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Author Bogaerts, A.; Alves, L.L.
Title (up) Special issue on numerical modelling of low-temperature plasmas for various applications – part II: Research papers on numerical modelling for various plasma applications Type Editorial
Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 14 Issue 14 Pages 1790041
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403074000001 Publication Date 2017-04-25
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 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.846
Call Number PLASMANT @ plasmant @ c:irua:142637 Serial 4559
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Author Nozaki, T.; Bogaerts, A.; Tu, X.; Sanden, R.
Title (up) Special issue: Plasma Conversion Type Editorial
Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 14 Issue 14 Pages 1790061
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403699900015 Publication Date 2017-06-16
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 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.846
Call Number PLASMANT @ plasmant @ c:irua:144211 Serial 4578
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Author Groenendijk, D.J.; Autieri, C.; Girovsky, J.; Martinez-Velarte, M.C.; Manca, N.; Mattoni, G.; Monteiro, A.M.R.V.L.; Gauquelin, N.; Verbeeck, J.; Otte, A.F.; Gabay, M.; Picozzi, S.; Caviglia, A.D.
Title (up) Spin-orbit semimetal SrIrO3 in the two-dimensional limit Type A1 Journal article
Year 2017 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 119 Issue 25 Pages 256403
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('We investigate the thickness-dependent electronic properties of ultrathin SrIrO3 and discover a transition from a semimetallic to a correlated insulating state below 4 unit cells. Low-temperature magnetoconductance measurements show that spin fluctuations in the semimetallic state are significantly enhanced while approaching the transition point. The electronic properties are further studied by scanning tunneling spectroscopy, showing that 4 unit cell SrIrO(3)d is on the verge of a gap opening. Our density functional theory calculations reproduce the critical thickness of the transition and show that the opening of a gap in ultrathin SrIrO3 requires antiferromagnetic order.'));
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000418619100014 Publication Date 2017-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 79 Open Access OpenAccess
Notes ; This work was supported by The Netherlands Organisation for Scientific Research (NWO/OCW) as part of the Frontiers of Nanoscience program (NanoFront), by the Dutch Foundation for Fundamental Research on Matter (FOM), and by the European Research Council under the European Union's H2020 programme/ERC Grant Agreement No. [677458]. The authors thank R. Claessen, P. Schutz, D. Di Sante, G. Sangiovanni, and A. Santander Syro for useful discussions. M. G. gratefully acknowledges support from the French National Research Agency (ANR) (Project LACUNES No. ANR-13-BS04-0006-01). C. A. and S. P. acknowledge financial support from Fondazione Cariplo via the project Magister (Project No. 2013-0726) and from CNR-SPIN via the Seed Project “CAMEO”. N. G. and J. V. acknowledge support from the GOA project “Solarpaint” of the University of Antwerp. The Qu-AntEM microscope was partly funded by the Hercules fund from the Flemish Government. ; Approved Most recent IF: 8.462
Call Number UA @ lucian @ c:irua:148510 Serial 4897
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Author Tsirlin, A.A.; Rousochatzakis, I.; Filimonov, D.; Batuk, D.; Frontzek, M.; Abakumov, A.M.
Title (up) Spin-reorientation transitions in the Cairo pentagonal magnet Bi4Fe5O13F Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 9 Pages 094420
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi4Fe5O13F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mossbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi4Fe5O13F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411161700002 Publication Date 2017-09-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 7 Open Access OpenAccess
Notes We are grateful to J.-M. Perez-Mato and Dmitry Khalyavin for valuable discussions on the magnetic structures and symmetries. D.F. and A.A. are grateful to the Russian Science Foundation (Grant No. 14-13-00680) for support. A.T. was supported by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institut, Villigen, Switzerland. Approved Most recent IF: 3.836
Call Number EMAT @ emat @c:irua:146748 Serial 4774
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Author Vets, C.; Neyts, E.C.
Title (up) Stabilities of bimetallic nanoparticles for chirality-selective carbon nanotube growth and the effect of carbon interstitials Type A1 Journal article
Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 121 Issue 28 Pages 15430-15436
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Bimetallic nanoparticles play a crucial role in various applications. A better understanding of their properties would facilitate these applications and possibly even enable chirality-specific growth of carbon nanotubes (CNTs). We here examine the stabilities of NiFe, NiGa, and FeGa nanoparticles and the effect of carbon dissolved in NiFe nanoparticles through density functional theory (DFT) calculations and Born Oppenheimer molecular dynamics (BOMD) simulations. We establish that nanoparticles with more Fe in the core and more Ga on the surface are more stable and compare these results with well-known properties such as surface energy and atom size. Furthermore, we find that the nanoparticles become more stable with increasing carbon content, both at 0 K and at 700 K. These results provide a basis for further research into the chirality-specific growth of CNT's.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000406355700050 Publication Date 2017-06-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.536
Call Number UA @ lucian @ c:irua:145206 Serial 4725
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Author Zhang, Q.; Vlaeminck, S.E.; DeBarbadillo, C.; Suzuki, R.; Kharkar, S.M.; Al-Omari, A.; Wett, B.; Chandran, K.; Murthy, S.; De Clippeleir, H.
Title (up) Startup strategies of deammonification reactors treating reject water from thermally hydrolyzed solids Type P3 Proceeding
Year 2017 Publication Abbreviated Journal
Volume Issue Pages 5 p. T2 - WEFTEC.17, 30 September 4 October 2017,
Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151113 Serial 8579
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Author De Backer, A.; van den Bos, K.H.W.; Van den Broek, W.; Sijbers, J.; Van Aert, S.
Title (up) StatSTEM: An efficient program for accurate and precise model-based quantification of atomic resolution electron microscopy images Type P1 Proceeding
Year 2017 Publication Journal of physics : conference series T2 – Electron Microscopy and Analysis Group Conference 2017 (EMAG2017), 3-6 July 2017, Manchester, UK Abbreviated Journal J. Phys.: Conf. Ser.
Volume 902 Issue Pages 012013
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT); Vision lab
Abstract An efficient model-based estimation algorithm is introduced in order to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for the overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, is investigated. The highest attainable precision is reached even for low dose images. Furthermore, advantages of the model- based approach taking into account overlap between neighbouring columns are highlighted. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000416370700013 Publication Date 2017-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-6588 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes The authors acknowledge nancial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0374.13N, G.0368.15N, G.0369.15N, WO.010.16N) and a PhD research grant to K H W van den Bos, and a postdoctoral research grant to A De Backer. 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). A Rosenauer is acknowledged for providing the STEMsim program. Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:147188 Serial 4764
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Author Milovanovic, S.P.; Peeters, F.M.
Title (up) Strained graphene Hall bar Type A1 Journal article
Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 29 Issue 29 Pages 075601
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effects of strain, induced by a Gaussian bump, on the magnetic field dependent transport properties of a graphene Hall bar are investigated. The numerical simulations are performed using both classical and quantum mechanical transport theory and we found that both approaches exhibit similar characteristic features. The effects of the Gaussian bump are manifested by a decrease of the bend resistance, RB, around zero-magnetic field and the occurrence of side-peaks in RB. These features are explained as a consequence of bump-assisted scattering of electrons towards different terminals of the Hall bar. Using these features we are able to give an estimate of the size of the bump. Additional oscillations in RB are found in the quantum description that are due to the population/depopulation of Landau levels. The bump has a minor influence on the Hall resistance even for very high values of the pseudo-magnetic field. When the bump is placed outside the center of the Hall bar valley polarized electrons can be collected in the leads.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000391584900001 Publication Date 2016-12-24
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 12 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:140381 Serial 4464
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Author Volodin, A.; Van Haesendonck, C.; Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title (up) Stress dependence of the suspended graphene work function : vacuum Kelvin probe force microscopy and density functional theory Type A1 Journal article
Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 110 Issue 19 Pages 193101
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report on work function measurements on graphene, which is exfoliated over a predefined array of wells in silicon oxide, by Kelvin probe force microscopy operating in a vacuum. The obtained graphene sealed microchambers can support large pressure differences, providing controllable stretching of the nearly impermeable graphene membranes. These measurements allow detecting variations of the work function induced by the mechanical stresses in the suspended graphene where the work function varies linearly with the strain and changes by 62 +/- 2 meV for 1 percent of strain. Our related ab initio calculations result in a work function variation that is a factor of 1.4 larger than the experimental value. The limited discrepancy between the theory and the experiment can be accounted for by a charge transfer from the unstrained to the strained graphene regions. Published by AIP Publishing.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000402319200036 Publication Date 2017-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 8 Open Access
Notes ; The authors wish to thank A. Klekachev (IMEC Leuven, Belgium) for the fabrication of the samples. This work was supported by the Science Foundation-Flanders (FWO, Belgium). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-Department EWI. The Hercules Foundation also funded the scanning probe microscopy equipment. ; Approved Most recent IF: 3.411
Call Number UA @ lucian @ c:irua:144279 Serial 4690
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Author Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-Fard, T.; Farmanbar, M.; Peeters, F.M.
Title (up) Strong anisotropic optical conductivity in two-dimensional puckered structures : the role of the Rashba effect Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 7 Pages 075411
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract within the Kubo formalism. We show that the anisotropic Rashba effect caused by an external field significantly changes the magnitude of the spin splitting. Furthermore, we obtain an analytical expression for the longitudinal optical conductivity associated with interband transitions as a function of the frequency for arbitrary polarization angle. We find that the diagonal components of the optical conductivity tensor are direction dependent and the optical absorption spectrum exhibits a strongly anisotropic absorption window. The height and width of this absorption window are very sensitive to the anisotropy of the system. While the height of absorption peak increases with increasing effective mass anisotropy ratio, the peak intensity is larger when the light polarization is along the armchair direction. Moreover, the absorption peak width becomes broader as the density-of-states mass or Rashba interaction is enhanced. These features in the optical absorption spectrum can be used to determine parameters relevant for spintronics.
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000407097100005 Publication Date 2017-08-09
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 16 Open Access
Notes ; ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:145725 Serial 4752
Permanent link to this record
 
 
Author Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D.
Title (up) Structural and electronic properties of defects at grain boundaries in CuInSe2 Type A1 Journal article
Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 19 Issue 19 Pages 14770-14780
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We report on a first-principles study of the structural and electronic properties of a Sigma3 (112) grain boundary model in CuInSe2. The study focuses on a coherent, stoichiometry preserving, cation–Se terminated grain boundary, addressing the properties of the grain boundary as such, as well as the effect

of well known defects in CuInSe2. We show that in spite of its apparent simplicity, such a grain boundary exhibits a very rich phenomenology, providing an explanation for several of the experimentally observed properties of grain boundaries in CuInSe2 thin films. In particular, we show that the combined effect of Cu vacancies and cation antisites can result in the observed Cu depletion with no In enrichment at the grain boundaries. Furthermore, Cu vacancies are unlikely to produce a hole barrier at the grain boundaries, but Na may indeed have such an effect. We find that Na-on-Cu defects will tend to form abundantly at

the grain boundaries, and can provide a mechanism for the carrier depletion and/or type inversion experimentally reported.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403327200059 Publication Date 2017-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 12 Open Access OpenAccess
Notes We thank B. Schoeters for his assistance running the GBstudio software. We acknowledge the financial support of FWO-Vlaanderen through project G.0150.13. 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 FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 4.123
Call Number EMAT @ emat @ c:irua:143869 Serial 4577
Permanent link to this record
 
 
Author Mehta, A.N.; Zhang, H.; Dabral, A.; Richard, O.; Favia, P.; Bender, H.; Delabie, A.; Caymax, M.; Houssa, M.; Pourtois, G.; Vandervorst, W.
Title (up) Structural characterization of SnS crystals formed by chemical vapour deposition Type A1 Journal article
Year 2017 Publication Journal of microscopy T2 – 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND Abbreviated Journal J Microsc-Oxford
Volume 268 Issue 3 Pages 276-287
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.'));
Address
Corporate Author Thesis
Publisher Wiley Place of Publication Hoboken Editor
Language Wos 000415900300009 Publication Date 2017-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.692 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.692
Call Number UA @ lucian @ c:irua:147692 Serial 4898
Permanent link to this record
 
 
Author Bez, R.; Zehani, K.; Batuk, M.; Van Tendeloo, G.; Mliki, N.; Bessais, L.
Title (up) Structure and magnetic properties of Sm(Fe,Si)(9)C/alpha-Fe nanocomposite magnets Type A1 Journal article
Year 2017 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd
Volume 695 Issue 695 Pages 810-817
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract SmFe8.75 Si-0.25 C/alpha-Fe nanocomposites have been successfully synthesized using high energy milling, followed by annealing at 750 degrees C. The crystal structure of these compounds was characterized by the Rietveld method using powder X-ray diffraction data. By increasing the concentration of Sm, we observed a decrease in the amount of alpha-Fe phase. The morphology of the samples was determined by scanning and transmission electron microscopy. The average grain size is about 20 nm. The magnetic properties were investigated at room temperature and at 10 K. A ferromagnetic behavior was observed in all samples at both temperatures. An increase of the soft magnetic phase alpha-Fe induced an increase in the magnetization and a decrease in coercivity. (C) 2016 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000391817600098 Publication Date 2016-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.133 Times cited 1 Open Access Not_Open_Access
Notes ; This work is main supported by the CNRS and the “Ministere de l'Enseignement Superieur, de la Recherche Scientifique” (LR99ES17) (Tunisia), PHC-Utique (Project 11/G 1301) and PHC-Maghreb (Project 15MAG07). The authors acknowledge the French SIE doctoral school of the University Paris Est for its support. ; Approved Most recent IF: 3.133
Call Number UA @ lucian @ c:irua:140380 Serial 4448
Permanent link to this record
 
 
Author de Araujo, J.L.B.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.; Ferreira, W.P.
Title (up) Structure and reentrant percolation in an inverse patchy colloidal system Type A1 Journal article
Year 2017 Publication Physical Review E Abbreviated Journal
Volume 95 Issue 6 Pages 062606
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional systems of inverse patchy colloids modeled as disks with a central charge and having their surface decorated with oppositely pointlike charged patches are investigated using molecular dynamics simulations. The self-assembly of the patchy colloids leads to diverse ground state configurations ranging from crystalline arrangements of monomers to linear clusters, ramified linear clusters and to percolated configurations. Two structural phase diagrams are constructed: (1) as a function of the net charge and area fraction, and (2) as a function of the net charge and the range of the pair interaction potential. An interesting reentrant percolation transition is obtained as a function of the net charge of the colloids. We identify distinct mechanisms that lead to the percolation transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000404545700005 Publication Date 2017-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152628 Serial 8587
Permanent link to this record
 
 
Author Willhammar, T.; Sentosun, K.; Mourdikoudis, S.; Goris, B.; Kurttepeli, M.; Bercx, M.; Lamoen, D.; Partoens, B.; Pastoriza-Santos, I.; Pérez-Juste, J.; Liz-Marzán, L.M.; Bals, S.; Van Tendeloo, G.
Title (up) Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared Type A1 Journal article
Year 2017 Publication Nature communications Abbreviated Journal Nat Commun
Volume 8 Issue 8 Pages 14925
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Copper chalcogenides find applications in different domains including photonics, photothermal therapy and photovoltaics. CuTe nanocrystals have been proposed as an alternative to noble metal particles for plasmonics. Although it is known that deviations from stoichiometry are a prerequisite for plasmonic activity in the near-infrared, an accurate description of the material and its (optical) properties is hindered by an insufficient understanding of the atomic structure and the influence of defects, especially for materials in their nanocrystalline form. We demonstrate that the structure of Cu1.5±xTe nanocrystals canbe determined using electron diffraction tomography. Real-space high-resolution electron tomography directly reveals the three-dimensional distribution of vacancies in the structure. Through first-principles density functional theory, we furthermore demonstrate that the influence of these vacancies on the optical properties of the nanocrystals is determined. Since our methodology is applicable to a variety of crystalline nanostructured materials, it is expected to provide unique insights concerning structure–property correlations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397799700001 Publication Date 2017-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 37 Open Access OpenAccess
Notes The work was financially supported by the European Research Council through an ERC Starting Grant (#335078-COLOURATOMS). T.W. acknowledges the Swedish Research Council for an international postdoc grant. We acknowledge financial support of FWO-Vlaanderen through project G.0216.14N, G.0369.15N and a postdoctoral research grant to B.G. 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 FWO-Vlaanderen and the Flemish Government–Department EWI. The work was further supported by the Spanish MINECO (MAT2013-45168-R). S.M. thanks the Action ooSupporting Postdoctoral Researchers44 of the Operational Program ‘Education and Lifelong Learning’ (Action’s Beneficiary: General Secretariat for Research and Technology of Greece), which was co-financed by the European Social Fund (ESF) and the Greek State. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); ECAS_Sara Approved Most recent IF: 12.124
Call Number EMAT @ emat @ c:irua:142203UA @ admin @ c:irua:142203 Serial 4538
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Author Paria Sena, R.
Title (up) Structure characterization of triple perovskites and related systems by transmission electron microscopy Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:141621 Serial 4511
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Author Conings, B.; Bretschneider, S.A.; Babayigit, A.; Gauquelin, N.; Cardinaletti, I.; Manca, J.V.; Verbeeck, J.; Snaith, H.J.; Boyen, H.-G.
Title (up) Structure-property relations of methylamine vapor treated hybrid perovskite CH3NH3PbI3 films and solar cells Type A1 Journal article
Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 9 Issue 9 Pages 8092-8099
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The power conversion efficiency of halide perovskite solar cells is heavily dependent on the perovskite layer being sufficiently smooth and pinhole-free. It has been shown that these features can be obtained even when starting out from rough and discontinuous perovskite film, by briefly exposing it to methylamine (MA) vapor. The exact underlying physical mechanisms of this phenomenon are, however, still unclear. By investigating smooth, MA treated films, based on very rough and discontinuous reference films of methylammonium triiode (MAPbI3), considering their morphology, crystalline features, local conductive properties, and charge carrier lifetime, we unravel the relation between their characteristic physical qualities and their performance in corresponding solar cells. We discover that the extensive improvement in photovoltaic performance upon MA treatment is a consequence of the induced morphological enhancement of the perovskite layer, together with improved electron injection into TiO2, which in fact compensates for an otherwise compromised bulk electronic quality, simultaneously caused by the MA treatment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000396186000025 Publication Date 2017-02-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 43 Open Access OpenAccess
Notes This work was financially supported by BOF (Hasselt University) and the Research Fund Flanders (FWO). B.C. is a postdoctoral research fellow of the FWO. A.B. is financially supported by FWO and Imec. J.V. and N.G. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. The authors thank Tim Vangerven for Urbach energy determination, and Johnny Baccus and Jan Mertens for technical support. Approved Most recent IF: 7.504
Call Number EMAT @ emat @ c:irua:140849 Serial 4422
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Author Bal, K.M.; Cautereels, J.; Blockhuys, F.
Title (up) Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 Type A1 Journal article
Year 2017 Publication Journal of molecular structure Abbreviated Journal J Mol Struct
Volume 1132 Issue Pages 102-108
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000393254400015 Publication Date 2016-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2860 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.753 Times cited Open Access Not_Open_Access: Available from 03.10.2019
Notes Approved Most recent IF: 1.753
Call Number UA @ lucian @ c:irua:145533 Serial 4726
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Author Keulemans, M.
Title (up) Study of electron transfer processes in plasmonic photocatalysis Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages 170 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:147504 Serial 8596
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Author Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S.
Title (up) Study of positive and negative plasma catalytic oxidation of ethylene Type A1 Journal article
Year 2017 Publication Environmental technology Abbreviated Journal Environ Technol
Volume 38 Issue 12 Pages 1554-1561
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The effect of introducing a photocatalytically active coating inside a plasma unit is investigated. This technique combines the advantages of high product selectivity from catalysis and the fast start-up from plasma technology. In this study, a preselected TiO2 coating is applied on the collector electrode of a DC corona discharge unit as non-thermal plasma reactor, in order to study the oxidation of ethylene. For both positive and negative polarities an enhanced mineralization is observed while the formation of by-products drastically decreases. The plasma catalytic unit gave the best results when using negative polarity at a voltage of 15kV. This shows the potential of plasma catalysis as indoor air purification technology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402018900010 Publication Date 2016-10-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-3330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 1 Open Access
Notes ; The authors wish to thank the University of Antwerp for supporting and funding this research. ; Approved Most recent IF: 1.751
Call Number UA @ admin @ c:irua:144351 Serial 5993
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Author Cabal, A.; Legrand, S.; Van den Bril, B.; Tote, K.; Janssens, K.; van Espen, P.
Title (up) Study of the uniformity of aerosol filters by scanning MA-XRF Type A1 Journal article
Year 2017 Publication X-ray spectrometry T2 – 17th European Conference on X-Ray Spectrometry (EXRS), JUN 19-24, 2016, Univ Gothenburg, Univ Gothenburg, Gothenburg, SWEDEN Abbreviated Journal X-Ray Spectrom
Volume 46 Issue 5 Pages 461-466
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Energy-dispersive X-ray fluorescence (XRF) is an attractive analytical method to determine the level of air pollution by heavy metals. The concentration of the filter in ng/cm(2) is obtained by direct comparison of the net characteristic line intensity of an element with that of a thin film standard. As the sampled area on the filter and the area of the standard are larger than the area analysed by the instrument, the distribution of the elements on the surface of both samples and standards have to be sufficiently uniform. If this is not the case, biased concentration estimates are obtained. Two scanning macro-XRF setups with a beam diameter of similar to 0.5 mm were used to investigate the distribution of elements in (1) commercially available (Micromatter) standards, (2) in-house quartz filter standards obtained with an aerosol generator and (3) particulatematter (PM10) collected on quartz filters by a Leckel SEQ 47/50 sampler. The uniformity of the Micromatter standards was better than 2%. At least some in-house standards showed a concave distribution with less material at the edges. The maximum bias introduced by this is less than 5%. Because of the limited sensitivity of scanning XRF compared with conventional XRF, the distribution of only a few common elements like Ca and Fe could be determined reliably in aerosol filters. The distribution of some heavy elements could only be measured in filters sampled in polluted regions. In general, the loading of particulate matter over the filters was uniform. Copyright (C) 2017 John Wiley & Sons, Ltd.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000409246400026 Publication Date 2017-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.298 Times cited 4 Open Access
Notes ; ; Approved Most recent IF: 1.298
Call Number UA @ admin @ c:irua:145644 Serial 5852
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Author Friedman, P.C.; Miller, V.; Fridman, G.; Lin, A.; Fridman, A.
Title (up) Successful treatment of actinic keratoses using nonthermal atmospheric pressure plasma : a case series Type L1 Letter to the editor
Year 2017 Publication Journal of the American Academy of Dermatology Abbreviated Journal
Volume 76 Issue 2 Pages 349-350
Keywords L1 Letter to the editor; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000396905000041 Publication Date 2017-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0190-9622 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:155655 Serial 8617
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Author Dabaghmanesh, S.; Saniz, R.; Neyts, E.; Partoens, B.
Title (up) Sulfur-alloyed Cr2O3: a new p-type transparent conducting oxide host Type A1 Journal article
Year 2017 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 7 Issue 7 Pages 4453-4459
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Doped Cr2O3 has been shown to be a p-type transparent conducting oxide (TCO). Its conductivity, however, is low. As for most p-type TCOs, the main problem is the high effective hole mass due to flat valence bands. We use first-principles methods to investigate whether one can increase the valence band dispersion (i.e. reduce the hole mass) by anion alloying with sulfur, while keeping the band gap large enough for transparency. The alloying concentrations considered are given by Cr(4)SxO(6-x), with x = 1-5. To be able to describe the electronic properties of these materials accurately, we first study Cr2O3, examining critically the accuracy of different density functionals and methods, including PBE, PBE+U, HSE06, as well as perturbative approaches within the GW approximation. Our results demonstrate that Cr4S2O4 has an optical band gap of 3.08 eV and an effective hole mass of 1.8 m(e). This suggests Cr4S2O4 as a new p-type TCO host candidate.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393751300030 Publication Date 2017-01-16
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 9 Open Access OpenAccess
Notes ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. 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: 3.108
Call Number UA @ lucian @ c:irua:141543 Serial 4528
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Author Vlaeminck, S.E.; Kobayashi, K.; Jandra, J.; Van Nevel, S.; Vandekerckhove, T.G.L.
Title (up) Sulphidotrophic denitrification treating regeneration water from ion exchange at high performance and low opex Type P3 Proceeding
Year 2017 Publication Abbreviated Journal
Volume Issue Pages 3 p. T2 - IWA 2017 Conference on Sustainable Waste
Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151108 Serial 8620
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Author Voorhaar, L.; Diaz, M.M.; Leroux, F.; Rogers, S.; Abakumov, A.M.; Van Tendeloo, G.; Van Assche, G.; Van Mele, B.; Hoogenboom, R.
Title (up) Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers Type A1 Journal article
Year 2017 Publication NPG Asia materials Abbreviated Journal Npg Asia Mater
Volume 9 Issue Pages e385
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402065300005 Publication Date 2017-05-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1884-4049; 1884-4057 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.157 Times cited 8 Open Access OpenAccess
Notes ; This research was conducted in the framework of the SIM-SHE/NAPROM project and SIM is gratefully acknowledged for the financial support. ; Approved Most recent IF: 9.157
Call Number UA @ lucian @ c:irua:144263 Serial 4691
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Author Callewaert, V.; Saniz, R.; Barbiellini, B.; Partoens, B.
Title (up) Surface states and positron annihilation spectroscopy: results and prospects from a first-principles approach Type A1 Journal article
Year 2017 Publication Journal of physics : conference series Abbreviated Journal
Volume 791 Issue 791 Pages 012036
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The trapping of positrons at the surface of a material can be exploited to study quite selectively the surface properties of the latter by means of positron annihilation spectroscopy techniques. To support these, it is desirable to be able to theoretically predict the existence of such positronic surface states and to describe their annihilation characteristics with core or valence surface electrons in a reliable way. Here, we build on the well-developed first-principles techniques for the study of positrons in bulk solids as well as on previous models for surfaces, and investigate two schemes that can improve the theoretical description of the interaction of positrons with surfaces. One is based on supplementing the local-density correlation potential with the corrugated image potential at the surface, and the other is based on the weighted-density approximation to correlation. We discuss our results for topological insulators, graphene layers, and quantum dots, with emphasis on the information that can be directly related to experiment. We also discuss some open theoretical problems that should be addressed by future research.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400610500036 Publication Date 2017-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-6588 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes We acknowledge financial support from FWO-Vlaanderen (projects G.0150.13 and G.0224.14N). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02- 05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. Approved Most recent IF: NA
Call Number CMT @ cmt @ c:irua:140847 Serial 4425
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Author Joolaie, R.; Sarvestani, A.A.; Taheri, F.; Van Passel, S.; Azadi, H.
Title (up) Sustainable cropping pattern in North Iran : application of fuzzy goal programming Type A1 Journal article
Year 2017 Publication Environment, development and sustainability Abbreviated Journal
Volume 19 Issue 6 Pages 2199-2216
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Due to the important role that the application of mathematical programming models have in determining optimal cropping patterns, this research presents a sustainable cropping pattern that considers selected economic, environmental, and social goals together. Using a random sampling method, a sample size of 168 farmers was selected in the Sari County, Iran. Our results showed that economic, self-sufficiency, environmental, and social goals have a distinctly different impact on cropping pattern performance. Compared to the current cropping pattern, the gross margins for economic and social goals increased by nearly 11 and 2 %, respectively, and the gross margins for self-sufficiency and environmental goals decreased by nearly 2 and 36 %. Interestingly, it has been found that the performance of the current cropping pattern has an average positive impact of 6 % if economic, self-sufficiency, environmental, and social (employment) goals are realized simultaneously.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000414459300004 Publication Date 2016-09-02
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; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:147370 Serial 6257
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Author Clerici, E.A.; De Meyer, S.; van der Snickt, G.; Janssens, K.
Title (up) Synchroton X-ray powder diffraction study of lead white oxidation by sodium hypochloride Type P1 Proceeding
Year 2017 Publication Abbreviated Journal
Volume Issue Pages 13-27
Keywords P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-80-87108-75-8 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:157219 Serial 5860
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Author Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A.
Title (up) Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes Type A1 Journal article
Year 2017 Publication Biochimica et biophysica acta : G : general subjects Abbreviated Journal Bba-Gen Subjects
Volume 1861 Issue 1861 Pages 839-847
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.

Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.

Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.

General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397366200012 Publication Date 2017-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-4165 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.702 Times cited Open Access OpenAccess
Notes This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flem Approved Most recent IF: 4.702
Call Number PLASMANT @ plasmant @ c:irua:140095 Serial 4413
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Author Torfs, E.; Vajs, J.; Bidart de Macedo, M.; Cools, F.; Vanhoutte, B.; Gorbanev, Y.; Bogaerts, A.; Verschaeve, L.; Caljon, G.; Maes, L.; Delputte, P.; Cos, P.; Komrlj, J.; Cappoen, D.
Title (up) Synthesis and in vitro investigation of halogenated 1,3-bis(4-nitrophenyl)triazenide salts as antitubercular compounds Type A1 Journal article
Year 2017 Publication Chemical biology and drug design Abbreviated Journal Chem Biol Drug Des
Volume Issue Pages 1-10
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The diverse pharmacological properties of the diaryltriazenes have sparked the interest to investigate their potential to be repurposed as antitubercular drug candidates. In an attempt to improve the antitubercular activity of a previously constructed diaryltriazene library, eight new halogenated nitroaromatic triazenides were synthesized and underwent biological evaluation. The potency of the series was confirmed against the Mycobacterium tuberculosis lab strain H37Ra, and for the most potent derivative, we observed a minimal inhibitory concentration of 0.85 μm. The potency of the triazenide derivatives against M. tuberculosis H37Ra was found to be highly dependent on the nature of the halogenated phenyl substituent and less dependent on cationic species used for the preparation of the salts. Although the inhibitory concentration against J774A.1 macrophages was observed at 3.08 μm, the cellular toxicity was not mediated by the generation of nitroxide intermediate as confirmed by electron paramagnetic resonance spectroscopy, whereas no in vitro mutagenicity could be observed for the new halogenated nitroaromatic triazenides when a trifluoromethyl substituent was present on both the aryl moieties.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000422952300027 Publication Date 2017-08-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1747-0277; 1747-0285; 1397-002x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.396 Times cited 5 Open Access OpenAccess
Notes Approved Most recent IF: 2.396
Call Number UA @ lucian @ c:irua:147182 Serial 4794
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