times cited Open Access OpenAccess
Notes (down) ; The Elettra Synchrotron (CNR Trieste) is gratefully acknowledged for the beamtime allocated at the beamline XRD1 (proposal nr 20175216). S.C. acknowledges the Research Foundation Flanders (FWO) for supporting his research (grant nr. 12ZV120N). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:171279 Serial 6653
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Author Müller-Caspary, K.; Krause, F.F.; Winkler, F.; Béché, A.; Verbeeck, J.; Van Aert, S.; Rosenauer, A.
Title Comparison of first moment STEM with conventional differential phase contrast and the dependence on electron dose Type A1 Journal article
Year 2019 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 203 Issue 203 Pages 95-104
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study addresses the comparison of scanning transmission electron microscopy (STEM) measurements of momentum transfers using the first moment approach and the established method that uses segmented annular detectors. Using an ultrafast pixelated detector to acquire four-dimensional, momentum-resolved STEM signals, both the first moment calculation and the calculation of the differential phase contrast (DPC) signals are done for the same experimental data. In particular, we investigate the ability to correct the segment-based signal to yield a suitable approximation of the first moment for cases beyond the weak phase object approximation. It is found that the measurement of momentum transfers using segmented detectors can approach the first moment measurement as close as 0.13 h/nm in terms of a root mean square (rms) difference in 10 nm thick SrTiO3 for a detector with 16 segments. This amounts to 35% of the rms of the momentum transfers. In addition, we present a statistical analysis of the precision of first moment STEM as a function of dose. For typical experimental settings with recent hardware such as a Medipix3 Merlin camera attached to a probe-corrected STEM, we find that the precision of the measurement of momentum transfers stagnates above certain doses. This means that other instabilities such as specimen drift or scan noise have to be taken into account seriously for measurements that target, e.g., the detection of bonding effects in the charge density.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000465021000013 Publication Date 2018-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 25 Open Access OpenAccess
Notes (down) ; The direct electron detector (Medipix3 Merlin) was funded by the Hercules fund from the Flemish Government. K. Muller-Caspary acknowledges funding from the Initiative and Network Fund of the Helmholtz Association within the framework of the Helmholtz Young Investigator Group moreSTEM (VH-NG-1317) at Forschungszentrum Julich, Germany. F. F. Krause acknowledges funding from the Central Research Development Fund of the University of Bremen, Germany. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 770887). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) and the Research Fund of the University of Antwerp. ; Approved Most recent IF: 2.843
Call Number UA @ admin @ c:irua:160213 Serial 5242
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Author Lizin, S.; Van Dael, M.; Van Passel, S.; Van Dael, M.
Title Battery pack recycling : behaviour change interventions derived from an integrative theory of planned behaviour study Type A1 Journal article
Year 2017 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy
Volume 122 Issue Pages 66-82
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Belgium has passed the 45% cap, mandated by the European Union, by achieving a collection rate of over 50% in 2012. Having such a collection rate, Belgium is amongst the frontrunners in battery recycling in Europe. However, despite the efforts, about 40% of used batteries are still not properly collected. Particularly troublesome according to the national producer responsibility organization are the battery packs. In this paper we therefore investigate the drivers and barriers to battery pack drop-off intention perceived by Belgian households using an integrative model based on the Theory of Planned Behaviour. An R2 of 0.64 was found, which according to the literature on partial least squares structural equation modelling signals a moderate yet very close to substantial coefficient of determination. We find that on average perceived behavioural control and moral norms have the largest influence on the intention to drop-off used battery packs as quickly as possible. Based on the insights gained, recommendations are made for both behaviour change interventions and future research.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401881300007 Publication Date 2017-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 3.313 Times cited 21 Open Access
Notes (down) ; The corresponding author wishes to thank the Research Foundation Flanders (FWO) for granting him a postdoctoral grant [grant number: 12G5415N]. Furthermore, the second author wishes to express her gratitude for funding her to the SUMMA policy platform. Furthermore, we wish to express our sincere gratitude to Peter Coonen and Nele Peeters of Bebat for their time and willingness to share information with us. ; Approved Most recent IF: 3.313
Call Number UA @ admin @ c:irua:140681 Serial 6159
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Author Rahemi, V.; Sarmadian, N.; Anaf, W.; Janssens, K.; Lamoen, D.; Partoens, B.; De Wael, K.
Title Unique opto-electronic structure and photo reduction properties of sulfur doped lead chromates explaining their instability in paintings Type A1 Journal article
Year 2017 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 89 Issue 89 Pages 3326-3334
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Chrome yellow refers to a group of synthetic inorganic pigments that became popular as an artists material from the second quarter of the 19th century. The color of the pigment, in which the chromate ion acts as a chromophore, is related to its chemical composition (PbCr1-xSxO4, with 0≤x≤0.8) and crystalline structure (monoclinic/orthorhombic). Their shades range from the yellow-orange to the paler yellow tones with increasing sulfate amount. These pigments show remarkable signs of degradation after limited time periods. Pure PbCrO4 (crocoite in its natural form) has a deep yellow color and is relatively stable, while the co-precipitate with lead sulfate (PbCr1-xSxO4) has a paler shade and seems to degrade faster. This degradation is assumed to be related to the reduction of Cr(VI) to Cr(III). We show that on increasing the sulfur(S)-content in chrome yellow, the band gap increases. Typically, when increasing the band gap, one might assume that a decrease in photo activity is the result. However, the photo activity relative to the Cr content, and thus Cr reduction, of sulfur-rich PbCr1-xSxO4 is found to be much higher compared to the sulfur-poor or non-doped lead chromates. This discrepancy can be explained by the evolution of the crystal and electronic structure as function of the sulfur content: first-principles density functional theory calculations show that both the absorption coefficient and reflection coefficients of the lead chromates change as a result of the sulfate doping in such a way that the generation of electron-hole pairs under illumination relative to the total Cr content increases. These changes in the material properties explain why paler shade yellow colors of this pigment are more prone to discoloration. The electronic structure calculations also demonstrate that lead chromate and its co-precipitates are p-type semiconductors, which explains the observed reduction reaction. As understanding this phenomenon is valuable in the field of cultural heritage, this study is the first joint action of photo-electrochemical measurements and first-principles calculations to approve the higher tendency of sulfur-rich lead chromates to darken.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000397478300015 Publication Date 2017-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 7 Open Access OpenAccess
Notes (down) ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government, department EWI. The BOF-GOA action SOLARPAINT of the University of Antwerp Research Council is acknowledged for financial support. W.A. acknowledges support from BELSPO project S2-ART. Dr. L. Monico and Dr. C. Miliani (ISTM, Perugia) are gratefully acknowledged for helpful discussions and for providing some of the initial batches of the materials studied. ; Approved Most recent IF: 6.32
Call Number UA @ lucian @ c:irua:140886 Serial 4451
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Author Pandey, T.; Covaci, L.; Peeters, F.M.
Title Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization Type A1 Journal article
Year 2021 Publication Carbon Abbreviated Journal Carbon
Volume 171 Issue Pages 551-559
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on the applied strain gradient is found. The inferior flexoelectric properties of graphene nanoribbons can be improved by more than two orders of magnitude by hydrogen and fluorine functionalization (CH and CF nanoribbons). A large out of plane flexoelectric effect is predicted for CF nanoribbons. The origin of this enhancement lies in the electro-negativity difference between carbon and fluorine atoms, which breaks the out of plane charge symmetry even for a small strain gradient. The flexoelectric effect can be further improved by co-functionalization with hydrogen and fluorine (CHF Janus-type nanoribbon), where a spontaneous out of plane dipole moment is formed even for flat nanoribbons. We also find that bending can control the charge localization of valence band maxima and therefore enables the tuning of the hole effective masses and band gaps. These results present an important advance towards the understanding of flexoelectric and electronic properties of hydrogen and fluorine functionalized graphene nanoribbons, which can have important implications for flexible electronic applications. (C) 2020 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000598371500058 Publication Date 2020-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 15 Open Access OpenAccess
Notes (down) ; The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Flemish Science Foundation (FWO-VI). T. P. is supported by a postdoctoral research fellowship from BOF-UAntwerpen. ; Approved Most recent IF: 6.337
Call Number UA @ admin @ c:irua:175014 Serial 6700
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Author Shylau, A.A.; Badalyan, S.M.; Peeters, F.M.; Jauho, A.P.
Title Electron polarization function and plasmons in metallic armchair graphene nanoribbons Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 205444
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Plasmon excitations in metallic armchair graphene nanoribbons are investigated using the random phase approximation. An exact analytical expression for the polarization function of Dirac fermions is obtained, valid for arbitrary temperature and doping. We find that at finite temperatures, due to the phase space redistribution among inter-band and intra-band electronic transitions in the conduction and valence bands, the full polarization function becomes independent of temperature and position of the chemical potential. It is shown that for a given width of nanoribbon there exists a single plasmon mode whose energy dispersion is determined by the graphene's fine structure constant. In the case of two Coulomb-coupled nanoribbons, this plasmon splits into in-phase and out-of-phase plasmon modes with splitting energy determined by the inter-ribbon spacing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000355315400007 Publication Date 2015-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 13 Open Access
Notes (down) ; The Center for Nanostructured Graphene (CNG) is sponsored by the Danish National Research Foundation (DNRF58). The work at the University of Antwerp was supported by the Flemisch Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. S.M.B. gratefully acknowledges hospitality and support from the Department of Physics at the University of Missouri. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126403 Serial 984
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Author Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H.
Title Bilayer SnS2 : tunable stacking sequence by charging and loading pressure Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 125403
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000371405000005 Publication Date 2016-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 38 Open Access
Notes (down) ; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:132345 Serial 4144
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Author Kurttepeli, M.; Locus, R.; Verboekend, D.; de Clippel, F.; Breynaert, E.; Martens, J.; Sels, B.; Bals, S.
Title Synthesis of aluminum-containing hierarchical mesoporous materials with columnar mesopore ordering by evaporation induced self assembly Type A1 Journal article
Year 2016 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 234 Issue 234 Pages 186-195
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The incorporation of aluminum into the silica columns of hierarchical mesoporous materials (HMMs) was studied. The HMMs were synthesized by a combination of hard and soft templating methods, forming mesoporous SBA-15-type silica columns inside the pores of anodic aluminum oxide membranes via evaporation induced self-assembly (EISA). By adding Al-isopropoxide to the EISA-mixture a full tetrahedral incorporation of Al and thus the creation of acid sites was achieved, which was proved by nuclear magnetic resonance spectroscopy. Electron microscopy showed that the use of Al-isopropoxide as an Al source for the HMMs led to a change in the mesopore ordering of silica material from circular hexagonal (donut-like) to columnar hexagonal and a 37% increase in specific surface (BET surface). These results were confirmed by a combination of nitrogen physisorption and small-angle X-ray scattering experiments and can be attributed to a swelling of the P123 micelles with isopropanol. The columnar mesopore ordering of silica is advantageous towards the pore accessibility and therefore preferential for many possible applications including catalysis and adsorption on the acid tetrahedral Al-sites. (C) 2016 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000383291400020 Publication Date 2016-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited 5 Open Access OpenAccess
Notes (down) ; The Belgian government (Belgian Science Policy Office, Belspo) is acknowledged for financing the Interuniversity Attraction Poles (IAP-PAI). S. B. acknowledges the financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). D. V. acknowledges the Flanders Research Foundation (FWO). ; ecas_Sara Approved Most recent IF: 3.615
Call Number UA @ lucian @ c:irua:137108 Serial 4404
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Author Alfeld, M.; Janssens, K.
Title Strategies for processing mega-pixel X-ray fluorescence hyperspectral data: a case study on a version of Caravaggio's painting Supper at Emmaus Type A1 Journal article
Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 30 Issue 3 Pages 777-789
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Technical progress in the fields of X-ray sources, optics and detectors is constantly enhancing the pace of data acquisition in XRF imaging. This enlarges the size of the hyperspectral datasets and the number of their sub-parts. This paper describes the challenges in processing large XRF datasets featuring several million pixels/spectra and the strategies developed to overcome them. During the investigation of historical paintings by scanning macro-XRF the main challenges are the correct identification of all spectral features in a dataset and its timely processing. For the identification of spectral features different approaches are discussed, i.e. the use of sum spectra, maximum pixel spectra and of chi(2)(r) maps. For the time-efficient, artefact-free evaluation of XRF imaging data, different software packages are evaluated and intercompared (AXIL, PyMCA, GeoPIXE and the in-house written datamuncher). The process of data evaluation is illustrated on a large dataset (3.4 MPixels) acquired during the investigation of a version of Caravaggio's Supper at Emmaus (143 x 199.5 cm(2)). This 17th century painting is currently the largest object entirely scanned with macroscopic XRF.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000350650800026 Publication Date 2015-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 67 Open Access
Notes (down) ; The authors would like to thank W. de Nolf, A. Rothkirch, C. Ryan, A. Sole, B. Vekemans, P. van Espen and L. Vincze for their fruitful discussions over the years. Furthermore, the authors thank D. Swetzoff for his support. M. Alfeld was from 2009 to 2013 the recipient of a Ph.D. fellowship of the Research Foundation-Flanders (FWO, Brussels). ; Approved Most recent IF: 3.379; 2015 IF: 3.466
Call Number UA @ admin @ c:irua:125477 Serial 5848
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Author Adam, N.; Leroux, F.; Knapen, D.; Bals, S.; Blust, R.
Title The uptake and elimination of ZnO and CuO nanoparticles in Daphnia magna under chronic exposure scenarios Type A1 Journal article
Year 2015 Publication Water research Abbreviated Journal Water Res
Volume 68 Issue 68 Pages 249-261
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Veterinary physiology and biochemistry
Abstract In this study, the uptake and elimination of ZnO and CuO nanoparticles in Daphnia magna was tested. Daphnids were exposed during 10 days to sublethal concentrations of ZnO and CuO nanoparticles and corresponding metal salts (ZnCl2 and CuCl2.2H2O), after which they were transferred to unexposed medium for another 10 days. At different times during the exposure and none-exposure, the total and internal zinc or copper concentration of the daphnids was determined and the nanoparticles were localized in the organism using electron microscopy. The exposure concentrations were characterized by measuring the dissolved, nanoparticle and aggregated fraction in the medium. The results showed that the ZnO nanoparticles quickly dissolved after addition to the medium. Contrarily, only a small fraction (corresponding to the dissolved metal salt) of the CuO nanoparticles dissolved, while most of these nanoparticles formed large aggregates. Despite an initial increase in zinc and copper concentration during the first 48 hour to 5 day exposure, the body concentration reached a plateau level that was comparable for the ZnO nanoparticles and ZnCl2, but much higher for the CuO nanoparticles (with visible aggregates accumulating in the gut) than CuCl2.2H2O. During the remaining exposure and subsequent none-exposure phase, the zinc and copper concentration decreased fast to concentrations comparable with the unexposed daphnids. The results indicate that D. magna can regulate its internal zinc and copper concentration after exposure to ZnO and CuO nanoparticles, similar as after exposure to metal salts. The combined dissolution, accumulation and toxicity results confirm that the toxicity of ZnO and CuO nanoparticles is caused by the dissolved fraction. Keywords nano; zinc; copper; dissolution; aggregation; electron microscopy
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000347756900022 Publication Date 2014-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0043-1354; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.942 Times cited 51 Open Access OpenAccess
Notes (down) ; The authors would like to thank Valentine Mubiana and Steven Joosen (Sphere, UA) for performing the ICP-MS and ICP-OES measurements and Prof. Dr. Gustaaf Van Tendeloo for making the collaboration between the EMAT and Sphere group possible. This study is part of the ENNSATOX-project, which was funded by the EU (NMP4-SL-2009-229244). The authors report no conflicts of interest. ; Approved Most recent IF: 6.942; 2015 IF: 5.528
Call Number c:irua:119366 c:irua:119366 Serial 3822
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Author de Nolf, W.; Vanmeert, F.; Janssens, K.
Title XRDUA : crystalline phase distribution maps by two-dimensional scanning and tomographic (micro) X-ray powder diffraction Type A1 Journal article
Year 2014 Publication Journal of applied crystallography Abbreviated Journal
Volume 47 Issue 3 Pages 1107-1117
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Imaging of crystalline phase distributions in heterogeneous materials, either plane projected or in virtual cross sections of the object under investigation, can be achieved by scanning X-ray powder diffraction employing X-ray micro beams and X-ray-sensitive area detectors. Software exists to convert the two-dimensional powder diffraction patterns that are recorded by these detectors to one-dimensional diffractograms, which may be analysed by the broad variety of powder diffraction software developed by the crystallography community. However, employing these tools for the construction of crystalline phase distribution maps proves to be very difficult, especially when employing micro-focused X-ray beams, as most diffraction software tools have mainly been developed having structure solution in mind and are not suitable for phase imaging purposes. XRDUA has been developed to facilitate the execution of the complete sequence of data reduction and interpretation steps required to convert large sequences of powder diffraction patterns into a limited set of crystalline phase maps in an integrated fashion.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336738500031 Publication Date 2014-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8898 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 62 Open Access
Notes (down) ; The authors would like to thank the synchrotron beamline staff at ID15 (ESRF, Grenoble, France), MicroXAS (SLS, Villigen, Switzerland) and PO6/BL-L (Petra III/Hasylab, Hamburg, Germany) for accommodating the experiments presented in this paper. Support from FWO 'Big Science' project G0C1213N as well as from the BELSPO project 'S2ART' (SD/RI/04A) is acknowledged. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:117758 Serial 5920
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Author Biely, K.; Maes, D.; Van Passel, S.
Title The idea of weak sustainability is illegitimate Type A1 Journal article
Year 2018 Publication Environment, development and sustainability Abbreviated Journal
Volume 20 Issue 1 Pages 223-232
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Since the introduction of the sustainability challenge, scientists disagree over the interpretation of the term sustainability. Weak and strong sustainability are the two main interpretations of sustainability, which are opposing each other. Some researchers stated that the interpretation of the term depends on the context; others disagree pointing out that it always implies the meaning of continuation. The term sustainability can be used as attribute, which adds a certain characteristic to the noun. If something can be attributed as being sustainable, it can also be unsustainable. The sustainability challenge consists of shifting from the current unsustainable towards a sustainable system. This paper outlines that the weak sustainability term is illegitimate, as it leads to a contradiction with the acknowledged assumption that the current state is unsustainable. This contradiction is revealed through an analysis of the occurrence of decoupling in agriculture: Agricultural land use could be decoupled from agricultural production, but only with the trade-off of massive increases in fertilizer, pesticide, energy and water usage. This paper outlines an inherent inconsistency within the ongoing discussion about the interpretation of sustainability. Through identifying the invalidity of the weak sustainability interpretation the focus can be shifted form the discourse to the sustainability challenge itself.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000423142700011 Publication Date 2016-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-585x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes (down) ; The authors would like to thank the reviewers for their time and their comments on the draft version. This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:149043 Serial 6212
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Author Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A.
Title Modelling environmental impacts of treated municipal wastewater reuse for tree crops irrigation in the Mediterranean coastal region Type A1 Journal article
Year 2019 Publication Science Of The Total Environment Abbreviated Journal Sci Total Environ
Volume 660 Issue 660 Pages 1513-1521
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Wastewater reuse provides valuable solutions to solve the societal challenges of decreasing availability and limiting access to secure water resources. The present study quantifies the environmental performance of nectarine orchards irrigation using treated municipal wastewater (TMW) and surface water using a unique dataset based on field experimental data. Climate change, toxicity (for human and freshwater), eutrophication (marine and freshwater) and acidification impacts were analysed using the impact assessment method suggested by the International Reference Life Cycle Data System (ILCD). The water footprint associated to the life cycles of each system has been estimated using the Available WAter REmaining (AWARE) method. Monte Carlo simulation was used to assess data uncertainty. The irrigation of nectarine orchards using TMW performs better than the irrigation using surface water for eutrophication impact categories. Compared with surface water resources, the potential impacts of TMW reuse in agriculture on climate change and toxicity are affected by the wastewater treatment phase (WWT). Only eutrophication and acidification burdens are generated by in-field substitution of surface water with TMW. Considering human and ecosystem water demand, the irrigation with TMW increases water consumption of 19.12 m3 per kg of nectarine produced. Whereas, it shows a positive contribution to water stress (−0.19 m3) if only human water demand is considered. This study provides important results that allow for a better understanding of the potential environmental consequences of TMW reuse in agriculture. It suggests that embracing the type of WWTs, the replacement of fertilizers, the effects on water scarcity and ecosystem quality might be useful to redefine water reuse regulations and increase public acceptance for the reuse of TMW in agriculture. Moreover, this study reveals the need for developing consensus and standardized guidance for life cycle analysis of water reuse applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000457725700145 Publication Date 2019-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited 4 Open Access
Notes (down) ; The authors would like to thank the EU, MIUR and FNRS for funding, in the frame of the collaborative international Consortium DESERT financed under the ERA-NET WaterWorks2014 Cofunded Call. This ERA-NET is an integral part of the 2015 Joint Activities developed by the “Water Challenges for a Changing World Joint Programme Initiative (Water JPI)”. G.A. Vivaldi would like to thank also the Regione Puglia for the support from the “Fondo di Sviluppo e Coesione” 2007-2013 – APQ Ricerca Regione Puglia “Programma regionale a sostegno della specializzazione intelligente e della sostenibilita sociale ed ambientale – FutureInResearch”. ; Approved Most recent IF: 4.9
Call Number UA @ admin @ c:irua:156931 Serial 6227
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Author Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A.
Title DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces Type A1 Journal article
Year 2016 Publication ChemCatChem Abbreviated Journal Chemcatchem
Volume 8 Issue 8 Pages 1208-1217
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373074900026 Publication Date 2016-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1867-3880 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.803 Times cited 8 Open Access
Notes (down) ; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; Approved Most recent IF: 4.803
Call Number c:irua:133236 Serial 4070
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Author Roose, D.; Leroux, F.; de Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; van der Linden, A.-M.; Bals, S.
Title Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale Type A1 Journal article
Year 2014 Publication Contrast media and molecular imaging Abbreviated Journal Contrast Media Mol I
Volume 9 Issue 6 Pages 400-408
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Bio-Imaging lab
Abstract In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1week and in the olfactory bulb at 9months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. Copyright (c) 2014 John Wiley Sons, Ltd.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000346172100001 Publication Date 2014-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1555-4309; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited 5 Open Access Not_Open_Access
Notes (down) ; The authors would like to thank Sofie Thys for her technical support. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001 and AUHA 11/01). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative no. 262348 European Soft Matter Infrastructure, ESMI), the Fund for Scientific Research- Flanders and the Flemish Institute for Science and Technology and the Belgian government through the Interuniversity Attraction Pole Program (IAP- PAI). ; Approved Most recent IF: 3.307; 2014 IF: 2.923
Call Number UA @ lucian @ c:irua:122750 Serial 2222
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Author Yasui, Y.; Lahabi, K.; Fernández Becerra, V.; Fermin, R.; Anwar, M.S.; Yonezawa, S.; Terashima, T.; Milošević, M.V.; Aarts, J.; Maeno, Y.
Title Spontaneous emergence of Josephson junctions in homogeneous rings of single-crystal Sr₂RuO₄ Type A1 Journal article
Year 2020 Publication npj Quantum Materials Abbreviated Journal
Volume 5 Issue 1 Pages 21-28
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The chiral p-wave order parameter in Sr2RuO4 would make it a special case amongst the unconventional superconductors. A consequence of this symmetry is the possible existence of superconducting domains of opposite chirality. At the boundary of such domains, the locally suppressed condensate can produce an intrinsic Josephson junction. Here, we provide evidence of such junctions using mesoscopic rings, structured from Sr2RuO4 single crystals. Our order parameter simulations predict such rings to host stable domain walls across their arms. This is verified with transport experiments on loops, with a sharp transition at 1.5 K, which show distinct critical current oscillations with periodicity corresponding to the flux quantum. In contrast, loops with broadened transitions at around 3 K are void of such junctions and show standard Little-Parks oscillations. Our analysis demonstrates the junctions are of intrinsic origin and makes a compelling case for the existence of superconducting domains.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000525721000001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 10 Open Access
Notes (down) ; The authors would like to thank S. Goswami, A. Singh, M. Kupryianov, S. Bakurskiy, J. Jobst, T. Nakamura, K. Adachi, Y. Liu, and Y. Asano for valuable discussions and comments, and F. Hubler, Y. Nakamura, and Y. Yamaoka for their technical contribution. This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “Topological Materials Science” (KAKENHI Grant Nos. JP15H05852, JP15K21717, JP15H05851), JSPS-EPSRC Core-to-Core program (A. Advanced Research Network), JSPS research fellow (KAKENHI Grant No. JP16J10404), Grant-in-Aid JSPS KAKENHI JP26287078 and JP17H04848, and the Netherlands Organisation for Scientific Research (NWO/OCW), as part of the Frontiers of Nanoscience program. V.F.B. acknowledges support from the Foundation for Polish Science through the IRA Programme co-financed by EU within SG OP. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168553 Serial 6613
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Author Vatanparast, M.; Egoavil, R.; Reenaas, T.W.; Verbeeck, J.; Holmestad, R.; Vullum, P.E.
Title Bandgap measurement of high refractive index materials by off-axis EELS Type A1 Journal article
Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 182 Issue Pages 92-98
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In the present work Cs aberration corrected and monochromated scanning transmission electron microscopy electron energy loss spectroscopy (STEM-EELS) has been used to explore experimental setups that allow bandgaps of high refractive index materials to be determined. Semi-convergence and collection angles in the mu rad range were combined with off-axis or dark field EELS to avoid relativistic losses and guided light modes in the low loss range to contribute to the acquired EEL spectra. Off-axis EELS further supressed the zero loss peak and the tail of the zero loss peak. The bandgap of several GaAs-based materials were successfully determined by simple regression analyses of the background subtracted EEL spectra. The presented set-up does not require that the acceleration voltage is set to below the. Cerenkov limit and can be applied over the entire acceleration voltage range of modern TEMs and for a wide range of specimen thicknesses. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000413436500013 Publication Date 2017-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 3 Open Access Not_Open_Access
Notes (down) ; The authors would like to thank Professor Shu Min Wang and Mahdad Sadeghi at the Nanofabrication Laboratory at Chalmers University, Sweden for providing the samples. The Norwegian Research Council is acknowledged for funding the HighQ-IB project under contract no. 10415201. M.V. and T.W.R. acknowledge funding from the EEA Financial Mechanism 2009-2014 under the project contract no 23SEE/30.06.2014. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2(Integrated Infrastructure Initiative-I3) through the system of transnational access. R.E. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. ; Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:146639UA @ admin @ c:irua:146639 Serial 4778
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Author Čukarić, N.; Tadić, M.; Peeters, F.M.
Title Electron and hole states in a quantum ring grown by droplet epitaxy. Influence of the layer inside the ring opening Type A1 Journal article
Year 2010 Publication Superlattices and microstructures Abbreviated Journal Superlattice Microst
Volume 48 Issue 5 Pages 491-501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic structure of the conduction and valence bands of a quantum ring containing a layer inside the ring opening is modeled This structure (nanocup) consists of a GaAs nanodisk (the cup s bottom) and a GaAs nanoring (the cup s rim) which encircles the disk The whole system is embedded in an (Al Ga)As matrix and its shape resembles realistic ring structures grown by the droplet epitaxy technique The conduction-band states in the structure are modeled by the single-band effective-mass theory while the 4-band Luttinger-Kohn model is adopted to compute the valence-band states We analyze how the electronic structure of the nanocup evolves from the one of a quantum ring when the size of either the nanodisk or the nanoring is changed For that purpose (1) the width of the ring (2) the disk radius and (3) the disk height are separately varied For dimensions typical for experimentally realized structures we find that the electron wavefunctions are mainly localized inside the ring even when the thickness of the Inner layer is 90% of the ring thickness These calculations indicate that topological phenomena like the excitonic Aharonov-Bohm effect are negligibly affected by the presence of the layer inside the ring (C) 2010 Elsevier Ltd All rights reserved
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000284521400005 Publication Date 2010-09-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0749-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.123 Times cited 9 Open Access
Notes (down) ; The authors would like to thank Prof B Partoens for useful discussions This work was supported by the EU NoE SANDiE the Ministry of Science of Serbia the Flemish Science Foundation (FWO-VI) and the Belgian Science Policy (IAP) ; Approved Most recent IF: 2.123; 2010 IF: 1.096
Call Number UA @ lucian @ c:irua:95551 Serial 906
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Author Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Côté, M.; Rignanese, G.-M.
Title G0W0 band gap of ZnO : effects of plasmon-pole models Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 24 Pages 241201-241201,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum rule gives less precise results. In particular, it confirms that the band gap of ZnO is underestimated in the G0W0 approach as compared to experiment, contrary to the recent claim of Shih et al. [ Phys. Rev. Lett. 105 146401 (2010)].
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000297766600001 Publication Date 2011-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 81 Open Access
Notes (down) ; The authors would like to thank P. Zhang, S. Louie, J. Deslippe, P. Rinke, H. Jiang, C. Friedrich, and F. Bruneval for many helpful discussions. We are also very grateful to Y. Pouillon, A. Jacques, and J.-M. Beuken for their technical aid and expertise. M.C. and G.A. would like to acknowledge the support of NSERC and FQRNT. This work was supported by the Interuniversity Attraction Poles program (P6/42)-Belgian State-Belgian Science Policy, the Flemish Science Foundation (FWO-Vl) ISIMADE project, the EU's 7th Framework programme through the ETSF I3 e-Infrastructure project (Grant Agreement No. 211956), the Communaute francaise de Belgique, through the Action de Recherche Concertee 07/ 12-003 “Nanosystemes hybrides metal-organiques”, and the FNRS through FRFC Project No. 2.4.589.09.F. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:93963 Serial 3533
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Author Pauwels, D.; Ching, H.Y.V.; Samanipour, M.; Neukermans, S.; Hereijgers, J.; Van Doorslaer, S.; De Wael, K.; Breugelmans, T.
Title Identifying intermediates in the reductive intramolecular cyclisation of allyl 2-bromobenzyl ether by an improved electron paramagnetic resonance spectroelectrochemical electrode design combined with density functional theory calculations Type A1 Journal article
Year 2018 Publication Electrochimica acta Abbreviated Journal Electrochim Acta
Volume 271 Issue 271 Pages 10-18
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
Abstract The electrochemical activation of C-X bonds requires very negative electrode potentials. Lowering the overpotentials and increasing the catalytic activity requires intensive electrocatalytic research. A profound understanding of the reaction mechanism and the influence of the electrocatalyst allows optimal tuning of the electrocatalyst. This can be achieved by combining electrochemical techniques with electron paramagnetic resonance (EPR) spectroscopy. Although this was introduced in the mid-twentieth century, the application of this combined approach in electrocatalytic research is underexploited. Several reasons can be listed, such as the limited availability of EPR instrumentation and electrochemical devices for such in situ experiments. In this work, a simple and inexpensive construction adapted for in situ EPR electrocatalytic research is proposed. The proof of concept is provided by studying a model reaction, namely the reductive cyclisation of allyl 2-bromobenzyl ether which has interesting industrial applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000430369800002 Publication Date 2018-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.798 Times cited 2 Open Access
Notes (down) ; The authors would like to thank Melissa Van Landeghem for her assistance with the experimental work and analysis of the data. Jonas Hereijgers greatly acknowledges the Research Foundation Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). H.Y. Vincent Ching gratefully acknowledges the University of Antwerp for a Post-Doctoral grant. Sabine Van Doorslaer and Tom Breugelmans acknowledge the FWO for research funding (research grant G093317N). ; Approved Most recent IF: 4.798
Call Number UA @ admin @ c:irua:150463 Serial 5652
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Author Daniels, S.; Bellmore, J.R.; Benjamin, J.R.; Witters, N.; Vangronsveld, J.; Van Passel, S.
Title Quantification of the indirect use value of functional group diversity based on the ecological role of species in the ecosystem Type A1 Journal article
Year 2018 Publication Ecological Economics Abbreviated Journal Ecol Econ
Volume 153 Issue 153 Pages 181-194
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract An important issue in biodiversity valuation is gaining a better understanding of how biodiversity conservation affects economic activities and human welfare. Quantifying the economic benefits of biodiversity for human well-being is not straightforward. Here, we expand the ecosystem service cascade by (i) attributing a methodology to the different steps of the cascade to assess the effects of changes in functional group diversity on economic activities; (ii) including multiple attributes for defining functional diversity and (iii) integrating a dynamic ecological model simulating complex interactions and feedbacks between species with an economic model assessing the effects of changes in functional group diversity for gross revenues. The stepwise methodological framework integrates a production function approach with a market price-based approach in order to investigate the indirect use value of functional group diversity based on the ecological role of species in the ecosystem. The methodology is applied to estimate the relationship between the gross economic value of Chinook salmon (Pacific Northwest, United States) and the diversity of freshwater macroinvertebrates. The results of our analysis emphasize the importance of biological diversity for sustaining ecosystem goods and services. The analysis provides a tractable framework for quantitatively exploring the economic consequences of changes in functional group diversity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000443669200016 Publication Date 2018-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.965 Times cited Open Access
Notes (down) ; The authors would like to thank Ken Bagstad for his valuable comments. The research was made possible with the financial aid from a BOF grant of the Centre for Environmental Sciences (CMK, Hasselt University, BE) (BSFFEEC-R4270). Nele Witters is funded by Research Foundation-Flanders (FWO). Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. ; Approved Most recent IF: 2.965
Call Number UA @ admin @ c:irua:153598 Serial 6239
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Author Huyskens, C.; De Wever, H.; Fovet, Y.; Wegmann, U.; Diels, L.; Lenaerts, S.
Title Screening of novel MBR fouling reducers : benchmarking with known fouling reducers and evaluation of their mechanism of action Type A1 Journal article
Year 2012 Publication Separation and purification technology Abbreviated Journal Sep Purif Technol
Volume 95 Issue Pages 49-57
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A novel fouling characterization method was applied for a first screening of two novel synthetic flocculants developed by BASF (BASF-1 and BASF-2) and benchmarking with six well-known products. Results showed that this MBR-VITO Fouling Measurement (VFM) was able to identify beneficial and adverse effects of different additives on the mixed liquor's reversible and irreversible fouling and, in combination with supporting mixed liquor analyses, allowed to identify the additive's main working mechanism. The first screening tests indicated that BASF-1 and BASF-2 reduced reversible and irreversible fouling to a similar extent as the known synthetic flocculants due to a charge neutralization mechanism, resulting in enhanced flocculation and SMP removal. Further testing at different additive concentrations provided a first indication of the optimal dosage and revealed a considerable risk of overdosing for BASF-2, rendering it less suited for fouling control. In contrast, such adverse effects were not observed for BASF-1. BASF-1 induced similar beneficial effects as the known MPE50 polymer at lower dosage and was therefore considered promising for application in MBRs. (C) 2012 Elsevier B.V. All rights reserved.
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Publisher Place of Publication Editor
Language Wos 000307032100008 Publication Date 2012-04-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1383-5866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.359 Times cited 24 Open Access
Notes (down) ; The authors would like to thank K. Luyckx, J. Fret, L. Heylen, R. Muyshondt, H. Sterckx, J. Verheyden and J. Vande-Velden for technical assistance and V. Iversen for kindly supplying some of the commercial additives. Celine Huyskens is indebted to the Research Foundation-Flanders (FWO). The European Commission is acknowledged for financial support to Aquafit4use (FP7, Grant 211534). ; Approved Most recent IF: 3.359; 2012 IF: 2.894
Call Number UA @ admin @ c:irua:101903 Serial 5990
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Author Charalampopoulou, E.; Cautaerts, N.; Van der Donck, T.; Schryvers, D.; Lambrinou, K.; Delville, R.
Title Orientation relationship of the austenite-to-ferrite transformation in austenitic stainless steels due to dissolution corrosion in contact with liquid Pb-Bi eutectic Type A1 Journal article
Year 2019 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 167 Issue 167 Pages 66-70
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The orientation relationship of an austenite-to-ferrite phase transformation in 316L stainless steels induced by the loss of austenite stabilizers resulting from the steel dissolution corrosion in liquid Pb-Bi eutectic was studied by means of electron backscatter diffraction. The misorientations at the austenite/ferrite interface were compared to the prevailing orientation relationship models in steels. The Pitsch orientation relationship model was found to be predominant, which is unusual for austenite-to-ferrite bulk transformations in steels. The nature of this particular transformation, which involves loss of steel alloying elements and the presence of an interfacial liquid metal layer, is discussed to explain this finding. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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Publisher Place of Publication Editor
Language Wos 000468720000014 Publication Date 2019-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.747 Times cited 3 Open Access Not_Open_Access
Notes (down) ; The authors would like to thank J. Joris (SCK center dot CEN) for technical support during corrosion testing, J. Lim (SCK center dot CEN) for the manufacture and calibration of the oxygen sensors used in this work and W. Van Renterghem (SCK center dot CEN) for his valuable help with the EBSD measurements. The steel suppliers were: Industeel, ArcelorMittal Group, for the 316L-SA plate, and Panchmahal Steel Ltd., India, for the 316L-CWrod. The authors gratefully acknowledge the financial support provided within the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). ; Approved Most recent IF: 3.747
Call Number UA @ admin @ c:irua:160228 Serial 5257
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Author De Meyer, S.; Vanmeert, F.; Vertongen, R.; van Loon, A.; Gonzalez, V.; van der Snickt, G.; Vandivere, A.; Janssens, K.
Title Imaging secondary reaction products at the surface of Vermeer's Girl with the Pearl Earring by means of macroscopic X-ray powder diffraction scanning Type A1 Journal article
Year 2019 Publication Heritage science Abbreviated Journal
Volume 7 Issue 1 Pages 67
Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract The use of non-invasive macroscopic imaging techniques is becoming more prevalent in the field of cultural heritage, especially to avoid invasive procedures that damage valuable artworks. For this purpose, an X-ray powder diffraction scanner (MA-XRPD) capable of visualising crystalline compounds in a highly specific manner was recently developed. Many inorganic pigments present in paintings fall into this category of materials. In this study, the 17th century oil painting Girl with a Pearl Earring (c. 1665) by Johannes Vermeer was analysed with a combination of transmission and reflection mode MA-XRPD. By employing this scanner in reflection mode, the relative sensitivity for compounds that are present at the paint surface could be increased, establishing it as a highly relevant technique for investigating the degradation processes that are ongoing at paint surfaces. Many of the original pigments employed by Vermeer could be identified, along with four secondary alteration products: gypsum (CaSO4 center dot 2H(2)O), anglesite (PbSO4), palmierite (K2Pb(SO4)(2)) and weddellite (CaC2O4 center dot 2H(2)O). The formation of gypsum was linked to the presence of chalk in the upper glaze layer while the formation of palmierite and weddellite is driven by the presence of lake pigments (and their substrates). In this manner, MA-XRPD can also be used to pinpoint locations relevant for sampling and synchrotron mu-XRPD analysis, which provides information on the microscopic make-up of the paint. A paint cross-section taken from an area rich in palmierite was analysed with synchrotron mu-XRPD, which confirmed the presence of this secondary compound at the interface of the upper paint layer with the ground layer as well as the presence of anglesite in the ground layer. The capacity of MA-XRPD to identify and chart secondary alteration products in a non-invasive manner has only very recently been demonstrated and makes it a highly relevant technique for the assessment of the chemical condition of works of art.
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Publisher Place of Publication Editor
Language Wos 000484938100001 Publication Date 2019-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access
Notes (down) ; The authors would like to thank Interreg Vlaanderen-Nederland for funding to help develop the MA-rXRPD scanner. This project was made possible with support from the Johan Maurits Compagnie Foundation. This study was supported by Interreg and CALIPSOplus (Grant 730872). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:162801 Serial 5653
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Author Huybrechts, W.; Mali, G.; Kuśtrowski, P.; Willhammar, T.; Mertens, M.; Bals, S.; Van Der Voort, P.; Cool, P.
Title Post-synthesis bromination of benzene bridged PMO as a way to create a high potential hybrid material Type A1 Journal article
Year 2016 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 236 Issue 236 Pages 244-249
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Periodic mesoporous organosilicas provide the best of two worlds: the strength and porosity of an inorganic framework combined with the infinite possibilities created by the organic bridging unit. In this work we focus on post-synthetical modification of benzene bridged PMO, in order to create bromobenzene PMO. In the past, this proved to be very challenging due to unwanted structural deterioration. However, now we have found a way to brominate this material whilst keeping the structure intact. In-depth structural analysis by solid state NMR and XPS shows both vast progress over previous attempts as well as potential for improvement.
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Publisher Place of Publication Amsterdam Editor
Language Wos 000385899600028 Publication Date 2016-09-10
Series Editor Series Title Abbreviated Series Title
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ISSN 1387-1811 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited 7 Open Access OpenAccess
Notes (down) ; The authors would like to thank financial support from the FWO-Flanders (project no G.0068.13). The authors further acknowledge financial support of the University of Antwerp through BOF GOA funding. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara Approved Most recent IF: 3.615
Call Number UA @ lucian @ c:irua:135274 Serial 4228
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Author Li, H.; Zhang, L.; Li, L.; Wu, C.; Huo, Y.; Chen, Y.; Liu, X.; Ke, X.; Luo, J.; Van Tendeloo, G.
Title Two-in-one solution using insect wings to produce graphene-graphite films for efficient electrocatalysis Type A1 Journal article
Year 2019 Publication Nano Research Abbreviated Journal Nano Res
Volume 12 Issue 1 Pages 33-39
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Natural organisms contain rich elements and naturally optimized smart structures, both of which have inspired various innovative concepts and designs in human society. In particular, several natural organisms have been used as element sources to synthesize low-cost and environmentally friendly electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells and metal-air batteries, which are clean energy devices. However, to date, no naturally optimized smart structures have been employed in the synthesis of ORR catalysts, including graphene-based materials. Here, we demonstrate a novel strategy to synthesize graphene-graphite films (GGFs) by heating butterfly wings coated with FeCl3 in N-2, in which the full power of natural organisms is utilized. The wings work not only as an element source for GGF generation but also as a porous supporting structure for effective nitrogen doping, two-dimensional spreading, and double-face exposure of the GGFs. These GGFs exhibit a half-wave potential of 0.942 V and a H2O2 yield of < 0.07% for ORR electrocatalysis; these values are comparable to those for the best commercial Pt/C and all previously reported ORR catalysts in alkaline media. This two-in-one strategy is also successful with cicada and dragonfly wings, indicating that it is a universal, green, and cost-effective method for developing high-performance graphene-based materials.
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Publisher Place of Publication Editor
Language Wos 000453629900004 Publication Date 2018-08-30
Series Editor Series Title Abbreviated Series Title
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ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 7 Open Access Not_Open_Access
Notes (down) ; The authors would like to thank Drs Qiang Wang and Wenjuan Yuan for useful discussions. This work was financially supported by the National Key R&D Program of China (No. 2017YFA0700104), the National Natural Science Foundation of China (Nos. 21601136 and 11404016), the National Program for Thousand Young Talents of China, Tianjin Municipal Education Commission, Tianjin Municipal Science and Technology Commission (No. 15JCYBJC52600), and the Fundamental Research Fund of Tianjin University of Technology. This work also made use of the resources of the National Center for Electron Microscopy in Beijing. ; Approved Most recent IF: 7.354
Call Number UA @ admin @ c:irua:156210 Serial 5265
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