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Author Bae, J.; Cichocka, M.O.; Zhang, Y.; Bacsik, Z.; Bals, S.; Zou, X.; Willhammar, T.; Hong, S.B. pdf  url
doi  openurl
  Title Phase transformation behavior of a two-dimensional zeolite Type A1 Journal article
  Year (down) 2019 Publication Angewandte Chemie: international edition in English Abbreviated Journal  
  Volume 58 Issue 30 Pages 10230-10235  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Understanding the molecular-level mechanisms of phase transformation in solids is of fundamental interest for functional materials such as zeolites. Two-dimensional (2D) zeolites, when used as shape-selective catalysts, can offer improved access to the catalytically active sites and a shortened diffusion length in comparison with their 3D analogues. However, few materials are known to maintain both their intralayer microporosity and structure during calcination for organic structure-directing agent (SDA) removal. Herein we report that PST-9, a new 2D zeolite which has been synthesized via the multiple inorganic cation approach and fulfills the requirements for true layered zeolites, can be transformed into the small-pore zeolite EU-12 under its crystallization conditions through the single-layer folding process, but not through the traditional dissolution/recrystallization route. We also show that zeolite crystal growth pathway can differ according to the type of organic SDAs employed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476452700030 Publication Date 2019-05-22  
  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 Times cited 2 Open Access OpenAccess  
  Notes We acknowledge financial support from National Creative Research Initiative Program (2012R1A3A-2048833) through the National Research Foundation of Korea, the National Research Council of Science & Technology (CRC-14-1-KRICT) grant by the Korea government (MSIP), the Swedish Research Council (2017-04321), and the Knut and Alice Wallenberg Foundation (KAW) through the project grant 3DEM-NATUR (2012.0112). T.W. acknowledges an international postdoc grant from the Swedish Research Council (2014-06948). Approved no  
  Call Number UA @ admin @ c:irua:181233 Serial 6878  
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Author Terzano, R.; Denecke, M.A.; Falkenberg, G.; Miller, B.; Paterson, D.; Janssens, K. url  doi
openurl 
  Title Recent advances in analysis of trace elements in environmental samples by X-ray based techniques (IUPAC Technical Report) Type A1 Journal article
  Year (down) 2019 Publication Pure and applied chemistry Abbreviated Journal Pure Appl Chem  
  Volume 91 Issue 6 Pages 1029-1063  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Trace elements analysis is a fundamental challenge in environmental sciences. Scientists measure trace elements in environmental media in order to assess the quality and safety of ecosystems and to quantify the burden of anthropogenic pollution. Among the available analytical techniques, X-ray based methods are particularly powerful, as they can quantify trace elements in situ. Chemical extraction is not required, as is the case for many other analytical techniques. In the last few years, the potential for X-ray techniques to be applied in the environmental sciences has dramatically increased due to developments in laboratory instruments and synchrotron radiation facilities with improved sensitivity and spatial resolution. In this report, we summarize the principles of the X-ray based analytical techniques most frequently employed to study trace elements in environmental samples. We report on the most recent developments in laboratory and synchrotron techniques, as well as advances in instrumentation, with a special attention on X-ray sources, detectors, and optics. Lastly, we inform readers on recent applications of X-ray based analysis to different environmental matrices, such as soil, sediments, waters, wastes, living organisms, geological samples, and atmospheric particulate, and we report examples of sample preparation.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000471262400011 Publication Date 2019-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0033-4545 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.626 Times cited 3 Open Access  
  Notes ; This document was developed as a part of IUPAC, Funder Id: http://dx.doi.org/ 10.13039/100006987, Project #2016-019-2-600 “Trace elements analysis of environmental samples with X-rays: from synchrotron to lab and from lab to synchrotron” led by Roberto Terzano (Task Group Chair). Task Group Members for this project were: Melissa Anne Denecke, Gerald Falkenberg, Armin Gross, Koen Janssens, Bradley Miller, David Paterson, Ryan Tappero, Fang-Jie Zhao. Their contribution to the project is gratefully acknowledged. ; Approved Most recent IF: 2.626  
  Call Number UA @ admin @ c:irua:161369 Serial 5803  
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Author Pourbabak, S.; Montero-Sistiaga, M.L.; Schryvers, D.; Van Humbeeck, J.; Vanmeensel, K. pdf  url
doi  openurl
  Title Microscopic investigation of as built and hot isostatic pressed Hastelloy X processed by Selective Laser Melting Type A1 Journal article
  Year (down) 2019 Publication Materials characterization Abbreviated Journal Mater Charact  
  Volume 153 Issue Pages 366-371  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Microstructural characteristics of Hastelloy X produced by Selective Laser Melting have been investigated by various microscopic techniques in the as built (AB) condition and after hot isostatic pressing (HIP). At sub-grain level the AB material consists of columnar high density dislocation cells while the HIP sample consists of columnar sub-grains with lower dislocation density that originate from the original dislocation cells, contradicting existing models. The sub-grains contain nanoscale precipitates enriched in Al, Ti, Cr and O, located at sub-grain boundaries in the AB condition and within the grains after HIP. At some grain boundaries, micrometer sized chromium carbides are detected after HIP. Micro hardness within the grains was found to decrease after HIP, which was attributed to the decrease in dislocation density due to recovery annealing.  
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  Publisher Place of Publication Editor  
  Language Wos 000472696900040 Publication Date 2019-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.714 Times cited 2 Open Access Not_Open_Access  
  Notes S.P. likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. The authors acknowledge ENGIE Research and Technology Division for the use of the SLM280HL machine and financial support. This work was also made possible through the AUHA13009 grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. Approved Most recent IF: 2.714  
  Call Number EMAT @ emat @UA @ admin @ c:irua:159974 Serial 5178  
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Author Clima, S.; Garbin, D.; Devulder, W.; Keukelier, J.; Opsomer, K.; Goux, L.; Kar, G.S.; Pourtois, G. pdf  doi
openurl 
  Title Material relaxation in chalcogenide OTS SELECTOR materials Type A1 Journal article
  Year (down) 2019 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 215 Issue 215 Pages 110996  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nature of the mobility-gap states in amorphous Ge-rich Ge50Se50 was found to be related to homopolar Ge bonds in the chains/clusters of Ge atoms. Threshold switching material suffers Ge-Ge bond concentration drift during material ageing, which can explain the observed reliability of the aGe(50)Se(50) selector devices. Strong Ge-N bonds were introduced to alleviate the observed instability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000480665600008 Publication Date 2019-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.806  
  Call Number UA @ admin @ c:irua:161905 Serial 6308  
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Author Pourbabak, S.; Orekhov, A.; Samaee, V.; Verlinden, B.; Van Humbeeck, J.; Schryvers, D. pdf  url
doi  openurl
  Title In-Situ TEM Stress Induced Martensitic Transformation in Ni50.8Ti49.2 Microwires Type A1 Journal article
  Year (down) 2019 Publication Shape memory and superelasticity Abbreviated Journal Shap. Mem. Superelasticity  
  Volume 5 Issue 2 Pages 154-162  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In-situ transmission electron microscopy tensile straining is used to study the stress induced martensitic transformation in Ni50.8Ti49.2. Two microwire samples with different heat treatment are investigated from which one single crystal and three polycrystalline TEM specimens, the latter with micro- and nano-size grains, have been produced. The measured Young’s modulus for all TEM specimens is around 70 GPa, considerably higher than the averaged 55 GPa of the original microwire sample. The height of the superelastic stress plateau shows an inverse relationship with the specimen thickness for the polycrystalline specimens. Martensite starts nucleating within the elastic region of the stress–strain curve and on the edges of the specimens while also grain boundaries act as nucleation sites in the polycrystalline specimens. When a martensite plate reaches a grain boundary in the polycrystalline specimen, it initiates the transformation in the neighboring grain at the other side of the grain boundary. In later stages martensite plates coalesce at higher loads in the stress plateau. In highly strained specimens, residual martensite remains after release.  
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  Publisher Place of Publication Editor  
  Language Wos 000472940200002 Publication Date 2019-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2199-384X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Saeid Pourbabak likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. This work was also made possible through the AUHA13009 Grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. Approved Most recent IF: NA  
  Call Number EMAT @ emat @UA @ admin @ c:irua:159989 Serial 5177  
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Author Zhang, Z.; Rosalie, J.M.; Medhekar, N.V.; Bourgeois, L. pdf  doi
openurl 
  Title Resolving the FCC/HCP interfaces of the \gamma'(Ag2Al) precipitate phase in aluminium Type A1 Journal article
  Year (down) 2019 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 174 Issue 174 Pages 116-130  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The gamma'(Ag2Al) phase in the Al-Ag alloy system has served as a textbook example for understanding phase transformations, precipitating hexagonal close-packed (HCP) crystals in the face-centred cubic (FCC) aluminium matrix. The gamma' precipitates display fully coherent interfaces at their broad facets and semicoherent interfaces at their edges. Shockley partial dislocations are expected to decorate the semicoherent interface due to the FCC-HCP structural transformation. Determining the exact locations and core structures of interfacial dislocations, however, remains challenging. In this study, we used aberration-corrected scanning transmission electron microscopy and atomistic simulations to re-visit this classical system. We characterised and explained the Ag segregation at coherent interfaces in the early stage of precipitation. For semicoherent interfaces, interfacial dislocations and reconstructions were revealed by bridging advanced microstructure characterisation and atomistic simulations. In particular, we discovered a new FCC/HCP interfacial structure that displays a unique combination of Shockley partial, Lomer-Cottrell and Hirth dislocations that evolve from the known interfacial structure purely composed by Shockley partial dislocations. Our findings show that the FCC-HCP transformation is more complex than hitherto considered, due to the interplay between structure and composition confined at interfaces. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000474501300011 Publication Date 2019-05-18  
  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 3 Open Access  
  Notes ; The authors acknowledge funding from the Australian Research Council (LE0454166, LE110100223), the Victorian State Government and Monash University for instrumentation, and use of the facilities within the Monash Centre for Electron Microscopy. LB and NM acknowledge the financial support of the Australian Research Council (DP150100558). The authors also gratefully acknowledge the computational support from Monash Advanced Research Computing Hybrid, the National Computational Infrastructure and Pawsey Supercomputing Centre. ZZ is thankful to Monash University for a Monash Graduate Scholarship, a Monash International Postgraduate Research Scholarship and a Monash Centre for Electron Microscopy Postgraduate Scholarship. ZZ is indebted to Matthew Weyland for his training in aberration-corrected electron microscopy, Scott Findlay for his help on image simulations, Xiang Gao for alloy casting and Ian Polmear for discussions. ; Approved Most recent IF: 5.301  
  Call Number UA @ admin @ c:irua:161192 Serial 5395  
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Author Heijkers, S.; Martini, L.M.; Dilecce, G.; Tosi, P.; Bogaerts, A. pdf  url
doi  openurl
  Title Nanosecond Pulsed Discharge for CO2Conversion: Kinetic Modeling To Elucidate the Chemistry and Improve the Performance Type A1 Journal article
  Year (down) 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 123 Issue 19 Pages 12104-12116  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We study the mechanisms of CO2 conversion in a nanosecond repetitively pulsed (NRP) discharge, by means of a chemical kinetics model. The calculated conversions and energy efficiencies are in reasonable agreement with experimental results over a wide range of specific energy input values, and the same applies to the evolution of gas temperature and CO2 conversion as a function of time in the afterglow, indicating that our model provides a realistic picture of the underlying mechanisms in the NRP discharge and can be used to identify its limitations and thus to suggest further improvements. Our model predicts that vibrational excitation is very important in the NRP discharge, explaining why this type of plasma yields energy-efficient CO2 conversion. A significant part of the CO2 dissociation occurs by electronic excitation from the lower vibrational levels toward repulsive electronic states, thus resulting in dissociation. However, vibration−translation (VT) relaxation (depopulating the higher vibrational levels) and CO + O recombination (CO + O + M → CO2 + M), as well as mixing of the converted gas with fresh gas entering the plasma in between the pulses, are limiting factors for the conversion and energy efficiency. Our model predicts that extra cooling, slowing down the rate of VT relaxation and of the above recombination reaction, thus enhancing the contribution of the highest vibrational levels to the overall CO2 dissociation, can further improve the performance of the NRP discharge for energy-efficient CO2 conversion.  
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  Language Wos 000468368800009 Publication Date 2019-05-16  
  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 Not_Open_Access: Available from 26.04.2020  
  Notes Fonds Wetenschappelijk Onderzoek, G.0383.16N ; The authors acknowledge financial support from the Fund for Scientific Research, Flanders (FWO; Grant no. G.0383.16N). Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159976 Serial 5174  
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Author Neyts, E.C. pdf  doi
openurl 
  Title Special Issue on future directions in plasma nanoscience Type Editorial
  Year (down) 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng  
  Volume 13 Issue 2 Pages 199-200  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468848400001 Publication Date 2019-05-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.712 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.712  
  Call Number UA @ admin @ c:irua:160277 Serial 5280  
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Author Vanmeert, F.; De Keyser, N.; van Loon, A.; Klaassen, L.; Noble, P.; Janssens, K. url  doi
openurl 
  Title Transmission and reflection mode macroscopic x-ray powder diffraction imaging for the noninvasive visualization of paint degradation in still life paintings by Jan Davidsz. de Heem Type A1 Journal article
  Year (down) 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 11 Pages 7153-7161  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The use of noninvasive chemical imaging techniques is becoming more widespread for the study of cultural heritage artifacts. Recently a mobile instrument for macroscopic X-ray powder diffraction (MA-XRPD) scanning was developed, which is capable of visualizing the distribution of crystalline (pigment) phases in quasi-flat-painted artifacts. In this study, MA-XRPD is used in both transmission and reflection mode for the analysis of three 17th century still life paintings, two paintings by Jan Davidsz. de Heem (1606-1684) and one copy painting after De Heem by an unknown artist. MA-XRPD allowed to reveal and map the presence of in situ-formed alteration products. In the works examined, two rare lead arsenate minerals, schultenite (PbHAsO4) and mimetite (Pb-5(AsO4)(3)Cl), were encountered, both at and below the paint surface; they are considered to be degradation products of the pigments realgar (alpha-As4S4) and orpiment (As2S3). In transmission mode, the depletion of lead white, present in the (second) ground layer, could be seen, illustrating the intrusive nature of this degradation process. In reflection mode, several sulfate salts, palmierite (K2Pb(SO4)(2)), syngenite (K2Ca(SO4)(2)center dot H2O), and gypsum (CaSO4 center dot 2H(2)O), could be detected, in particular, at the (top) surface of the copy painting. Estimates for the information depth and sensitivity of both transmission and reflection mode MA-XRPD for various pigments have been made. The possibility of MA-XRPD to allow for noninvasive identification and visualization of alteration products is considered a significant advantage and unique feature of this method. MA-XRPD can thus provide highly relevant information for assessing the conservation state of artworks and could guide possible future restoration treatments.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000470793800031 Publication Date 2019-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 5 Open Access  
  Notes ; The authors acknowledge financial support from BELSPO (Brussels) S2-ART and METOX projects, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and the GOA Project Solarpaint (University of Antwerp Research Council). The authors thank the Rijksmuseum, the Royal Museum of Fine Arts Antwerp, and their staff for the collaborations. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:160245 Serial 5882  
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Author Romano, F.P.; Janssens, K. pdf  doi
openurl 
  Title Preface to the special issue on: MA-XRF “developments and applications of macro-XRF in conservation, art, and archeology” (Trieste, Italy, 24 and 25 September 2017) Type Editorial
  Year (down) 2019 Publication X-ray spectrometry Abbreviated Journal X-Ray Spectrom  
  Volume 48 Issue 4 Pages 249-250  
  Keywords Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472210700001 Publication Date 2019-05-10  
  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 Open Access  
  Notes ; ; Approved Most recent IF: 1.298  
  Call Number UA @ admin @ c:irua:161295 Serial 5786  
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Author Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J. url  doi
openurl 
  Title Stabilisation of magnetic ordering in La3Ni2-xCuxB'O9(B'=Sb,Ta,Nb) by the introduction of Cu2+ Type A1 Journal article
  Year (down) 2019 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 276 Issue 276 Pages 164-172  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively.  
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  Language Wos 000473372400023 Publication Date 2019-05-09  
  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 2 Open Access  
  Notes ; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ; Approved Most recent IF: 2.299  
  Call Number UA @ admin @ c:irua:161199 Serial 5396  
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Author Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. pdf  url
doi  openurl
  Title How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion Type A1 Journal article
  Year (down) 2019 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 372 Issue Pages 1253-1264  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as

equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically

investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and

packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in

a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in

combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e.,

power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing

material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the

type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no

apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials

studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23

and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide

a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order

to be able to distinguish plasma effects from true catalytic enhancement.
 
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  Language Wos 000471670400116 Publication Date 2019-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 3 Open Access Not_Open_Access: Available from 05.05.2021  
  Notes European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. Approved Most recent IF: 6.216  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159979 Serial 5171  
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Author Yagmurcukardes, M.; Ozen, S.; Iyikanat, F.; Peeters, F.M.; Sahin, H. url  doi
openurl 
  Title Raman fingerprint of stacking order in HfS2-Ca(OH)(2) heterobilayer Type A1 Journal article
  Year (down) 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue 20 Pages 205405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using density functional theory-based first-principles calculations, we investigate the stacking order dependence of the electronic and vibrational properties of HfS2-Ca(OH)(2) heterobilayer structures. It is shown that while the different stacking types exhibit similar electronic and optical properties, they are distinguishable from each other in terms of their vibrational properties. Our findings on the vibrational properties are the following: (i) from the interlayer shear (SM) and layer breathing (LBM) modes we are able to deduce the AB' stacking order, (ii) in addition, the AB' stacking type can also be identified via the phonon softening of E-g(I) and A(g)(III) modes which harden in the other two stacking types, and (iii) importantly, the ultrahigh frequency regime possesses distinctive properties from which we can distinguish between all stacking types. Moreover, the differences in optical and vibrational properties of various stacking types are driven by two physical effects, induced biaxial strain on the layers and the layer-layer interaction. Our results reveal that with both the phonon frequencies and corresponding activities, the Raman spectrum possesses distinctive properties for monitoring the stacking type in novel vertical heterostructures constructed by alkaline-earth-metal hydroxides.  
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  Corporate Author Thesis  
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  Language Wos 000467387800010 Publication Date 2019-05-06  
  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 23 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the Project No. 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:160334 Serial 5226  
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Author Smolders, S.; Willhammar, T.; Krajnc, A.; Şentosun, K.; Wharmby, M.T.; Lomachenko, K.A.; Bals, S.; Mali, G.; Roeffaers, M.B.J.; De Vos, D.E.; Bueken, B. pdf  doi
openurl 
  Title A titanium(IV)-based metal-organic framework featuring defect-rich Ti-O sheets as an oxidative desulfurization catalyst Type A1 Journal article
  Year (down) 2019 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 58 Issue 58 Pages 9160-9165  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract While titanium-based metal-organic frameworks (MOFs) have been widely studied for their (photo) catalytic potential, only a few Ti-IV MOFs have been reported owing to the high reactivity of the employed titanium precursors. The synthesis of COK-47 is now presented, the first Ti carboxylate MOF based on sheets of (TiO6)-O-IV octahedra, which can be synthesized with a range of different linkers. COK-47 can be synthesized as an inherently defective nanoparticulate material, rendering it a highly efficient catalyst for the oxidation of thiophenes. Its structure was determined by continuous rotation electron diffraction and studied in depth by X-ray total scattering, EXAFS, and solid-state NMR. Furthermore, its photoactivity was investigated by electron paramagnetic resonance and demonstrated by catalytic photodegradation of rhodamine 6G.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476691200034 Publication Date 2019-05-06  
  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 97 Open Access Not_Open_Access  
  Notes ; S.S., B.B., and D.E.D.V. gratefully acknowledge the FWO for funding (Aspirant grant, postdoctoral grant, project funding). T.W. acknowledges a grant from the Swedish research council (VR, 2014-06948). He acknowledges financial support from the Knut and Alice Wallenberg Foundation through the project grant 3DEM-NATUR (no. 2012.0112) as well as for purchasing the TEMs. A.K. and G.M. acknowledge the financial support from the Slovenian Research Agency (research core funding No. P1-0021 and project No. N1-0079). We thank beamline I15-1 (XPDF), Diamond Light Source, for collection of X-ray total scattering data as part of the in-house research program (M.T.W.). A. Venier and O. Mathon are kindly acknowledged for the help during the XAS experiment at BM23 beamline of ESRF. We thank C. Lamberti and L. Braglia for providing the reference EXAFS spectrum of anatase. ; Approved Most recent IF: 11.994  
  Call Number UA @ admin @ c:irua:161932 Serial 5382  
Permanent link to this record
 

 
Author Jishkariani, D.; Elbert, K.C.; Wu, Y.; Lee, J.D.; Hermes, M.; Wang, D.; van Blaaderen, A.; Murray, C.B. pdf  doi
openurl 
  Title Nanocrystal Core Size and Shape Substitutional Doping and Underlying Crystalline Order in Nanocrystal Superlattices Type A1 Journal article
  Year (down) 2019 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 13 Issue 5 Pages 5712-5719  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Substitutional doping is a potentially powerful technique to control the properties of nanocrystal (NC) superlattices (SLs). However, not every NC can be substituted into any lattice, as the NCs have to be close in size and shape, limiting the application of substitutional doping. Here we show that this limitation can be overcome by employing ligands of various size. We show that small NCs with long ligands can be substituted into SLs of big NCs with short ligands. Furthermore, we show that shape differences can also be overcome and that cubes can substitute spheres when both are coated with long ligands. Finally, we use the NC effective ligand size, softness, and effective overall size ratio to explain observed doping behaviors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000469886300078 Publication Date 2019-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 6 Open Access Not_Open_Access  
  Notes ; This work was supported by the University of Pennsylvania's NSF MRSEC under award no. DMR-112090 and the CNRS-UPENN-SOLVAY through the Complex Assemblies of Soft Matter Laboratory (COMPASS). K.C.E. acknowledges support from the NSF Graduate Research Fellowship Program under grant no. DGE-1321851. C.B.M. acknowledges the Richard Perry University Professorship at the University of Pennsylvania. D.W. and A.v.B. acknowledge partial funding from the European Research Council under the European Union's Seventh Framework Programme (FP -2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. M.H. was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The authors thank EM square in Utrecht University for the access to the microscopes. ; Approved Most recent IF: 13.942  
  Call Number UA @ admin @ c:irua:160344 Serial 5256  
Permanent link to this record
 

 
Author Tunca, B.; Lapauw, T.; Delville, R.; Neuville, D.R.; Hennet, L.; Thiaudiere, D.; Ouisse, T.; Hadermann, J.; Vleugels, J.; Lambrinou, K. pdf  doi
openurl 
  Title Synthesis and Characterization of Double Solid Solution (Zr,Ti)(2)(Al,Sn)C MAX Phase Ceramics Type A1 Journal article
  Year (down) 2019 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 58 Issue 10 Pages 6669-6683  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Quasi phase-pure (>98 wt %) MAX phase solid solution ceramics with the (ZryTi)(2)(Al-0.5,Sn-0.5)C stoichiometry and variable Zr/Ti ratios were synthesized by both reactive hot pressing and pressureless sintering of ZrH2, TiH2, Al, Sn, and C powder mixtures. The influence of the different processing parameters, such as applied pressure and sintering atmosphere, on phase purity and microstructure of the produced ceramics was investigated. The addition of Sn to the (Zr,Ti)(2)AlC system was the key to achieve phase purity. Its effect on the crystal structure of a 211-type MAX phase was assessed by calculating the distortions of the octahedral M6C and trigonal M(6)A prisms due to steric effects. The M(6)A prismatic distortion values were found to be smaller in Sn-containing double solid solutions than in the (Zr,Ti)(2)AlC MAX phases. The coefficients of thermal expansion along the < a > and < c > directions were measured by means of Rietveld refinement of high-temperature synchrotron X-ray diffraction data of (Zr1-x,Ti-x)(2)(Al-0.5,Sn-0.5)C MAX phase solid solutions with x = 0, 0.3, 0.7, and 1. The thermal expansion coefficient data of the Ti-2(Al-0.5,Sn-0.5)C solid solution were compared with those of the Ti2AlC and Ti2SnC ternary compounds. The thermal expansion anisotropy increased in the (Zr,Ti)(2)(Al-0.5,Sn-0.5)C double solid solution MAX phases as compared to the Zr-2(Al-0.5,Sn-0.5)C and Ti-2(Al-0.5,Sn-0.5)C end-members.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000469304700014 Publication Date 2019-05-01  
  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 3 Open Access Not_Open_Access  
  Notes ; H. Roussel and D. Pinek are acknowledged for the Ti<INF>2</INF>SnC single-crystal production and high-temperature XRD measurements performed at Grenoble INP-LMGP-CMTC. This research was funded partly by the European Atomic Energy Community's (Euratom) Seventh Framework Programme FP7/2007-2013 under Grant Agreement No. 604862 (FP7MatISSE), and partly by the Euratom research and training programme 2014-2018 under Grant Agreement No. 740415 (H2020 IL TROVATORE). T.L. thanks the Agency for Innovation by Science and Technology (IWT), Flanders, Belgium, for Ph.D. Grant No. 131081. B.T. acknowledges the financial support of the SCK.CEN Academy for Nuclear Science and Technology. All authors gratefully acknowledge Synchrotron SOLEIL for the allocated time at the DIFFABS beamline in association with Project 20161410 entitled “Investigation of (Zr-Ti)-Al-C MAX phases with in-situ high-temperature XRD” and the Hercules Foundation for Project AKUL/1319 (CombiS(T)EM). ; Approved Most recent IF: 4.857  
  Call Number UA @ admin @ c:irua:160318 Serial 5261  
Permanent link to this record
 

 
Author Sui, Y.; Muys, M.; Van de Waal, D.; D'Adamo, S.; Vermeir, P.; Fernandes, T.V.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Enhancement of co-production of nutritional protein and carotenoids in Dunaliella salina using a two-phase cultivation assisted by nitrogen level and light intensity Type A1 Journal article
  Year (down) 2019 Publication Bioresource technology Abbreviated Journal  
  Volume 287 Issue Pages 121398  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Microalga Dunaliella salina is known for its carotenogenesis. At the same time, it can also produce high-quality protein. The optimal conditions for D. salina to co-produce intracellular pools of both compounds, however, are yet unknown. This study investigated a two-phase cultivation strategy to optimize combined high-quality protein and carotenoid production of D. salina. In phase-one, a gradient of nitrogen concentrations was tested. In phase-two, effects of nitrogen pulse and high illumination were tested. Results reveal optimized protein quantity, quality (expressed as essential amino acid index EAAI) and carotenoids content in a two-phase cultivation, where short nitrogen starvation in phase-one was followed by high illumination during phase-two. Adopting this strategy, productivities of protein, EAA and carotenoids reached 22, 7 and 3 mg/L/d, respectively, with an EAAI of 1.1. The quality of this biomass surpasses FAO/WHO standard for human nutrition, and the observed level of β-carotene presents high antioxidant pro-vitamin A activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000469414500008 Publication Date 2019-04-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 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:159661 Serial 7916  
Permanent link to this record
 

 
Author Sakarika, M.; Spiller, M.; Baetens, R.; Donies, G.; Vanderstuyf, J.; Vinck, K.; Vrancken, K.C.; Van Barel, G.; Du Bois, E.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Proof of concept of high-rate decentralized pre-composting of kitchen waste : optimizing design and operation of a novel drum reactor Type A1 Journal article
  Year (down) 2019 Publication Waste management Abbreviated Journal  
  Volume 91 Issue Pages 20-32  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Product development  
  Abstract Each ton of organic household waste that is collected, transported and composted incurs costs (€75/ton gate fee). Reducing the mass and volume of kitchen waste (

KW) at the point of collection can diminish transport requirements and associated costs, while also leading to an overall reduction in gate fees for final processing. To this end, the objective of this research was to deliver a proof of concept for the so-called “urban pre-composter”; a bioreactor for the decentralized, high-rate pre-treatment of KW, that aims at mass and volume reduction at the point of collection. Results show considerable reductions in mass (33%), volume (62%) and organic solids (32%) of real KW, while provision of structure material and separate collection of leachate was found to be unnecessary. The temperature profile, C/N ratio (12) and VS/TS ratio (0.69) indicated that a mature compost can be produced in 68  days (after pre-composting and main composting). An economic Monte Carlo simulation yielded that the urban pre-composter concept is not more expensive than the current approach, provided its cost per unit is €8,000–€14,500 over a 10-year period (OPEX and CAPEX, in 80% of the cases). The urban pre-composter is therefore a promising system for the efficient pre-treatment of organic household waste in an urban context.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000473378700003 Publication Date 2019-04-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0956-053x 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:159579 Serial 8426  
Permanent link to this record
 

 
Author Gaetani, C.; Gheno, G.; Borroni, M.; De Wael, K.; Moretto, L.M.; Ugo, P. pdf  url
doi  openurl
  Title Nanoelectrode ensemble immunosensing for the electrochemical identification of ovalbumin in works of art Type A1 Journal article
  Year (down) 2019 Publication Electrochimica acta Abbreviated Journal Electrochim Acta  
  Volume 312 Issue 312 Pages 72-79  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This research is aimed to the study and application of an electrochemical immunosensor for the detection of ovalbumin (OVA) from egg white (or albumen) used as a binder in some works of art, such as some historical photographic prints and tempera paintings. The immunosensor takes advantage of the interesting biodetection capabilities offered by nanoelectrode ensembles (NEEs). The NEEs used to this aim are prepared by template deposition of gold nanoelectrodes within the pores of track-etched polycarbonate (PC) membranes. The affinity of polycarbonate for proteins is exploited to capture OVA from the aqueous extract obtained by incubation in phosphate buffer of a small sample fragment (<1 mg). The captured protein is reacted selectively with anti-OVA antibody, labelled with glucose oxidase (GOx). In the case of positive response, the addition of the GOx substrate (i.e. glucose) and a suitable redox mediator (a ferrocenyl derivative) reflects in the up rise of an electrocatalytic oxidation current, which depends on the OVA amount captured on the NEE, this amount correlating with OVA concentration in the extract. After optimization, the sensor is successfully applied to identify OVA in photographic prints dating back to the late 19th century, as well as in ancient tempera paintings from the 15th and 18th centuries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468595500008 Publication Date 2019-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:159573 Serial 5743  
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Author Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. pdf  url
doi  openurl
  Title First-principles study of CO and OH adsorption on in-doped ZnO surfaces Type A1 Journal article
  Year (down) 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 132 Issue Pages 172-181  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to

the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of

the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy

of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher

bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting

in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic

and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic

response upon adsorption of CO.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472124700023 Publication Date 2019-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.059 Times cited 7 Open Access Not_Open_Access: Available from 26.04.2021  
  Notes FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; Approved Most recent IF: 2.059  
  Call Number EMAT @ emat @UA @ admin @ c:irua:159656 Serial 5170  
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Author Chekol Zewdie, M.; Van Passel, S.; Cools, J.; Tenessa, D.B.; Ayele, Z.A.; Tsegaye, E.A.; Minale, A.S.; Nyssen, J. pdf  doi
openurl 
  Title Direct and indirect effect of irrigation water availability on crop revenue in northwest Ethiopia : a structural equation model Type A1 Journal article
  Year (down) 2019 Publication Agricultural Water Management Abbreviated Journal Agr Water Manage  
  Volume 220 Issue 220 Pages 27-35  
  Keywords A1 Journal article; Economics; Engineering Management (ENM)  
  Abstract Development of a clear understanding of the relationship between the availability of dam-driven irrigation water and crop revenue is important in poverty reduction and food security process. As a result, large research efforts are devoted to understanding the relationship between the availability of irrigation water and crop revenue. However, earlier studies do have several limitations. For example, without considering its indirect effect, prior studies focused solely on the direct effect of availability of irrigation water on crop revue. In this study, using a structural equation model analysis, the direct and indirect effect of availability of dam-driven irrigation water on crop revenue is decomposed and quantified specifically for the Koga irrigation scheme, located in the Mecha district of Amhara region in Ethiopia. A primary data set was collected from a randomly selected sample of 450 households in the Koga irrigation scheme. More than half of the households (254) are supported by the Koga Dam irrigation water during the dry season, and the other 196 households depended only on rainfall. The results of the study showed that, in addition to its direct effect, the availability of irrigation water indirectly affected crop revenue through receptivity of the farmers to use modern farm inputs. Around 27 percent of the total effect of dam-driven irrigation water on crop revenue was mediated by farmers’ receptivity to use yield-enhancing modern farm inputs. The results of this study suggested that the availability of irrigation water is essential to improve both crop revenue and receptivity of the farmers to use modern farm inputs. This finding also drives a strategic framework that the receptivity of the farmers to use modern farm inputs is crucial for utilizing the positive effects of irrigation water availability on crop revenue.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000470941300003 Publication Date 2019-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-3774 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.848 Times cited 1 Open Access  
  Notes ; The authors would like to thank Bahir Dar University – Institutional University Cooperation (BDU-IUC) VLIR_UOS project for providing us enough funds for the completion of this study. Special gratitude is given to Abrehet Kahassay and Kassahun Birhanu for helping us to map the study area; and to the data collectors (Hilemichael Fentahun, Etsehewot Birara, and Tsegachewu Degu) for their commitment. The authors gratefully acknowledge the Koga Irrigation Scheme office managers, Tewachewu Abebe, and his colleagues for their support during the data collection. The authors also acknowledge the farmers (respondents) for their willingness to spend time responding honestly to questions. ; Approved Most recent IF: 2.848  
  Call Number UA @ admin @ c:irua:159246 Serial 6182  
Permanent link to this record
 

 
Author Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F. url  doi
openurl 
  Title Tuning the electronic and magnetic properties of antimonene nanosheets via point defects and external fields: first-principles calculations Type A1 Journal article
  Year (down) 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 21 Issue 20 Pages 10552-10566  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Defects are inevitably present in materials, and their existence in a material strongly affects its fundamental physical properties. We have systematically investigated the effects of surface adsorption, substitutional impurities, defect engineering, an electric field and strain engineering on the structural, electronic and magnetic properties of antimonene nanosheets, using spin-polarized density functional calculations based on first-principles. The adsorption or substitution of atoms can locally modify the atomic and electronic structures as well as induce a variety of electronic behaviors including metal, half-metal, ferromagnetic metal, dilute magnetic semiconductor and spin-glass semiconductor. Our calculations show that the presence of typical defects (vacancies and Stone-Wales defect) in antimonene affects the geometrical symmetry as well as the band gap in the electronic band structure and induces magnetism to antimonene. Moreover, by applying an external electric field and strain (uniaxial and biaxial), the electronic structure of antimonene can be easily modified. The calculation results presented in this paper provide a fundamental insight into the tunable nature of the electronic properties of antimonene, supporting its promise for use in future applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476561000031 Publication Date 2019-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 17 Open Access  
  Notes ; ; Approved Most recent IF: 4.123  
  Call Number UA @ admin @ c:irua:161945 Serial 5430  
Permanent link to this record
 

 
Author Bogaerts, A.; Zhang, Q.-Z.; Zhang, Y.-R.; Van Laer, K.; Wang, W. pdf  url
doi  openurl
  Title Burning questions of plasma catalysis: Answers by modeling Type A1 Journal article
  Year (down) 2019 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 337 Issue Pages 3-14  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma catalysis is promising for various environmental, energy and chemical synthesis applications, but the underlying mechanisms are far from understood. Modeling can help to obtain a better insight in these mechanisms. Some burning questions relate to the plasma behavior inside packed bed reactors and whether plasma can penetrate into catalyst pores. In this paper, we try to provide answers to these questions, by means of both fluid modeling and particle-in-cell/Monte Carlo collision simulations. We present a short overview of recent findings obtained in our group by means of modeling, i.e., the enhanced electric field near the contact points and the streamer propagation through the packing in packed bed reactors, as well as the plasma behavior in catalyst pores, to determine the minimum pore size in which plasma streamers can penetrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000482179500002 Publication Date 2019-04-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 7 Open Access  
  Notes University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc”; “CryoEtch” within Horizon2020, 657304 702604 ;We would like to thank H.-H. Kim for performing experiments to validate the modeling of streamer propagation in packed bed reactors. We acknowledge financial support from the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc” and “CryoEtch” within Horizon2020 (Grant Nos. 657304 and 702604). Approved Most recent IF: 4.636  
  Call Number PLASMANT @ plasmant @c:irua:161775 Serial 5356  
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. url  doi
openurl 
  Title C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain Type A1 Journal article
  Year (down) 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 123 Issue 19 Pages 12485-12499  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional polyaniline with structural unit C3N is an indirect semiconductor with 0.4 eV band gap, which has attracted a lot of interest because of its unusual electronic, optoelectronic, thermal, and mechanical properties useful for various applications. Adsorption of adatoms is an effective method to improve and tune the properties of C3N. Using first-principles calculations, we investigated the adsorption of adatoms, including H, O, S, F, Cl, B, C, Si, N, P, Al, Li, Na, K, Be, Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, on C3N. Depending on the adatom size and the number of valence electrons, they may induce metallic, half-metallic, semiconducting, and ferromagnetic-metallic behavior. In addition, we investigate the effects of an electrical field, charging, and strain on C3N and found how the electronic and magnetic properties are modified. Semi- and full hydrogenation are studied. From the mechanical and thermal stability of C3N monolayer, we found it to be a hard material that can withstand large strain. From our calculations, we gained novel insights into the properties of C3N demonstrating its unique electronic and magnetic properties that can be useful for semiconducting, nanosensor, and catalytic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468368800053 Publication Date 2019-04-24  
  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 67 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FW0-V1). The authors thank Keyvan Nazifi from the Cluster Center of Faculty of Science, Guilan University, for his help. They acknowledge OpenMX team for OpenMX code. ; Approved Most recent IF: 4.536  
  Call Number UA @ admin @ c:irua:160323 Serial 5196  
Permanent link to this record
 

 
Author Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. pdf  doi
openurl 
  Title A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion Type A1 Journal article
  Year (down) 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 3 Pages 035030  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Heterostructures of low-dimensional semiconducting materials, such as transition metal dichalcogenides (MX2), are promising building blocks for future electronic and optoelectronic devices. The patterning of one MX2 material on top of another one is challenging due to their structural similarity. This prevents an intrinsic etch stop when conventional anisotropic dry etching processes are used. An alternative approach consist in a two-step process, where a sacrificial silicon layer is pre-patterned with a low damage plasma process, stopping on the underlying MoS2 film. The pre-patterned layer is used as sacrificial template for the formation of the top WS2 film. This study describes the optimization of a cyclic Ar/Cl-2 atomic layer etch process applied to etch silicon on top of MoS2, with minimal damage, followed by a selective conversion of the patterned Si into WS2. The impact of the Si atomic layer etch towards the MoS2 is evaluated: in the ion energy range used for this study, MoS2 removal occurs in the over-etch step over 1-2 layers, leading to the appearance of MoOx but without significant lattice distortions to the remaining layers. The combination of Si atomic layer etch, on top of MoS2, and subsequent Si-to-WS2 selective conversion, allows to create a WS2/MoS2 heterostructure, with clear Raman signals and horizontal lattice alignment. These results demonstrate a scalable, transfer free method to achieve horizontally individually patterned heterostacks and open the route towards wafer-level processing of 2D materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468335500004 Publication Date 2019-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:160229 Serial 5266  
Permanent link to this record
 

 
Author Semlali, B.-eddine B.; El Amrani, C.; Denys, S. pdf  doi
openurl 
  Title Development of a Java-based application for environmental remote sensing data processing Type A1 Journal article
  Year (down) 2019 Publication International Journal of Electrical and Computer Engineering Abbreviated Journal  
  Volume 9 Issue 3 Pages 1978-1986  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Air pollution is one of the most serious problems the world faces today. It is highly necessary to monitor pollutants in real-time to anticipate and reduce damages caused in several fields of activities. Likewise, it is necessary to provide decision makers with useful and updated environmental data. As a solution to a part of the above-mentioned necessities, we developed a Java-based application software to collect, process and visualize several environmental and pollution data, acquired from the Mediterranean Dialog earth Observatory (MDEO) platform [1]. This application will amass data of Morocco area from EUMETSAT satellites, and will decompress, filter and classify the received datasets. Then we will use the processed data to build an interactive environmental real-time map of Morocco. This should help finding out potential correlations between pollutants and emitting sources.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2019-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2088-8708 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:163847 Serial 7799  
Permanent link to this record
 

 
Author Moro, G.; De Wael, K.; Moretto, L.M. pdf  url
doi  openurl
  Title Challenges in the electrochemical (bio)sensing of non-electroactive food and environmental contaminants Type A1 Journal article
  Year (down) 2019 Publication Current opinion in electrochemistry Abbreviated Journal  
  Volume 16 Issue 16 Pages 57-65  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The electrochemical detection of non-electroactive contaminants can be successfully faced via the use of indirect detection strategies. These strategies can provide sensitive and selective responses often coupled with portable and user-friendly analytical tools. Indirect detection strategies are usually based on the change in the signal of an electroactive probe, induced by the presence of the target molecule at a modified electrode. This critical review aims at addressing the developments in indirect electro-sensing strategies for non-electroactive contaminants in food and environmental analysis in the last years (2017-2019). Emphasis is given to the strategy design, the electrode modifiers used and the feasibility of technological transfer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000485814400010 Publication Date 2019-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2451-9103; 2451-9111 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:159574 Serial 5498  
Permanent link to this record
 

 
Author Kulkarni, S.; Gonzalez-Quiroga, A.; Nuñez, M.; Schuerewegen, C.; Perreault, P.; Goel, C.; Heynderickx, G.J.; Van Geem, K.M.; Marin, G.B. pdf  doi
openurl 
  Title An experimental and numerical study of the suppression of jets, counterflow, and backflow in vortex units Type A1 Journal article
  Year (down) 2019 Publication AIChE journal Abbreviated Journal  
  Volume 65 Issue 8 Pages e16614-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Vortex units are commonly considered for various single and multiphase applications due to their process intensification capabilities. The transition from gas‐only flow to gas–solid flow remains largely unexplored nonetheless. During this transition, primary flow phenomenon, jets, and secondary flow phenomena, counterflow and backflow, are substantially reduced, before a rotating solids bed is established. This transitional flow regime is referred to as the vortex suppression regime. In the present work, this flow transition is identified and validated through experimental and computational studies in two vortex units with a scale differing by a factor of 2, using spherical aluminum and alumina particles. This experimental data supports the proposed theoretical particle monolayer solids loading that allows estimation of vortex suppression regime solids capacity for any vortex unit. It is shown that the vortex suppression regime is established at a solids loading theoretically corresponding to a monolayer being formed in the unit for 1g‐Geldart D‐ and 1g‐Geldart B‐type particles. The model closely agrees with experimental vortex suppression range for both aluminum and alumina particles. The model, as well as the experimental data, shows that the flow suppression regime depends on unit dimensions, particle diameter, and particle density but is independent of gas flow rate. This combined study, based on experimental and computational data and on a theoretical model, reveals the vortex suppression to be one of the basic operational parameters to study flow in a vortex unit and that a simple monolayer model allows to estimate the needed solids loading for any vortex device to induce this flow transition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000474620800026 Publication Date 2019-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0001-1541 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:162121 Serial 7945  
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Author Torre, I.; de Castro, L.V.; Van Duppen, B.; Barcons Ruiz, D.; Peeters, F.M.; Koppens, F.H.L.; Polini, M. url  doi
openurl 
  Title Acoustic plasmons at the crossover between the collisionless and hydrodynamic regimes in two-dimensional electron liquids Type A1 Journal article
  Year (down) 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue 14 Pages 144307  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hydrodynamic flow in two-dimensional electron systems has so far been probed only by dc transport and scanning gate microscopy measurements. In this work we discuss theoretically signatures of the hydrodynamic regime in near-field optical microscopy. We analyze the dispersion of acoustic plasmon modes in two-dimensional electron liquids using a nonlocal conductivity that takes into account the effects of (momentumconserving) electron-electron collisions, (momentum-relaxing) electron-phonon and electron-impurity collisions, and many-body interactions beyond the celebrated random phase approximation. We derive the dispersion and, most importantly, the damping of acoustic plasmon modes and their coupling to a near-field probe, identifying key experimental signatures of the crossover between collisionless and hydrodynamic regimes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000465160000003 Publication Date 2019-04-18  
  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 10 Open Access  
  Notes ; This work has been sponsored by the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 785219 “Graphene Core2” and via the European Research Council (ERC) Grant Agreement No. 786285. B.V.D. is supported by a post-doctoral fellowship of the Flemish Science Foundation (FWO-Vl). F.H.L.K. acknowledges financial support from the Spanish Ministry of Economy and Competitiveness, through the “ Severo Ochoa” Programme for Centres of Excellence in R&D (SEV-2015-0522), support by Fundacio Cellex Barcelona, Generalitat de Catalunya through the CERCA program, and the Mineco grant Plan Nacional (FIS2016-81044-P) and the Agency for Management of University and Research Grants (AGAUR) 2017 SGR 1656. F.M.P. and L.V.d.C. were supported by the Methusalem Program of the Flemish Government. We thank Niels Hesp and Hanan Hertzig Sheinfux for useful discussions. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:159333 Serial 5193  
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Author Gasparotto, A.; Maccato, C.; Carraro, G.; Sada, C.; Štangar, U.L.; Alessi, B.; Rocks, C.; Mariotti, D.; La Porta, A.; Altantzis, T.; Barreca, D. url  doi
openurl 
  Title Surface Functionalization of Grown-on-Tip ZnO Nanopyramids: From Fabrication to Light-Triggered Applications Type A1 Journal Article
  Year (down) 2019 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 11 Issue 17 Pages 15881-15890  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract We report on a combined chemical vapor deposition (CVD)/radio frequency (RF) sputtering synthetic strategy for the controlled surface modification of ZnO nanostructures by Ti-containing species. Specifically, the proposed approach consists in the CVD of grown-on-tip ZnO nanopyramids, followed by titanium RF sputtering under mild conditions. The results obtained by a thorough characterization demonstrate the successful ZnO surface functionalization with dispersed Ti-containing species in low amounts. This phenomenon, in turn, yields a remarkable enhancement of photoactivated superhydrophilic behavior, self-cleaning ability, and photocatalytic performances in comparison to bare ZnO. The reasons accounting for such an improvement are unravelled by a multitechnique analysis, elucidating the interplay between material chemico-physical properties and the corresponding functional behavior. Overall, the proposed strategy stands as an amenable tool for the mastering of semiconductor-based functional nanoarchitectures through ad hoc engineering of the system surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000466988800078 Publication Date 2019-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links  
  Impact Factor 7.504 Times cited 1 Open Access Not_Open_Access  
  Notes The research leading to these results has received financial support from Padova University ACTION postdoc fellowship, DOR 2016-2018, P-DiSC #03BIRD2016-UNIPD projects, and HERALD COST Action MP1402-37831. The support from EPSRC (awards EP/R008841/1 and EP/M024938/1) as well as from the Slovenian Research Agency (research core funding No. P1-0134) is also recognized. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors are grateful to Dr. Sebastiano Pianta (Department of Chemical Sciences, Padova University, Italy) for experimental assistance. Approved Most recent IF: 7.504  
  Call Number EMAT @ emat @ Serial 5185  
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