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Author van Walsem, J.; Verbruggen, S.W.; Modde, B.; Lenaerts, S.; Denys, S.
Title CFD investigation of a multi-tube photocatalytic reactor in non-steady-state conditions Type A1 Journal article
Year 2016 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 304 Issue Pages 808-816
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A novel multi-tube photoreactor is presented with a high efficiency (over 90% conversion) toward the degradation of acetaldehyde in air under UV conditions with an incident intensity of 2.1 mW cm−2. A CFD model was developed to simulate the transient adsorption and photocatalytic degradation processes of acetaldehyde in this reactor design and to estimate the corresponding kinetic parameters through an optimization routine using the experimentally determined outlet concentration profiles. The CFD model takes into account the entire reactor geometry and all relevant flow parameters, in contrast to analytical methods that often oversimplify the physical and chemical process characteristics. Using CFD, we show that both adsorption and desorption rate constants increase by respectively one and two orders of magnitude when the UV light is switched on, which clearly affects the transient behavior. The agreement of the experimental and modelled concentration profiles is excellent as evidenced by a coefficient of determination of at least 0.965. To demonstrate the reliability and accuracy of all parameters obtained from the modelling approach, an ultimate validation test was performed using other conditions than the ones used for estimating the kinetic parameters. The model was able to accurately simulate simultaneous adsorption, desorption and photocatalytic degradation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384777200089 Publication Date (up) 2016-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 10 Open Access
Notes ; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. ; Approved Most recent IF: 6.216
Call Number UA @ admin @ c:irua:139620 Serial 5933
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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 (up) 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 ; 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 da Costa; Zarenia, M.; Chaves, A.; Pereira, J.M., Jr.; Farias, G.A.; Peeters, F.M.
Title Hexagonal-shaped monolayer-bilayer quantum disks in graphene : a tight-binding approach Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 035415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the tight-binding approach, we investigate confined states in two different hybrid monolayer-bilayer systems: (i) a hexagonal monolayer area surrounded by bilayer graphene in the presence of a perpendicularly applied electric field and (ii) a hexagonal bilayer graphene dot surrounded by monolayer graphene. The dependence of the energy levels on dot size and external magnetic field is calculated. We find that the energy spectrum for quantum dots with zigzag edges consists of states inside the gap which range from dot-localized states, edge states, to mixed states coexisting together, whereas for dots with armchair edges, only dot-localized states are observed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000379502200008 Publication Date (up) 2016-07-11
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 11 Open Access
Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas No. 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation, under the process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, the Brazilian Program Science Without Borders (CsF), and the Lemann Foundation. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:134947 Serial 4190
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Author Sankaran, K.J.; Hoang, D.Q.; Kunuku, S.; Korneychuk, S.; Turner, S.; Pobedinskas, P.; Drijkoningen, S.; Van Bael, M.K.; D' Haen, J.; Verbeeck, J.; Leou, K.-C.; Lin, I.-N.; Haenen, K.
Title Enhanced optoelectronic performances of vertically aligned hexagonal boron nitride nanowalls-nanocrystalline diamond heterostructures Type A1 Journal article
Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 6 Issue 6 Pages 29444
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Field electron emission (FEE) properties of vertically aligned hexagonal boron nitride nanowalls (hBNNWs) grown on Si have been markedly enhanced through the use of nitrogen doped nanocrystalline diamond (nNCD) films as an interlayer. The FEE properties of hBNNWs-nNCD heterostructures show a low turn-on field of 15.2 V/mum, a high FEE current density of 1.48 mA/cm(2) and life-time up to a period of 248 min. These values are far superior to those for hBNNWs grown on Si substrates without the nNCD interlayer, which have a turn-on field of 46.6 V/mum with 0.21 mA/cm(2) FEE current density and life-time of 27 min. Cross-sectional TEM investigation reveals that the utilization of the diamond interlayer circumvented the formation of amorphous boron nitride prior to the growth of hexagonal boron nitride. Moreover, incorporation of carbon in hBNNWs improves the conductivity of hBNNWs. Such a unique combination of materials results in efficient electron transport crossing nNCD-to-hBNNWs interface and inside the hBNNWs that results in enhanced field emission of electrons. The prospective application of these materials is manifested by plasma illumination measurements with lower threshold voltage (370 V) and longer life-time, authorizing the role of hBNNWs-nNCD heterostructures in the enhancement of electron emission.
Address IMOMEC, IMEC vzw, 3590 Diepenbeek, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000379391000001 Publication Date (up) 2016-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 15 Open Access
Notes The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Project G.0456.12, G0044.13N and the Methusalem “NANO” network. Kamatchi Jothiramalingam Sankaran, Stuart Turner, and Paulius Pobedinskas are Postdoctoral Fellows of the Research Foundations Flanders (FWO). Approved Most recent IF: 4.259
Call Number c:irua:134643 c:irua:134643UA @ admin @ c:irua:134643 Serial 4119
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Author Moors, K.; Sorée, B.; Magnus, W.
Title Validity criteria for Fermi's golden rule scattering rates applied to metallic nanowires Type A1 Journal article
Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 365302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Fermi's golden rule underpins the investigation of mobile carriers propagating through various solids, being a standard tool to calculate their scattering rates. As such, it provides a perturbative estimate under the implicit assumption that the effect of the interaction Hamiltonian which causes the scattering events is sufficiently small. To check the validity of this assumption, we present a general framework to derive simple validity criteria in order to assess whether the scattering rates can be trusted for the system under consideration, given its statistical properties such as average size, electron density, impurity density et cetera. We derive concrete validity criteria for metallic nanowires with conduction electrons populating a single parabolic band subjected to different elastic scattering mechanisms: impurities, grain boundaries and surface roughness.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000380754400013 Publication Date (up) 2016-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:135011 Serial 4274
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Author Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J.
Title PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation Type A1 Journal article
Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 4 Issue 4 Pages 12790-12798
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000382015100012 Publication Date (up) 2016-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 26 Open Access
Notes Approved Most recent IF: 8.867
Call Number UA @ lucian @ c:irua:137188 Serial 4395
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Author Trashin, S.; De Jong, M.; Luyckx, E.; Dewilde, S.; De Wael, K.
Title Electrochemical evidence for neuroglobin activity on NO at physiological concentrations Type A1 Journal article
Year 2016 Publication Journal of biological chemistry Abbreviated Journal J Biol Chem
Volume 291 Issue 36 Pages 18959-18966
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The true function of neuroglobin (Ngb) and, particularly, human Ngb (NGB) has been under debate since its discovery 15 years ago. It has been expected to play a role in oxygen binding/supply, but a variety of other functions have been put forward, including NO dioxygenase activity. However, in vitro studies that could unravel these potential roles have been hampered by the lack of an Ngb-specific reductase. In this work, we used electrochemical measurements to investigate the role of an intermittent internal disulfide bridge in determining NO oxidation kinetics at physiological NO concentrations. The use of a polarized electrode to efficiently interconvert the ferric (Fe3+) and ferrous (Fe2+) forms of an immobilized NGB showed that the disulfide bridge both defines the kinetics of NO dioxygenase activity and regulates appearance of the free ferrous deoxy-NGB, which is the redox active form of the protein in contrast to oxy-NGB. Our studies further identified a role for the distal histidine, interacting with the hexacoordinated iron atom of the heme, in oxidation kinetics. These findings may be relevant in vivo, for example in blocking apoptosis by reduction of ferric cytochrome c, and gentle tuning of NO concentration in the tissues.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383242300031 Publication Date (up) 2016-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9258; 1083-351x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.125 Times cited 11 Open Access
Notes ; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO) Grant G.0687.13 and Universiteit Antwerpen GOA BOF 28312. The authors declare that they have no conflicts of interest with the contents of this article. ; Approved Most recent IF: 4.125
Call Number UA @ admin @ c:irua:134340 Serial 5590
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Author Liz-Marzan, L.; Bals, S.
Title Advanced particle characterization techniques Type Editorial
Year 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 350-351
Keywords Editorial; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Wiley-v c h verlag gmbh Place of Publication Weinheim Editor
Language Wos 000379970000001 Publication Date (up) 2016-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.474 Times cited Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 4.474
Call Number UA @ lucian @ c:irua:134957 Serial 4136
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Author Ryabova, A.S.; Bonnefont, A.; Zagrebin, P.; Poux, T.; Sena, R.P.; Hadermann, J.; Abakumov, A.M.; Kerangueven, G.; Istomin, S.Y.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R.
Title Study of hydrogen peroxide reactions on manganese oxides as a tool to decode the oxygen reduction reaction mechanism Type A1 Journal article
Year 2016 Publication ChemElectroChem Abbreviated Journal Chemelectrochem
Volume 3 Issue 3 Pages 1667-1677
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Hydrogen peroxide has been detected as a reaction intermediate in the electrochemical oxygen reduction reaction (ORR) on transition-metal oxides and other electrode materials. In this work, we studied the electrocatalytic and catalytic reactions of hydrogen peroxide on a set of Mn oxides, Mn2O3, MnOOH, LaMnO3, MnO2, and Mn3O4, that adopt different crystal structures to shed light on the mechanism of the ORR on these materials. We then combined experiment with kinetic modeling with the objective to correlate the differences in the ORR activity to the kinetics of the elementary reaction steps, and we uncovered the importance of structural and compositional factors in the catalytic activity of the Mn oxides. We concluded that the exceptional activity of Mn2O3 in the ORR is due to its high catalytic activity both in the reduction of oxygen to hydrogen peroxide and in the decomposition of the latter, and furthermore, we proposed a tentative link between crystal structure and reactivity.
Address
Corporate Author Thesis
Publisher Wiley Place of Publication Place of publication unknown Editor
Language Wos 000388377200019 Publication Date (up) 2016-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-0216 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.136 Times cited 20 Open Access
Notes Approved Most recent IF: 4.136
Call Number UA @ lucian @ c:irua:139202 Serial 4449
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Author Castanheiro, A.; Samson, R.; De Wael, K.
Title Magnetic- and particle-based techniques to investigate metal deposition on urban green Type A1 Journal article
Year 2016 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 571 Issue Pages 594-602
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Urban green works as a recorder of atmospheric PM. This paper reports on the utility of combining magnetic- and particle-based techniques to investigate PM leaf deposition as a bio-indicator of metal pollution. Ivy (Hedera helix) leaves were collected from five different land use classes, i.e. forest, rural, roadside, industrial, train. Leaf magnetic measurements were done in terms of saturation isothermal remanent magnetization (leaf SIRM), while ca. 40,000 leaf-deposited particles were analyzed through SEM/EDX to estimate the elemental composition. The influence of the different land use classes was registered both magnetically and in terms of metal content. Leaf area-normalized SIRM values ranged from 19.9 to 444.0 μA, in the following order forest < rural < roadside < industrial < train. Leaf SIRM showed to be significantly correlated (p < 0.01) with the content in Fe, Zn, and Pb, followed by Mn and Cd (p < 0.05), while no significant correlation was found with the metals Cr and Cu. Although presenting a similar metal content, roadside and train were magnetically very distinct. By exhibiting a very high content in Pb, and with an Fe content being comparable to the one observed at the forest and rural land uses, the industrial leaf-deposited particles showed to be mainly due to industrial activity. While SEM/EDX is a suitable approach for detailed particle analysis, leaf SIRM of ivy can be used as a rapid discriminatory tool for metal pollution. Their complementary use delivers further knowledge on land use classes reflecting different PM conditions and/or sources.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383930400059 Publication Date (up) 2016-07-16
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
Impact Factor 4.9 Times cited 17 Open Access
Notes ; This research was supported by a PhD grant of the Research Foundation Flanders (FWO). The authors thank W. Dorrine for his help and supervision on operating the SEM, and G. Nuyts and K Wuyts for their valuable comments on data treatment The authors also acknowledge the three anonymous reviewers for their constructive comments, which helped to improve the manuscript. ; Approved Most recent IF: 4.9
Call Number UA @ admin @ c:irua:134845 Serial 5703
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Author Maes, D.; Van Passel, S.
Title An agent-based model of farmer behaviour to explain the limited adaptability of Flemish agriculture Type A1 Journal article
Year 2017 Publication Environmental Innovation and Societal Transitions Abbreviated Journal
Volume 22 Issue Pages 63-77
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Transition projects have been implemented for Flemish agriculture since 2003, but these did not enable a transformation of the agricultural sector. This paper looks at pre-transition scenarios that have been collectively designed by stakeholders of the agricultural sector in 2002. These foresaw decreases in the regional animal stocks in Flanders. However, the real evolution of the sector did not reveal such a decrease. It is assumed that the individual adaptive behaviour of farmers can explain the unexpected stability of the Flemish agricultural sector. A detailed agent-based model has been built to replicate the past evolution, accounting for structural diversity of farmers, heterogeneity in behaviour, and natural resource constraints. The results indicate that different forms of rigidity in the individual behaviour of farmers slow down the adaptation of the agricultural sector. Future transition scenarios should account for these elements in order not to overestimate the speed of change in the sector. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400269900006 Publication Date (up) 2016-07-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2210-4224 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes ; This project was financed by the Impuls-project of the Transnational University Limburg (TUL, Belgium and theNetherlands). A prior version of the results was presented in September 2014 at the 10th annual meeting of the European Social Simulation Association (ESSA) in Barcelona; the remarks from participants improved this manuscript. Thecomputational resources and services in support of this study were provided by the Hercules Foundation and the Flemish Government-department EWI. Prof. Steven Van Passel thanks DG Agriculture (European Commission) for access to theFarm Accountancy Data Network (FADN). All remaining errors are the sole responsibility of the authors. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:143721 Serial 6150
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Author Zhao, H.J.; Wu, W.; Zhou, W.; Shi, Z.X.; Misko, V.R.; Peeters, F.M.
Title Reentrant dynamics of driven pancake vortices in layered superconductors Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 024514
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dynamics of driven pancake vortices in layered superconductors is studied using molecular-dynamics simulations. We found that, with increasing driving force, for strong interlayer coupling, the preexisted vortex lines either directly depin or first transform to two-dimensional (2D) pinned states before they are depinned, depending on the pinning strength. In a narrow region of pinning strengths, we found an interesting repinning process, which results in a negative differential resistance. For weak interlayer coupling, individually pinned pancake vortices first form disordered 2D flow and then transform to ordered three-dimensional (3D) flow with increasing driving force. However, for extremely strong pinning, the random pinning-induced thermal-like Langevin forces melt 3D vortex lines, which results in a persistent 2D flow in the fast-sliding regime. In the intermediate regime, the peak effect is found: With increasing driving force, the moving pancake vortices first crystallize to moving 3D vortex lines, and then these 3D vortex lines are melted, leading to the appearance of a reentrant 2D flow state. Our results are summarized in a dynamical phase diagram.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380097800006 Publication Date (up) 2016-07-18
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 3 Open Access
Notes ; We acknowledge useful discussions with C. Olson Reichhardt. This work was supported by the Natural Science Foundation of Jiangsu Province (Grant No. BK20150595), National Natural Science Foundation of China (Grants No. NSFC-U1432135 and No. 11611140101). V.R.M. acknowledges support from the “Odysseus” program of the Flemish Government and Flemish Science Foundation (FWO-Vl), the FWO-Vl, and the Research Fund of the University of Antwerp. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:134943 Serial 4238
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Author Geboes, B.; Ustarroz, J.; Sentosun, K.; Vanrompay, H.; Hubin, A.; Bals, S.; Breugelmans, T.
Title Electrochemical behavior of electrodeposited nanoporous Pt catalysts for the oxygen reduction reaction Type A1 Journal article
Year 2016 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume 6 Issue 6 Pages 5856-5864
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Nanoporous Pt based nanoparticles (NP's) are promising fuel cell catalysts due to their high surface area and increased electrocatalytic activity toward the ORR In this work a direct double-pulse electrodeposition procedure at room temperature is applied to obtain dendritic Pt structures (89 nm diameter) with a high level of porosity (ca. 25%) and nanopores of 2 nm protruding until the center of the NP's. The particle morphology is characterized using aberration corrected high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and electron tomography (ET) combined with field emission scanning electron microscopy (FESEM) and macroscopic electrochemical measurements to assess their activity and stability toward the ORR. Macroscopic determination of the active surface area through hydrogen UPD measurements in combination with FESEM and ET showed that a considerable amount of the active sites inside the pores of the low overpotential NP's were accessible to oxygen species. As a result of this accessibility, up to a 9-fold enhancement of the Pt mass corrected ORR activity at 0.85 V vs RHE was observed at the highly porous structures. After successive potential cycling upward to 1.5 V vs RHE in a deaerated HClO4 solution a negative shift of 71 mV in half-wave potential occurred. This decrease in ORR activity could be correlated to the partial collapse of the nanopores, visible in both the EASA values and 3D ET reconstructions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000382714000025 Publication Date (up) 2016-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.614 Times cited 48 Open Access OpenAccess
Notes ; The Quanta 250 FEG microscope of the Electron Microscopy for Material Science group at the University of Antwerp was funded by the Hercules foundation of the Flemish Government. The authors acknowledge financial support from the Fonds Wetenschappelijk Onderzoek in Flanders (FWOAL708). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J.U. acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). ; ecas_Sara Approved Most recent IF: 10.614
Call Number UA @ lucian @ c:irua:135703 Serial 4302
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Author Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H.
Title Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 7079-7089
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380181400035 Publication Date (up) 2016-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 12 Open Access
Notes Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; Approved Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:140848 Serial 4424
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Author Meire, M.; Verbruggen, S.W.; Lenaerts, S.; Lommens, P.; Van Der Voort, P.; Van Driessche, I.
Title Microwave-assisted synthesis of mesoporous titania with increased crystallinity, specific surface area, and photocatalytic activity Type A1 Journal article
Year 2016 Publication Journal of materials science Abbreviated Journal J Mater Sci
Volume 51 Issue 21 Pages 9822-9829
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Mesoporous titanium dioxide is a material finding its use in a wide range of applications. For many of these, it is important to achieve a high degree of crystallinity in the material. It is generally accepted that the use of the soft templating approach to synthesize mesoporous titania, results in a compromise between crystallinity and specific surface area due to thermal instability of the used templates. In this paper, we explore how the use of microwave irradiation can influence the crystallinity, specific surface area, and the electronic properties of mesoporous titania. Therefore, we combined microwave radiation with an evaporation-induced self-assembly (EISA) synthesis. We show that additional microwave treatment at carefully chosen synthesis steps can enhance the crystallinity with 20 % without causing significant loss of surface area (>360 m2/g). Surface photovoltage measurements were used to investigate the electronic properties. The photocatalytic activity of the samples was evaluated in aqueous media by following the degradation of an industrial dye, methylene blue, and the herbicide isoproturon under UV irradiation and in gaseous media looking at the degradation of acetaldehyde, a common indoor pollutant under UVA irradiation. In all cases, the microwave treatment results in more active materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000381182200023 Publication Date (up) 2016-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2461 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.599 Times cited 8 Open Access
Notes ; M. Meire and S. W. Verbruggen acknowledge the FWO-Flanders (Fund for Scientific Research-Flanders) for financial support. We want to thank T. Planckaert for the N<INF>2</INF> sorption measurements, J. Watte for the XRD measurements, and professor K. De Buysser for the quantitative Rietveld refinements. ; Approved Most recent IF: 2.599
Call Number UA @ admin @ c:irua:140098 Serial 5970
Permanent link to this record
 

 
Author Moldovan, D.; Peeters, F.M.
Title Atomic Collapse in Graphene Type P1 Proceeding
Year 2016 Publication Nanomaterials For Security Abbreviated Journal
Volume Issue Pages 3-17
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states.
Address
Corporate Author Thesis
Publisher Springer Place of Publication Dordrecht Editor
Language Wos 000386506200001 Publication Date (up) 2016-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-94-017-7593-9; 978-94-017-7591-5 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:138237 Serial 4348
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Toniato, E.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Fornasiero, P.;
Title Iron-titanium oxide nanocomposites functionalized with gold particles : from design to solar hydrogen production Type A1 Journal article
Year 2016 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 3 Issue 3 Pages 1600348
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Hematite-titania nanocomposites, eventually functionalized with gold nanoparticles (NPs), are designed and developed by a plasma-assisted strategy, consisting in: (i) the plasma enhanced-chemical vapor deposition of -Fe2O3 on fluorine-doped tin oxide substrates; the radio frequency-sputtering of (ii) TiO2, and (iii) Au in controlled amounts. A detailed chemicophysical characterization, carried out through a multitechnique approach, reveals that the target materials are composed by interwoven -Fe2O3 dendritic structures, possessing a high porosity and active area. TiO2 introduction results in the formation of an ultrathin titania layer uniformly covering Fe2O3, whereas Au sputtering yields a homogeneous dispersion of low-sized gold NPs. Due to the intimate and tailored interaction between the single constituents and their optical properties, the resulting composite materials are successfully exploited for solar-driven applications. In particular, promising photocatalytic performances in H-2 production by reforming of water-ethanol solutions under simulated solar illumination are obtained. The related insights, presented and discussed in this work, can yield useful guidelines to boost the performances of nanostructured photocatalysts for energy-related applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383783200021 Publication Date (up) 2016-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 15 Open Access
Notes Approved Most recent IF: 4.279
Call Number UA @ lucian @ c:irua:137154 Serial 4389
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Author Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S.
Title Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources Type A1 Journal article
Year 2016 Publication Environmental science : nano Abbreviated Journal Environ Sci-Nano
Volume 3 Issue 5 Pages 1052-1061
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule.
Address
Corporate Author Thesis
Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
Language Wos 000385257900011 Publication Date (up) 2016-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2051-8153; 2051-8161 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.047 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 6.047
Call Number UA @ lucian @ c:irua:144751 Serial 4644
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Author De Baere, K.; Verstraelen, H.; Willemen, R.; Smet, J.-P.; Tchuindjang, J.T.; Lecomte-Beckers, J.; Lenaerts, S.; Meskens, R.; Jung, H.G.; Potters, G.
Title Assessment of corrosion resistance, material properties, and weldability of alloyed steel for ballast tanks Type A1 Journal article
Year 2017 Publication Journal of marine science and technology Abbreviated Journal J Mar Sci Tech-Japan
Volume 22 Issue 1 Pages 176-199
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Ballast tanks are of great importance in the lifetime of modern merchant ships. Making a ballast tank less susceptible to corrosion can, therefore, prolong the useful life of a ship and, thereby, lower its operational cost. An option to reinforce a ballast tank is to construct it out of a corrosion-resistant steel type. Such steel was recently produced by POSCO Ltd., South Korea. After 6 months of permanent immersion, the average corrosion rate of A and AH steel (31 samples) was 535 g m(-2) year(-1), while the Korean CRS was corroding with 378 g m(-2) year(-1). This entails a gain of 29 %. Follow-up measurements after 10, 20, and 24 months confirmed this. The results after 6 months exposure to alternating wet/dry conditions are even more explicit. Furthermore, the physical and metallurgical properties of this steel show a density of 7.646 t/m(3), the elasticity modulus 209.3 GPa, the tensile strength 572 MPa, and the hardness 169HV10. Microscopically, the metal consists of equiaxed and recrystallized grains (ferrite and pearlite), with an average size of between 20 and 30 A mu m (ASTM E 112-12 grain size number between 7 and 8) with a few elongated pearlitic grains. The structure is banded ferrite/pearlite. On the basis of a series of energy dispersive X-ray spectrometer measurements the lower corrosion rate of the steel can be attributed to the interplay of Al, Cr, their oxides, and the corroding steel. In addition, the role of each element in the formation of oxide layers and the mechanisms contributing to the corrosion resistance are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000395006400015 Publication Date (up) 2016-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0948-4280 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.838 Times cited 3 Open Access
Notes ; This paper is published with the explicit permission of POSCO Ltd., original source of the corrosion resistant steel. Due to the creativity of the POSCO engineers and scientists, we could have our challenge, presented in this manuscript. The authors wish to thank the BOF funding received from the University of Antwerp and the Maritime Academy. We also wish to express our gratitude towards to the American Bureau of Shipping for their assistance in procuring the CRS plates, their moral and financial support, as well as to OCAS (Arcelor Mittal, Zelzate, Belgium) for their assistance in a number of measurements. ; Approved Most recent IF: 0.838
Call Number UA @ admin @ c:irua:142509 Serial 5928
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Author Dubrovinskaia, N.; Dubrovinsky, L.; Solopova, N.A.; Abakumov, A.; Turner, S.; Hanfland, M.; Bykova, E.; Bykov, M.; Prescher, C.; Prakapenka, V.B.; Petitgirard, S.; Chuvashova, I.; Gasharova, B.; Mathis, Y.-L.; Ershov, P.; Snigireva, I.; Snigirev, A.
Title Terapascal static pressure generation with ultrahigh yield strength nanodiamond Type A1 Journal article
Year 2016 Publication Science Advances Abbreviated Journal
Volume 2 Issue 7 Pages e1600341-12
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Studies of materials' properties at high and ultrahigh pressures lead to discoveries of unique physical and chemical phenomena and a deeper understanding of matter. In high-pressure research, an achievable static pressure limit is imposed by the strength of available strong materials and design of high-pressure devices. Using a high-pressure and high-temperature technique, we synthesized optically transparent microballs of bulk nanocrystalline diamond, which were found to have an exceptional yield strength (similar to 460 GPa at a confining pressure of similar to 70 GPa) due to the unique microstructure of bulk nanocrystalline diamond. We used the nanodiamond balls in a double-stage diamond anvil cell high-pressure device that allowed us to generate static pressures beyond 1 TPa, as demonstrated by synchrotron x-ray diffraction. Outstanding mechanical properties (strain-dependent elasticity, very high hardness, and unprecedented yield strength) make the nanodiamond balls a unique device for ultrahigh static pressure generation. Structurally isotropic, homogeneous, and made of a low-Z material, they are promising in the field of x-ray optical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000381805300029 Publication Date (up) 2016-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 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:190527 Serial 8647
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Author Pauwels, D.; Pilehvar, S.; Geboes, B.; Hubin, A.; De Wael, K.; Breugelmans, T.
Title A new multisine-based impedimetric aptasensing platform Type A1 Journal article
Year 2016 Publication Electrochemistry communications Abbreviated Journal Electrochem Commun
Volume 71 Issue Pages 23-27
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
Abstract In this work an aptamer-based biosensor is combined with a multisine electrochemical impedance spectroscopy sensing methodology into a novel and promising biosensing strategy. Employing a multisine instead of a traditional single sine measuring method allows the detection and quantification of parameters that provide information about the accuracy and reliability of the results, such as noise and distortions. This does not only lead to a shorter measurement time, but it also enables an easy and fast evaluation of the quality of the data and fitting, leading to more accurate results.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383445000006 Publication Date (up) 2016-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1388-2481; 1873-1902 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.396 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 4.396
Call Number UA @ admin @ c:irua:134765 Serial 5746
Permanent link to this record
 

 
Author Afsharzade, N.; Papzan, A.; Ashjaee, M.; Delangizan, S.; Van Passel, S.; Azadi, H.
Title Renewable energy development in rural areas of Iran Type A1 Journal article
Year 2016 Publication Renewable & Sustainable Energy Reviews Abbreviated Journal Renew Sust Energ Rev
Volume 65 Issue Pages 743-755
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Iran's energy system is extremely dependent on fossil fuels which, in turn, have led to problems such as fossil fuels depletion, social, economic and environmental damage and territorial imbalance. The country should therefore design a sustainable energy system based on clean energy as well as renewable energy. Accordingly, and given that Iran's rural areas suffer from the unsustainable energy system, it is necessary to integrate renewable energy into comprehensive development programs in general, and into rural development programs, specifically. This review paper answers the following questions: Why is renewable energy important for Iran at national and rural levels? How is renewable energy related to sustainable rural development? and What are the challenges in the promotion of renewable energy technologies in Iran? The paper concludes that although renewable energy has potential for development in Iran's rural areas due to environmental, social and economic advantages, it could face some infrastructural, managerial, socio-cultural and economic challenges. Accordingly, aggressive and innovative policy making is required to meet these challenges. (C) 2016 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383293800053 Publication Date (up) 2016-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1364-0321; 1879-0690 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.05 Times cited 41 Open Access
Notes ; ; Approved Most recent IF: 8.05
Call Number UA @ admin @ c:irua:137105 Serial 6243
Permanent link to this record
 

 
Author Gonnissen, J.; De Backer, A.; den Dekker, A.J.; Sijbers, J.; Van Aert, S.
Title Detecting and locating light atoms from high-resolution STEM images: The quest for a single optimal design Type A1 Journal article
Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 170 Issue 170 Pages 128-138
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract In the present paper, the optimal detector design is investigated for both detecting and locating light atoms from high resolution scanning transmission electron microscopy (HR STEM) images. The principles of detection theory are used to quantify the probability of error for the detection of light atoms from HR STEM images. To determine the optimal experiment design for locating light atoms, use is made of the so-called Cramer-Rao Lower Bound (CRLB). It is investigated if a single optimal design can be found for both the detection and location problem of light atoms. Furthermore, the incoming electron dose is optimised for both research goals and it is shown that picometre range precision is feasible for the estimation of the atom positions when using an appropriate incoming electron dose under the optimal detector settings to detect light atoms.
Address Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. Electronic address: sandra.vanaert@uantwerpen.be
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000386925500014 Publication Date (up) 2016-07-26
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 6 Open Access
Notes The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0368.15, G.0369.15 and G.0374.13) and a postdoctoral research grant to A. De Backer. The research leading to these results has also received funding from the European Union Seventh Framework Programme [FP7/2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors would also like to thank A. Rosenauer for providing access to the STEMsim software and Gerardo T. Martinez for fruitful discussions.; esteem2_jra2 Approved Most recent IF: 2.843
Call Number c:irua:135337 c:irua:135337 Serial 4128
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Author Aghaei, M.; Lindner, H.; Bogaerts, A.
Title Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations Type A1 Journal article
Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 88 Issue 88 Pages 8005-8018
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.
Address Research Group PLASMANT, Chemistry Department, University of Antwerp , Universiteitsplein 1, 2610 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000381654800020 Publication Date (up) 2016-07-26
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 9 Open Access
Notes The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO), Grant Number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 6.32
Call Number PLASMANT @ plasmant @ c:irua:135644 Serial 4293
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Author Zhang, L.; Fernández Becerra, V.; Covaci, L.; Milošević, M.V.
Title Electronic properties of emergent topological defects in chiral p-wave superconductivity Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 024520
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Chiral p-wave superconductors in applied magnetic field can exhibit more complex topological defects than just conventional superconducting vortices, due to the two-component order parameter (OP) and the broken time-reversal symmetry. We investigate the electronic properties of those exotic states, some of which contain clusters of one-component vortices in chiral components of the OP and/or exhibit skyrmionic character in the relative OP space, all obtained as a self-consistent solution of the microscopic Bogoliubov-de Gennes equations. We reveal the link between the local density of states (LDOS) of the novel topological states and the behavior of the chiral domain wall between the OP components, enabling direct identification of those states in scanning tunneling microscopy. For example, a skyrmion always contains a closed chiral domain wall, which is found to be mapped exactly by zero-bias peaks in LDOS. Moreover, the LDOS exhibits electron-hole asymmetry, which is different from the LDOS of conventional vortex states with same vorticity. Finally, we present the magnetic field and temperature dependence of the properties of a skyrmion, indicating that this topological defect can be surprisingly large in size, and can be pinned by an artificially indented nonsuperconducting closed path in the sample. These features are expected to facilitate the experimental observation of skyrmionic states, thereby enabling experimental verification of chirality in emerging superconducting materials.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000381479500002 Publication Date (up) 2016-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 27 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:135742 Serial 4303
Permanent link to this record
 

 
Author Dabaghmanesh, S.; Neyts, E.C.; Partoens, B.
Title van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces Type A1 Journal article
Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 18 Issue 18 Pages 23139-23146
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract van der Waals (vdW) forces play an important role in the adsorption of molecules on the surface of solids. However, the choice of the most suitable vdW functional for different systems is an essential problem which must be addressed for different systems. The lack of a systematic study on the performance of the vdW functionals in the bulk and adsorption properties of metal-oxides motivated us to examine different vdW approaches and compute the bulk and molecular adsorption properties of alpha-Cr2O3, alpha-Fe2O3, and alpha-Al2O3. For the bulk properties, we compared our results for the heat of formation, cohesive energy, lattice parameters and bond distances between the different vdW functionals and available experimental data. Next we studied the adsorption of benzene and CH3 molecules on top of different oxide surfaces. We employed different approximations to exchange and correlation within DFT, namely, the Perdew-Burke-Ernzerhof (PBE) GGA, (PBE)+U, and vdW density functionals [ DFT(vdW-DF/DF2/optPBE/optB86b/optB88)+U] as well as DFT-D2/D3(+U) methods of Grimme for the bulk calculations and optB86b-vdW(+U) and DFT-D2(+U) for the adsorption energy calculations. Our results highlight the importance of vdW interactions not only in the adsorption of molecules, but importantly also for the bulk properties. Although the vdW contribution in the adsorption of CH3 (as a chemisorption interaction) is less important compared to the adsorption of benzene (as a physisorption interaction), this contribution is not negligible. Also adsorption of benzene on ferryl/chromyl terminated surfaces shows an important chemisorption contribution in which the vdW interactions become less significant.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000382109300040 Publication Date (up) 2016-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 6 Open Access
Notes ; This work was supported by the Strategic Initiative Materials in Flanders (SIM). The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; Approved Most recent IF: 4.123
Call Number UA @ lucian @ c:irua:135701 Serial 4311
Permanent link to this record
 

 
Author Fernandez, M.S.; Peeters, F.M.; Neek-Amal, M.
Title Electric-field-induced structural changes in water confined between two graphene layers Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 4 Pages 045436
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000381485200005 Publication Date (up) 2016-07-27
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 3.836 Times cited 31 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:144684 Serial 4649
Permanent link to this record
 

 
Author Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M.
Title Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film Type A1 Journal article
Year 2016 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 89 Issue 89 Pages 172
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000391225200001 Publication Date (up) 2016-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 1 Open Access
Notes ; We thank A.S. Mishchenko and D.G. Rees for valuable discussions. This research has been supported by the Flemish Research Foundation (FWO-Vl), Project Nos. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, by the Scientific Research Network of the Research Foundation-Flanders, WO.033.09N, and by the Research Fund of the University of Antwerp. ; Approved Most recent IF: 1.461
Call Number UA @ lucian @ c:irua:140351 Serial 4454
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Author Belov, I.; Vanneste, J.; Aghaee, M.; Paulussen, S.; Bogaerts, A.
Title Synthesis of Micro- and Nanomaterials in CO2and CO Dielectric Barrier Discharges: Synthesis of Micro- and Nanomaterials… Type A1 Journal article
Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 14 Issue 14 Pages 1600065
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Dielectric Barrier Discharges operating in CO and CO2 form solid products at atmospheric pressure. The main differences between both plasmas and their deposits were analyzed, at similar energy input. GC measurements revealed a mixture of CO2, CO, and O2 in the CO2 DBD exhaust, while no O2 was found in the CO plasma. A coating of nanoparticles composed of Fe, O, and C was produced by the CO2 discharge, whereas, a microscopic dendrite-like carbon structure was formed in the CO plasma. Fe3O4 and Fe crystalline phases were found in the CO2 sample. The CO

deposition was characterized as an amorphous structure, close to polymeric CO (p-CO). Interestingly, p-CO is not formed in the CO2 plasma, in spite of the significant amounts of CO produced (up to 30% in the reactor exhaust).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397476000007 Publication Date (up) 2016-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 10 Open Access Not_Open_Access
Notes European Union Seventh Framework Programme FP7-PEOPLE-2013-ITN, 606889 ; Approved Most recent IF: 2.846
Call Number PLASMANT @ plasmant @ c:irua:141759 Serial 4487
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Author Vermeulen, M.; Nuyts, G.; Sanyova, J.; Vila, A.; Buti, D.; Suuronen, J.-P.; Janssens, K.
Title Visualization of As(III) and As(V) distributions in degraded paint micro-samples from Baroque- and Rococo-era paintings Type A1 Journal article
Year 2016 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 31 Issue 9 Pages 1913-1921
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Orpiment and realgar, both arsenic sulfide pigments respectively used for their vivid yellow and red-orange hues, are two of many artists' pigments that appear not to be stable upon light exposure, quickly degrading to arsenic trioxide and arsenate. This often results in whitening or transparency in the painted surfaces. While conventional techniques such as microscopic Raman (mu-RS) and microscopic Fourier transform infrared (mu-FTIR) spectroscopies can allow a quick and relatively easy identification of the orpiment, realgar, artificial arsenic sulfide glass and, to some extent, arsenic oxide, the identification and visualization of distributions of the degradation products – and especially arsenate compounds – in the paint micro-samples is generally more challenging. This challenge is due to the rather unfavorable limit of detection and low spectral resolution of such conventional spectroscopic techniques. This restricts the conclusions that can be drawn regarding the conservation state of valuable works of art. In this paper, we present how synchrotron radiation (SR) based techniques can overcome this challenge while working on painting cross-sections taken from a 17th-century painting by the Flemish artist Daniel Seghers (oil on canvas, Statens Museum for Kunst, Denmark) and an 18th-century French Chinoiserie (private collection, France). SR micro-X-ray fluorescence (m-XRF) mapping analysis performed on a visually degraded orpiment-containing paint stratigraphy reveals that arsenic is distributed throughout the entire cross-section, while X-ray absorption near edge structure (mu-XANES) demonstrated that the arsenic is present in both arsenite (As-III) and arsenate (As-V) forms. The latter compound(s), despite being barely identifiable by means of FTIR, were not only located at the surface of large and partially altered grains of arsenic sulfide but also spread throughout the entire paint stratigraphy. Their presence and distribution are attributed either to the complete degradation of smaller arsenic sulfide grains or to migration of the arsenates within the paint layer away from their original location of formation. The combination of mu-XRF and mu-XANES was very useful for the characterization of the advanced degradation state of the arsenic-containing pigments in paint systems; this type of information could not be obtained by means of conventional spectroscopic methods of microanalysis.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000382071200017 Publication Date (up) 2016-08-01
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 20 Open Access
Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). The CATS gratefully acknowledge VILLUM FONDEN and VELUX FONDEN for infra-structural financial support as well as Anne Haack Christensen, Hannah Tempest and Johanne M. Nielsen for their help and suggestions. The European Synchrotron Radiation Facility is acknowledged for provision of synchrotron radiation facilities. ; Approved Most recent IF: 3.379
Call Number UA @ admin @ c:irua:135691 Serial 5907
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