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Author (up) Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. pdf  url
doi  openurl
  Title Investigations of discharge and post-discharge in a gliding arc: a 3D computational study Type A1 Journal article
  Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 26 Issue 26 Pages 055017  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this study we quantitatively investigate for the first time the plasma characteristics of an argon gliding arc with a 3D model. The model is validated by comparison with available experimental data from literature and a reasonable agreement is obtained for the calculated gas temperature and electron density. A complete arc cycle is modeled from initial ignition to arc decay. We investigate how the plasma characteristics, i.e., the electron temperature, gas temperature,

reduced electric field, and the densities of electrons, Ar+ and Ar2+ ions and Ar(4s) excited states, vary over one complete arc cycle, including their behavior in the discharge and post-discharge. These plasma characteristics exhibit a different evolution over one arc cycle, indicating that either the active discharge stage or the post-discharge stage can be beneficial for certain applications.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399278100002 Publication Date 2017-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 11 Open Access OpenAccess  
  Notes This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part 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 Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). SR Sun thanks the financial support from the China Scholarship Council (CSC). Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:142204 Serial 4550  
Permanent link to this record
 

 
Author (up) Sun, S.R.; Wang, H.X.; Mei, D.H.; Tu, X.; Bogaerts, A. pdf  url
doi  openurl
  Title CO2 conversion in a gliding arc plasma: Performance improvement based on chemical reaction modeling Type A1 Journal article
  Year 2017 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util  
  Volume 17 Issue 17 Pages 220-234  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract CO2 conversion into value-added chemicals is gaining increasing interest in recent years, and a gliding arc plasma has great potential for this purpose, because of its high energy efficiency. In this study, a chemical reaction kinetics model is presented to study the CO2 splitting in a gliding arc discharge. The calculated

conversion and energy efficiency are in good agreement with experimental data in a range of different operating conditions. Therefore, this reaction kinetics model can be used to elucidate the dominant chemical reactions contributing to CO2 destruction and formation. Based on this reaction pathway analysis, the restricting factors for CO2 conversion are figured out, i.e., the reverse reactions and the small treated gas fraction. This allows us to propose some solutions in order to improve the CO2 conversion, such as decreasing the gas temperature, by using a high frequency discharge, or increasing the power

density, by using a micro-scale gliding arc reactor, or by removing the reverse reactions, which could be realized in practice by adding possible scavengers for O atoms, such as CH4. Finally, we compare our results with other types of plasmas in terms of conversion and energy efficiency, and the results illustrate that gliding arc discharges are indeed quite promising for CO2 conversion, certainly when keeping in mind the possible solutions for further performance improvement.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000393928500023 Publication Date 2016-12-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.292 Times cited 41 Open Access Not_Open_Access  
  Notes We acknowledge financial support from the IAP/7 (Inter- university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. This work is also supported by National Natural Science Foundation of China (grant nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council (CSC). Approved Most recent IF: 4.292  
  Call Number PLASMANT @ plasmant @ c:irua:138986 Serial 4332  
Permanent link to this record
 

 
Author (up) Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H. doi  openurl
  Title Cubic lead perovskite PbMoO3 with anomalous metallic behavior Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal  
  Volume 95 Issue 15 Pages 155105  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000440605700001 Publication Date 2017-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:167288 Serial 7743  
Permanent link to this record
 

 
Author (up) Tang, T.; Stamm, C.; van Griensven, A.; Seuntjens, P.; Bronders, J. pdf  doi
openurl 
  Title Hysteresis and parent-metabolite analyses unravel characteristic pesticide transport mechanisms in a mixed land use catchment Type A1 Journal article
  Year 2017 Publication Water research Abbreviated Journal  
  Volume 124 Issue Pages 663-672  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract To properly estimate and manage pesticide occurrence in urban rivers, it is essential, but often highly challenging, to identify the key pesticide transport pathways in association to the main sources. This study examined the concentration-discharge hysteresis behaviour (hysteresis analysis) for three pesticides and the parent-metabolite concentration dynamics for two metabolites at sites with different levels of urban influence in a mixed land use catchment (25 km(2)) within the Swiss Greifensee area, aiming to identify the dominant pesticide transport pathways. Combining an adapted hysteresis classification framework with prior knowledge of the field conditions and pesticide usage, we demonstrated the possibility of using hysteresis analysis to qualitatively infer the dominant pesticide transport pathway in mixed land-use catchments. The analysis showed that hysteresis types, and therefore the dominant transport pathway, vary among pesticides, sites and rainfall events. Hysteresis loops mostly correspond to dominant transport by flow components with intermediate response time, although pesticide sources indicate that fast transport pathways are responsible in most cases (e.g. urban runoff and combined sewer overflows). The discrepancy suggests the fast transport pathways can be slowed down due to catchment storages, such as topographic depressions in agricultural areas, a wastewater treatment plant (WWTP) and other artificial storage units (e.g. retention basins) in urban areas. Moreover, the WWTP was identified as an important factor modifying the parent-metabolite concentration dynamics during rainfall events. To properly predict and manage pesticide occurrence in catchments of mixed land uses, the hydrological delaying effect and chemical processes within the artificial structures need to be accounted for, in addition to the catchment hydrology and the diversity of pesticide sources. This study demonstrates that in catchments with diverse pesticide sources and complex transport mechanisms, the adapted hysteresis analysis can help to improve our understanding on pesticide transport behaviours and provide a basis for effective management strategies.(C) 2017 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000412251500065 Publication Date 2017-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1354; 1879-2448 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:146661 Serial 8048  
Permanent link to this record
 

 
Author (up) Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. url  doi
openurl 
  Title Magnetic properties of the 6H perovskite Ba3Fe2TeO9 Type A1 Journal article
  Year 2017 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 253 Issue Pages 347-354  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000406572600047 Publication Date 2017-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 6 Open Access OpenAccess  
  Notes ; We thank EPSRC for financial support through grant EP/M018954/1. ; Approved Most recent IF: 2.299  
  Call Number UA @ lucian @ c:irua:145692 Serial 4743  
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Author (up) Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y. pdf  url
doi  openurl
  Title One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping 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 121 Pages 4443-4450  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395616200038 Publication Date 2017-03-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 4 Open Access OpenAccess  
  Notes Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). Approved Most recent IF: 4.536  
  Call Number EMAT @ emat @ c:irua:141720 Serial 4472  
Permanent link to this record
 

 
Author (up) Tavkhelidze, I.; Caratelli, D.; Gielis, J.; Ricci, P.E.; Rogava, M.; Transirico, M. doi  isbn
openurl 
  Title On a geometric model of bodies with “complex” configuration and some movements Type H1 Book chapter
  Year 2017 Publication Abbreviated Journal  
  Volume 2 Issue Pages 129-158 T2 - Modeling in mathematics : proceedings  
  Keywords H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Aim of this chapter is analytical representation of one wide class of geometric figures (lines, surfaces and bodies) and their complicated displacements. The accurate estimation of physical characteristics (such as volume, surface area, length, or other specific parameters) relevant to human organs is of fundamental importance in medicine. One central idea of this article is, in this respect, to provide a general methodology for the evaluation, as a function of time, of the volume and center of gravity featured by moving of one class of bodies used of describe different human organs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000442076400010 Publication Date 2017-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-94-6239-260-1; 978-94-6239-261-8; 2543-0300; 978-94-6239-260-1 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:144552 Serial 8326  
Permanent link to this record
 

 
Author (up) Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. url  doi
openurl 
  Title QDB: a new database of plasma chemistries and reactions Type A1 Journal article
  Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 26 Issue 26 Pages 055014  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398394500001 Publication Date 2017-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 18 Open Access OpenAccess  
  Notes Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:142206 Serial 4549  
Permanent link to this record
 

 
Author (up) Thomassen, G.; Van Dael, M.; Lemmens, B.; Van Passel, S. pdf  url
doi  openurl
  Title A review of the sustainability of algal-based biorefineries : towards an integrated assessment framework Type A1 Journal article
  Year 2017 Publication Renewable & Sustainable Energy Reviews Abbreviated Journal Renew Sust Energ Rev  
  Volume 68 Issue 2 Pages 876-887  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Algal-based bioenergy products have faced multiple economic and environmental problems. To counter these problems, algal-based biorefineries have been proposed as a promising solution. Multiple environmental and economic assessments have analyzed this concept. However, a wide variation in results was reported. This study performs a review to evaluate the methodological reasons behind this variation. Based on this review, four main challenges for a sustainability assessment were identified: 1) the use of a clear framework; 2) the adaptation of the methodology to all stages of technological maturity; 3) the use of harmonized assumptions; 4) the integration of the technological process. A generic methodology, based on the integration of a techno-economic assessment methodology and a streamlined life cycle assessment was proposed. This environmental techno-economic assessment can be performed following an iterative approach during each stage of technology development. In this way, crucial technological parameters can be directly identified and evaluated during the maturation of the technology. The use of this assessment methodology can therefore act as guidance to decrease the time-to-market for innovative and sustainable technologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000391899400005 Publication Date 2016-03-16  
  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 23 Open Access  
  Notes ; ; Approved Most recent IF: 8.05  
  Call Number UA @ admin @ c:irua:139038 Serial 6245  
Permanent link to this record
 

 
Author (up) Timmis, K.; de Vos, W.M.; Luis Ramos, J.; Vlaeminck, S.E.; Prieto, A.; Danchin, A.; Verstraete, W.; de Lorenzo, V.; Lee, S.Y.; Brussow, H.; Timmis, J.K.; Singh, B.K. url  doi
openurl 
  Title The contribution of microbial biotechnology to sustainable development goals Type Editorial
  Year 2017 Publication Microbial biotechnology Abbreviated Journal  
  Volume 10 Issue 5 Pages 984-987  
  Keywords Editorial; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411491300001 Publication Date 2017-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1751-7915 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:146778 Serial 8653  
Permanent link to this record
 

 
Author (up) Tinck, S.; Tillocher, T.; Georgieva, V.; Dussart, R.; Neyts, E.; Bogaerts, A. pdf  url
doi  openurl
  Title Concurrent effects of wafer temperature and oxygen fraction on cryogenic silicon etching with SF6/O2plasmas Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 9 Pages 1700018  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Cryogenic plasma etching is a promising technique for high-control wafer development with limited plasma induced damage. Cryogenic wafer temperatures effectively reduce surface damage during etching, but the fundamental mechanism is not well understood. In this study, the influences of wafer temperature, gas mixture and substrate bias on the (cryogenic) etch rates of Si with SF6/O2 inductively coupled plasmas are experimentally and computationally investigated. The etch rates are measured in situ with double-point reflectometry and a hybrid computational Monte Carlo – fluid model is applied to calculate plasma properties. This work allows the reader to obtain a better insight in the effects of wafer temperature on the etch rate and to find operating conditions for successful anisotropic (cryo)etching.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000410773200012 Publication Date 2017-04-03  
  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 Fonds Wetenschappelijk Onderzoek, 0880.212.840 ; Hercules Foundation; Flemish Government (Department EWI); Universiteit Antwerpen; Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @c:irua:145637 Serial 4708  
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Author (up) Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. pdf  url
doi  openurl
  Title Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity Type A1 Journal article
  Year 2017 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys  
  Volume 186 Issue 186 Pages 353-364  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000390621200044 Publication Date 2016-11-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0254-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.084 Times cited 17 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.084  
  Call Number UA @ lucian @ c:irua:140333 Serial 4465  
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Author (up) Tong, Y.; Bohn, B.J.; Bladt, E.; Wang, K.; Mueller-Buschbaum, P.; Bals, S.; Urban, A.S.; Polavarapu, L.; Feldmann, J. pdf  url
doi  openurl
  Title From precursor powders to CsPbX3 perovskite nanowires : one-pot synthesis, growth mechanism, and oriented self-assembly Type A1 Journal article
  Year 2017 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 56 Issue 56 Pages 13887-13892  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('The colloidal synthesis and assembly of semiconductor nanowires continues to attract a great deal of interest. Herein, we describe the single-step ligand-mediated synthesis of single-crystalline CsPbBr3 perovskite nanowires (NWs) directly from the precursor powders. Studies of the reaction process and the morphological evolution revealed that the initially formed CsPbBr3 nanocubes are transformed into NWs through an oriented-attachment mechanism. The optical properties of the NWs can be tuned across the entire visible range by varying the halide (Cl, Br, and I) composition through subsequent halide ion exchange. Single-particle studies showed that these NWs exhibit strongly polarized emission with a polarization anisotropy of 0.36. More importantly, the NWs can self-assemble in a quasi-oriented fashion at an air/liquid interface. This process should also be easily applicable to perovskite nanocrystals of different morphologies for their integration into nanoscale optoelectronic devices.'));  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000413314800065 Publication Date 2017-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 223 Open Access OpenAccess  
  Notes ; This work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go hybrid (SolTech)”, the China Scholarship Council (Y.T. and K.W.), the Alexander von Humboldt Stiftung (L.P.), and the Flemish Fund for Scientific Research (FWO Vlaanderen; E.B.). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant 335078-COLOURATOMS). ; ecas_sara Approved Most recent IF: 11.994  
  Call Number UA @ lucian @ c:irua:147434UA @ admin @ c:irua:147434 Serial 4876  
Permanent link to this record
 

 
Author (up) 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. pdf  url
doi  openurl
  Title 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  
Permanent link to this record
 

 
Author (up) Trashin, S.; Rahemi, V.; Ramji, K.; Neven, L.; Gorun, S.M.; De Wael, K. url  doi
openurl 
  Title Singlet oxygen-based electrosensing by molecular photosensitizers Type A1 Journal article
  Year 2017 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 8 Issue Pages 16108  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Enzyme-based electrochemical biosensors are an inspiration for the development of (bio)analytical techniques. However, the instability and reproducibility of the reactivity of enzymes, combined with the need for chemical reagents for sensing remain challenges for the construction of useful devices. Here we present a sensing strategy inspired by the advantages of enzymes and photoelectrochemical sensing, namely the integration of aerobic photocatalysis and electrochemical analysis. The photosensitizer, a bioinspired perfluorinated Zn phthalocyanine, generates singlet-oxygen from air under visible light illumination and oxidizes analytes, yielding electrochemically-detectable products while resisting the oxidizing species it produces. Compared with enzymatic detection methods, the proposed strategy uses air instead of internally added reactive reagents, features intrinsic baseline correction via on/off light switching and shows C-F bonds-type enhanced stability. It also affords selectivity imparted by the catalytic process and nano-level detection, such as 20 nM amoxicillin in μl sample volumes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000405466200002 Publication Date 2017-07-14  
  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 26 Open Access  
  Notes ; Evonik is thanked for providing samples of silicon and titanium oxides. Support from the National Science Foundation (SMG) for a portion of this work is gratefully acknowledged. FWO and UAntwerpen (BOF) are acknowledged for financial support. ; Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:144538 Serial 5833  
Permanent link to this record
 

 
Author (up) Trenchev, G.; Kolev, S.; Kiss’ovski, Z. pdf  url
doi  openurl
  Title Modeling a Langmuir probe in atmospheric pressure plasma at different EEDFs Type A1 Journal article
  Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 26 Issue 26 Pages 055013  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this study, we present a computational model of a cylindrical electric probe in atmospheric pressure argon plasma. The plasma properties are varied in terms of density and electron temperature. Furthermore, results for plasmas with Maxwellian and non-Maxwellian electron energy distribution functions are also obtained and compared. The model is based on the fluid description of plasma within the COMSOL software package. The results for the ion saturation current are compared and show good agreement with existing analytical Langmuir probe theories. A strong dependence between the ion saturation current and electron transport properties was observed, and attributed to the effects of ambipolar diffusion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398327900002 Publication Date 2017-04-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 4 Open Access OpenAccess  
  Notes Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:141914 Serial 4535  
Permanent link to this record
 

 
Author (up) Trenchev, G.; Kolev, S.; Wang, W.; Ramakers, M.; Bogaerts, A. pdf  url
doi  openurl
  Title CO2Conversion in a Gliding Arc Plasmatron: Multidimensional Modeling for Improved Efficiency 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 44 Pages 24470-24479  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The gliding arc plasmatron (GAP) is a highly efficient atmospheric plasma source, which is very promising for CO2 conversion applications. To understand its operation principles and to improve its application, we present here comprehensive modeling results, obtained by means of computational fluid dynamics simulations and plasma modeling. Because of the complexity of the CO2 plasma, a full 3D plasma model would be computationally impractical. Therefore, we combine a 3D turbulent gas flow model with a 2D plasma and gas heating model in order to calculate the plasma parameters and CO2 conversion characteristics. In addition, a complete 3D gas flow and plasma model with simplified argon chemistry is used to evaluate the gliding arc evolution in space and time. The calculated values are compared with experimental data from literature as much as possible in order to validate the model. The insights obtained in this study are very helpful for improving the application of CO2 conversion, as they allow us to identify the limiting factors in the performance, based on which solutions can be provided on how to further improve the capabilities of CO2 conversion in the GAP.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000415140400014 Publication Date 2017-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited Open Access OpenAccess  
  Notes H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, 11U5316N G038316N ; Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @c:irua:147193 Serial 4765  
Permanent link to this record
 

 
Author (up) Truong, B.; Siegert, K.; Lin, A.; Miller, V.; Krebs, F.C. pdf  doi
openurl 
  Title Apical application of nanosecond-pulsed dielectric barrier discharge plasma causes the basolateral release of adenosine triphosphate as a damage-associated molecular pattern from polarized HaCaT cells Type A1 Journal article
  Year 2017 Publication Plasma medicine Abbreviated Journal  
  Volume 7 Issue 2 Pages 117-131  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Promising biomedical uses for nonthermal plasma (NTP) in the fields of regenerative medicine, cancer therapy, and vaccine delivery involve the noninvasive application of uniform nonequilibrium plasma (including dielectric barrier discharge plasma) to living skin. Whereas most investigations have focused on achieving desired therapeutic outcomes, fewer studies have examined the mechanisms and pathways by which epithelial cells respond to NTP exposure. Using a transwell apical-basolateral-chambered system to culture the human keratinocyte HaCaT cell line, in vitro experiments were performed to demonstrate the effects of nanosecond-pulsed dielectric barrier discharge (nsDBD) plasma on polarized epithelial cell viability, monolayer permeability, intracellular oxidative stress, and the release of adenosine triphosphate (ATP). Application of nsDBD plasma at 60 Hz or below had minimal or no effect on HaCaT monolayer viability or permeability. nsDBD plasma exposure did, however, result in frequency-dependent reductions in intracellular glutathione (indicating direct induction of oxidative stress by nsDBD plasma) and increased extracellular ATP concentrations in the ba-solateral (subepithelial) media, which are indicators of cellular stress and an NTP-induced inflammatory response. These studies provide new insights into nsDBD plasma-induced inflammation and local innate immune responses initiated by polarized epithelial tissues.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2017-02-24  
  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:155656 Serial 7465  
Permanent link to this record
 

 
Author (up) Tsirlin, A.A.; Rousochatzakis, I.; Filimonov, D.; Batuk, D.; Frontzek, M.; Abakumov, A.M. url  doi
openurl 
  Title 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  
Permanent link to this record
 

 
Author (up) Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J. pdf  url
doi  openurl
  Title Synthesis of MAX Phases in the Zr-Ti-Al-C System Type A1 Journal article
  Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 56 Issue 56 Pages 3489-3498  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000397171100045 Publication Date 2017-03-20  
  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 26 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ; Approved Most recent IF: 4.857  
  Call Number EMAT @ emat @ c:irua:141794 Serial 4491  
Permanent link to this record
 

 
Author (up) Udayabhaskararao, T.; Altantzis, T.; Houben, L.; Coronado-Puchau, M.; Langer, J.; Popovitz-Biro, R.; Liz-Marzán, L.M.; Vuković, L.; Král, P.; Bals, S.; Klajn, R. pdf  url
doi  openurl
  Title Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices Type A1 Journal article
  Year 2017 Publication Science Abbreviated Journal Science  
  Volume 358 Issue 358 Pages 514-518  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here,we show that non–close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000413757500043 Publication Date 2017-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 113 Open Access OpenAccess  
  Notes This work was supported by the European Research Council (grants 336080 CONFINEDCHEM to R.K. and 335078 COLOURATOM to S.B.), the Rothschild Caesarea Foundation (R.K.), the NSF (Division of Materials Research, grant 1506886) (P.K.), the European Commission (grant EUSMI 731019 to L.M.L.-M. and S.B.), and the startup funding from the University of Texas at El Paso (L.V.). L.M.L.-M. acknowledges funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013- 46101-R). T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. The computer support was provided by the Texas Advanced Computing Center. All data are reported in the main text and supplementary materials. ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 37.205  
  Call Number EMAT @ emat @c:irua:147242UA @ admin @ c:irua:147242 Serial 4770  
Permanent link to this record
 

 
Author (up) Ustarroz, J.; Geboes, B.; Vanrompay, H.; Sentosun, K.; Bals, S.; Breugelmans, T.; Hubin, A. url  doi
openurl 
  Title Electrodeposition of Highly Porous Pt Nanoparticles Studied by Quantitative 3D Electron Tomography: Influence of Growth Mechanisms and Potential Cycling on the Active Surface Area Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 9 Issue 9 Pages 16168-16177  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Nanoporous Pt nanoparticles (NPs) are promising fuel cell catalysts due to their large surface area and increased electrocatalytic activity towards the oxygen reduction reaction (ORR). Herein, we report on the infuence of the growth mechanisms on the surface properties of electrodeposited Pt dendritic NPs with large surface areas. The electrochemically active surface was studied by hydrogen underpotential deposition (HUPD) and compared for the rst time to high angle annular dark eld scanning transmission electron microscopy (HAADF-STEM) quantitative 3D electron tomography of individual nanoparticles. Large nucleation overpotential leads to a large surface coverage of Pt roughened spheroids, which provide large roughness factor (Rf ) but low mass-speci c electrochemically active surface area (EASA). Lowering the nucleation overpotential leads to highly porous Pt NPs with pores protruding to the center of the structure. At the expense of smaller Rf , the obtained EASA values of these structures are in the range of these of large surface area supported fuel cell catalysts. The active surface area of the Pt dendritic NPs was measured by electron tomography and it was found that the potential cycling in the H adsorption/desorption and Pt oxidation/reduction region, which is generally performed to determine the EASA, leads to a signi cant reduction of that surface area due to a partial collapse of their dendritic and porous morphology. Interestingly, the extrapolation of the microscopic tomography results to macroscopic electrochemical parameters indicated that the surface properties measured by H UPD are comparable to the values measured on individual NPs by electron tomography after the degradation caused by the H UPD measurement. These results highlight that the combination of electrochemical and quantitative 3D surface analysis techniques is essential to provide insights into the surface properties, the electrochemical stability and, hence, the applicability of these materials. Moreover, it indicates that care must be taken with widely used electrochemical methods of surface area determination, especially in the case of large surface area and possibly unstable nanostructures, since the measured surface can be strongly a ected by the measurement itself.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000401782500028 Publication Date 2017-04-18  
  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 24 Open Access OpenAccess  
  Notes Jon Ustarroz acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). S. Bals acknowledges funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). S.B. and T.B. acknowledge the University of Antwerp for nancial support in the frame of a GOA project. H.V. gratefully acknowledges nancial support by the Flemish Fund for Scienti c Research (FWO Vlaanderen). All the authors acknowledge Laurens Stevaert for his contribution to the work presented in this manuscript. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 7.504  
  Call Number EMAT @ emat @ c:irua:142345UA @ admin @ c:irua:142345 Serial 4552  
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Author (up) Van Boxem, W.; Van der Paal, J.; Gorbanev, Y.; Vanuytsel, S.; Smits, E.; Dewilde, S.; Bogaerts, A. url  doi
openurl 
  Title Anti-cancer capacity of plasma-treated PBS: effect of chemical composition on cancer cell cytotoxicity Type A1 Journal article
  Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 7 Issue 1 Pages 16478  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We evaluate the anti-cancer capacity of plasma-treated PBS (pPBS), by measuring the concentrations of NO2 − and H2O2 in pPBS, treated with a plasma jet, for different values of gas flow rate, gap and plasma treatment time, as well as the effect of pPBS on cancer cell cytotoxicity, for three different glioblastoma cancer cell lines, at exactly the same plasma treatment conditions. Our experiments reveal that pPBS is cytotoxic for all conditions investigated. A small variation in gap between plasma jet and liquid surface (10 mm vs 15 mm) significantly affects the chemical composition of pPBS and its anti-cancer capacity, attributed to the occurrence of discharges onto the liquid. By correlating the effect of gap, gas flow rate and plasma treatment time on the chemical composition and anti-cancer capacity of pPBS, we may conclude that H2O2 is a more important species for the anti-cancer capacity of pPBS than NO2 −. We also used a 0D model, developed for plasma-liquid interactions, to elucidate the most important mechanisms for the generation of H2O2 and NO2 −. Finally, we found that pPBS might be more suitable for practical applications in a clinical setting than (commonly used) plasma-activated media (PAM), because of its higher stability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000416398100028 Publication Date 2017-11-22  
  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 40 Open Access OpenAccess  
  Notes We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant No. 11U5416N), the Research Council of the University of Antwerp and the European Marie Skłodowska-Curie Individual Fellowship “LTPAM” within Horizon2020 (Grant No. 743151). Finally, we would like to thank P. Attri and A. Privat Maldonado for the valuable discussions. Approved Most recent IF: 4.259  
  Call Number PLASMANT @ plasmant @c:irua:147192 Serial 4766  
Permanent link to this record
 

 
Author (up) Van Dael, M.; Lizin, S.; Swinnen, G.; Van Passel, S. pdf  url
doi  openurl
  Title Young people's acceptance of bioenergy and the influence of attitude strength on information provision Type A1 Journal article
  Year 2017 Publication Renewable Energy Abbreviated Journal Renew Energ  
  Volume 107 Issue Pages 417-430  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract This study investigated the effects of using a standardized PowerPoint lecture to provide young people with nuanced information about bioenergy. The studys aim was to understand the relationship between knowledge and participants perception of bioenergy, and the relationship of the latter to participants attitude strength and intention to use and learn about bioenergy. Data were collected from 715 participants using a survey instrument that contained mainly Likert-scale questions. Data were then processed using partial least squares structural equation modelling. Results show that providing such information increases knowledge about bioenergy, but does relatively little to create a more positive perception of bioenergy. In turn, having a more positive view about bioenergy would lead to a higher intention to use bioenergy. Attitude strength was found to mediate the previous relationship and decreases the strength of the relationship between perception and intention to use. Results also show that the lecture weakly contributed to building attitude strength, rendering opinion change less likely in the future. We conclude that listening to a lecture on bioenergy slightly improves peoples perception of bioenergy, makes it more likely that people maintain such a disposition, and translates into a slightly higher intention to use bioenergy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000396946900036 Publication Date 2017-02-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 4.357 Times cited 10 Open Access  
  Notes ; This work was supported by the Research Foundation Flanders (FWO; grant number 12G5415N). The authors gratefully acknowledge Sara Leroi-Werelds (Hasselt University) for her valuable comments. ; Approved Most recent IF: 4.357  
  Call Number UA @ admin @ c:irua:140683 Serial 6280  
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Author (up) Van de Put, M.L.; Sorée, B.; Magnus, W. pdf  doi
openurl 
  Title Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field Type A1 Journal article
  Year 2017 Publication Journal of computational physics Abbreviated Journal J Comput Phys  
  Volume 350 Issue Pages 314-325  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000413379000016 Publication Date 2017-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.744 Times cited 5 Open Access  
  Notes ; ; Approved Most recent IF: 2.744  
  Call Number UA @ lucian @ c:irua:146630 Serial 4780  
Permanent link to this record
 

 
Author (up) van den Bos, K.H.W. url  openurl
  Title Quantitative atomic resolution transmission electron microscopy for heterogeneous nanomaterials 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:147953 Serial 4892  
Permanent link to this record
 

 
Author (up) Van der Donck, M.; Zarenia, M.; Peeters, F.M. pdf  url
doi  openurl
  Title Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 3 Pages 035131  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000405706600005 Publication Date 2017-07-18  
  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 50 Open Access  
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:145209 Serial 4716  
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Author (up) Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. pdf  url
doi  openurl
  Title Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity Type A1 Journal article
  Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 7 Issue 7 Pages 39526  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation

for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of

reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000391306900001 Publication Date 2017-01-06  
  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 27 Open Access OpenAccess  
  Notes The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, grant number 11U5416N. The calculations were performed in part 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 Flemish Government (department EWI) and the Universiteit Antwerpen. Approved Most recent IF: 4.259  
  Call Number PLASMANT @ plasmant @ c:irua:139512 Serial 4340  
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Author (up) van der Rest, A.; Idrissi, H.; Henry, F.; Favache, A.; Schryvers, D.; Proost, J.; Raskin, J.-P.; Van Overmeere, Q.; Pardoen, T. pdf  url
doi  openurl
  Title Mechanical behavior of ultrathin sputter deposited porous amorphous Al2O3 films Type A1 Journal article
  Year 2017 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 125 Issue 125 Pages 27-37  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The determination of the mechanical properties of porous amorphous Al2O3 thin films is essential to address reliability issues in wear-resistant, optical and electronic coating applications. Testing the mechanical properties of Al2O3 films thinner than 200 nm is challenging, and the link between the mechanical behavior and the microstructure of such films is largely unknown. Herein, we report on the elastic and viscoplastic mechanical properties of amorphous Al2O3 thin films synthesized by reactive magnetron sputtering using a combination of internal stress, nanoindentation, and on-chip uniaxial tensile testing, together with mechanical homogenization models to separate the effect of porosity from intrinsic variations of the response of the sound material. The porosity is made of voids with 2e30 nm diameter. The Young's modulus and hardness of the films decrease by a factor of two when the deposition pressure increases from 1.2 to 8 mTorr. The contribution of porosity was found to be small, and a change in the atomic structure of the amorphous Al2O3 matrix is hypothesized to be the main contributing factor. The activation volume associated to the viscoplastic deformation mechanism is around 100 Å3. Differences in the atomic structure of the films could not be revealed by electron diffraction, pointing to a minute effect of atomic arrangement on the elastic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000394201500003 Publication Date 2016-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited 5 Open Access OpenAccess  
  Notes This work has been funded by the Belgian Science Policy through the IAP 7/21 project. The support of the ‘Fonds Belge pour la Recherche dans l’Industrie et l’Agriculture (FRIA)’ for A.v.d.R. is also gratefully acknowledged, as well as the support of FNRS through the grant PDR T.0122.13 “Mecano”. Approved Most recent IF: 5.301  
  Call Number EMAT @ emat @ c:irua:138990 Serial 4330  
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Author (up) van der Snickt, G.; Dubois, H.; Sanyova, J.; Legrand, S.; Coudray, A.; Glaude, C.; Postec, M.; van Espen, P.; Janssens, K. pdf  doi
openurl 
  Title Large-area elemental imaging reveals Van Eyck's original paint layers on the Ghent altarpiece (1432), rescoping its conservation treatment Type A1 Journal article
  Year 2017 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 56 Issue 17 Pages 4797-4801  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A combination of large-scale and micro-scale elemental imaging, yielding elemental distribution maps obtained by, respectively non-invasive macroscopic X-ray fluorescence (MA-XRF) and by secondary electron microscopy/energy dispersive X-ray analysis (SEM-EDX) and synchrotron radiation-based micro-XRF (SR m-XRF) imaging was employed to reorient and optimize the conservation strategy of van Eyck's renowned Ghent Altarpiece. By exploiting the penetrative properties of X-rays together with the elemental specificity offered by XRF, it was possible to visualize the original paint layers by van Eyck hidden below the overpainted surface and to simultaneously assess their condition. The distribution of the high-energy Pb-L and Hg-L emission lines revealed the exact location of hidden paint losses, while Fe-K maps demonstrated how and where these lacunae were filled-up using an iron-containing material. The chemical maps nourished the scholarly debate on the overpaint removal with objective, chemical arguments, leading to the decision to remove all skillfully applied overpaints, hitherto interpreted as work by van Eyck. MA-XRF was also employed for monitoring the removal of the overpaint during the treatment phase. To gather complementary information on the in-depth layer build-up, SEM-EDX and SR mu-XRF imaging was used on paint cross sections to record microscale elemental maps.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398576000019 Publication Date 2017-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 11 Open Access  
  Notes ; This research was supported by the Baillet Latour fund, the Belgian Science Policy Office (Projects MO/39/011) and the Gieskes-Strijbis fund. The authors are also indebted to the BOF-GOA SOLAR Paint project of the University of Antwerp Research Council. The church wardens of the cathedral of St. Bavo and their chairman L. Collin are acknowledged for this agreeable collaboration. We also wish to thank conservators L. Depuydt, B. De Volder, F. Rosier, N. Laquiere and G. Steyaert as well as the members of the international committee. We are indebted to Prof. Em. A. Van Grevenstein-Kruse. ; Approved Most recent IF: 11.994  
  Call Number UA @ admin @ c:irua:142376 Serial 5688  
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