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Author Zhao, X.N.; Xu, W.; Xiao, Y.M.; Van Duppen, B.
  Title Spin polarization in monolayer MoS₂ in the presence of proximity-induced interactions Type A1 Journal article
  Year 2020 Publication (down) International Journal Of Modern Physics C Abbreviated Journal Int J Mod Phys C
  Volume 31 Issue 10 Pages 2050143
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract When monolayer (ML) MoS2 is placed on a substrate, the proximity-induced interactions such as the Rashba spin-orbit coupling (RSOC) and exchange interaction (EI) can be introduced. Thus, the electronic system can behave like a spintronic device. In this study, we present a theoretical study on how the presence of the RSCO and EI can lead to the band splitting, the lifting of the valley degeneracy and to the spin polarization in n- and p-type ML MoS2. We find that the maxima of the in-plane spin orientation in the conduction and valence bands in ML MoS2 depend on the Rashba parameter and the effective Zeeman field factor. At a fixed Rashba parameter, the minima of the split conduction band and the maxima of the split valence band along with the spin polarization in ML MoS2 can be tuned effectively by varying the effective Zeeman field factor. On the basis that the EI can be induced by placing the ML MoS2 on a ferromagnetic substrate or by magnetic doping in ML MoS2, we predict that the interesting spintronic effects can be observed in n- and p-type ML MoS2. This work can be helpful to gain an in-depth understanding of the basic physical properties of ML MoS2 for application in advanced electronic and optoelectronic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000583803200009 Publication Date 2020-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0129-1831 ISBN Additional Links UA library record; WoS full record
  Impact Factor 1.9 Times cited Open Access
  Notes ; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province and by the Chinese Academy of Sciences. ; Approved Most recent IF: 1.9; 2020 IF: 1.171
  Call Number UA @ admin @ c:irua:173635 Serial 6609
Permanent link to this record
 

 
Author van Dyck, D.; Van Aert, S.; Croitoru, M.
  Title Atomic resolution electron tomography: a dream? Type A1 Journal article
  Year 2006 Publication (down) International journal of materials research Abbreviated Journal Int J Mater Res
  Volume 97 Issue 7 Pages 872-879
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000239916700003 Publication Date 2013-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-5282;2195-8556; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.681 Times cited 6 Open Access
  Notes Approved Most recent IF: 0.681; 2006 IF: NA
  Call Number UA @ lucian @ c:irua:60965 Serial 176
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Author Lebedev, O.I.; Bals, S.; Van Tendeloo, G.; Snoeck, G.E.; Retoux, R.; Boudin, S.; Hervieu, M.
  Title Mixed (Sr1-xCax)33Bi24Al48O141 fullerenoids: the defect structure analysed by (S)TEM techniques Type A1 Journal article
  Year 2006 Publication (down) International journal of materials research Abbreviated Journal Int J Mater Res
  Volume 97 Issue 7 Pages 978-984
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract (Sr1-xCax)(33)Bi-24,partial derivative Al48O141+3 partial derivative/2 fullerenoid solid solutions have been synthesized and the effect of partial substitution of Sr by Ca has been characterized by (scanning) transmission electron microscopy, applying different imaging methods. Most of the defects commonly observed in face centered cubic compounds, have also been observed in (Sr1-xCax)(33)Bi24-partial derivative Al48O141+3 partial derivative/2. Based on purely geometrical and topological models, structural presentations for the coherent twin boundaries and stacking faults have been constructed on the basis of complex spherical “Al84O210” units. The results are compared to defects observed in the crystallite fullerite C-60.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000239916700017 Publication Date 2013-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-5282;2195-8556; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.681 Times cited 1 Open Access
  Notes Approved Most recent IF: 0.681; 2006 IF: NA
  Call Number UA @ lucian @ c:irua:60966 Serial 2091
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Author Van Nijen, K.; Van Passel, S.; Brown, C.G.; Lodge, M.W.; Segerson, K.; Squires, D.
  Title The development of a payment regime for deep sea mining activities in the area through stakeholder participation Type A1 Journal article
  Year 2019 Publication (down) International Journal Of Marine And Coastal Law Abbreviated Journal Int J Mar Coast Law
  Volume 34 Issue 4 Pages 571-601
  Keywords A1 Journal article; Economics; Law; Engineering Management (ENM)
  Abstract In July 2015, the Council of the International Seabed Authority (ISA) adopted seven priority deliverables for the development of the exploitation code. The first priority was the development of a zero draft of the exploitation regulations. This article focusses on the second priority deliverable, namely the development of a payment mechanism for exploitation activities, following detailed financial and economic models based on proposed business plans. Between 2015 and 2017, five workshops have been organised with 196 active participants from 34 countries. The results so far are synthesised, drawing upon the outcome of these workshops, ISA technical papers, and the scholarly literature.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000496420700002 Publication Date 2019-08-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0927-3522 ISBN Additional Links UA library record; WoS full record
  Impact Factor 0.362 Times cited Open Access
  Notes ; ; Approved Most recent IF: 0.362
  Call Number UA @ admin @ c:irua:164294 Serial 6181
Permanent link to this record
 

 
Author Rafiaani, P.; Kuppens, T.; Thomassen, G.; Van Dael, M.; Azadi, H.; Lebailly, P.; Van Passel, S.
  Title A critical view on social performance assessment at company level : social life cycle analysis of an algae case Type A1 Journal article
  Year 2020 Publication (down) International Journal Of Life Cycle Assessment Abbreviated Journal Int J Life Cycle Ass
  Volume Issue Pages
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract Purpose Social indicators are not easy to be quantitatively analyzed, although at the local scale, the social impacts might be relevant and important. Using the existing approaches for both quantitative and semi-qualitative measurements, this study aims to assess the social impacts of a company working on algae production systems in Belgium through social life cycle analysis (SLCA). By highlighting the opportunities and challenges on the way of applying the existing SLCA approaches at company level, the objective of this study is to contribute to the development of a suitable and clear SLCA approach when a company is considered as the unit of analysis. Methods Based on the list of potential social impact categories suggested by the United Nations Environment Program/Society of Environmental Toxicology and Chemistry (UNEP/SETAC) guidelines (2009) for SLCA, three stakeholder groups (workers, consumers, and local community) and three subcategories associated with each stakeholder group were identified as the most relevant for carbon capture and utilization technologies. Company and sector level data were collected using existing documents and reports, and the data were analyzed and scored using a combined quantitative and semi-quantitative approach to develop a social assessment model for the case study. Results and discussion The company appears to perform well for all the evaluated social indicators except the one related to the subcategory “equal opportunity/discrimination for workers” for which the share of women employed is lower compared with the sector-level data. The results of our assessment were further discussed regarding the challenges and limitations of performing SLCA at the company level. Based on our experience, the validity of the outcomes is significantly influenced by the data availability, the generality of the indicators introduced within the UNEP/SETAC guidelines, and the subjectivity in data collection for the semi-quantitative assessment among others. Conclusions By highlighting the difficulties and challenges of applying the SLCA at the company level, our study provides a starting point for improving the quantitative assessment and monitoring social implications at the company level within a regional foreground in Europe.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000492643600001 Publication Date 2019-10-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0948-3349; 1614-7502 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited 1 Open Access
  Notes ; ; Approved Most recent IF: 4.8; 2020 IF: 3.173
  Call Number UA @ admin @ c:irua:164676 Serial 6141
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Author Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.; Pavlyuk, B.P.; Rozova, M.G.; Antipov, E.V.
  Title Structural transformation in fluorinated LaACuGaO5 (A=Ca, Sr) brownmillerites Type A1 Journal article
  Year 2000 Publication (down) International journal of inorganic materials Abbreviated Journal Int J Inorg Mater
  Volume 2 Issue 6 Pages 493-502
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000165985400005 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1466-6049; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 13 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:36043 Serial 3265
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Author Delmelle, R.; Amin-Ahmadi, B.; Sinnaeve, M.; Idrissi, H.; Pardoen, T.; Schryvers, D.; Proost, J.
  Title Effect of structural defects on the hydriding kinetics of nanocrystalline Pd thin films Type A1 Journal article
  Year 2015 Publication (down) International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
  Volume 40 Issue 40 Pages 7335-7347
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract While the microstructure of a metal is well-known to affect its equilibrium hydrogen uptake and therefore the hydriding thermodynamics, microstructural effects on the hydriding kinetics are much less documented. Moreover, for thin film systems, such microstructural effects are difficult to separate from the internal stress effect, since most defects generate internal stresses. Such a decoupling has been achieved in this paper for nanocrystalline Pd thin film model systems through the use of a high-resolution, in-situ curvature measurement set-up during Pd deposition, annealing and hydriding. This set-up allowed producing Pd thin films with similar internal stress levels but significantly different microstructures. This was evidenced from detailed defect statistics obtained by transmission electron microscopy, which showed that the densities of grain boundaries, dislocations and twin boundaries have all been lowered by annealing. The same set-up was then used to study the hydriding equilibrium and kinetic behaviour of the resulting films at room temperature. A full quantitative analysis of their hydriding cycles showed that the rate constants of both the adsorption- and absorption-limited kinetic regimes were strongly affected by microstructure. Defect engineering was thereby shown to increase the rate constants for hydrogen adsorption and absorption in Pd by a factor 40 and 30, respectively. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000355884300012 Publication Date 2015-05-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 13 Open Access
  Notes Iap 7/21 Approved Most recent IF: 3.582; 2015 IF: 3.313
  Call Number c:irua:126429 Serial 838
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Author Pasquini, L.; Sacchi, M.; Brighi, M.; Boelsma, C.; Bals, S.; Perkisas, T.; Dam, B.
  Title Hydride destabilization in core-shell nanoparticles Type A1 Journal article
  Year 2014 Publication (down) International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
  Volume 39 Issue 5 Pages 2115-2123
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract We present a model that describes the effect of elastic constraint on the thermodynamics of hydrogen absorption and desorption in biphasic core-shell nanoparticles, where the core is a hydride forming metal. In particular, the change of the hydride formation enthalpy and of the equilibrium pressure for the metal/hydride transformation are described as a function of nanoparticles radius, shell thickness, and elastic properties of both core and shell. To test the model, the hydrogen sorption isotherms of Mg-MgO core-shell nanoparticles, synthesized by inert gas condensation, were measured by means of optical hydrogenography. The model's predictions are in good agreement with the experimentally determined plateau pressure of hydrogen absorption. The features that a core-shell systems should exhibit in view of practical hydrogen storage applications are discussed with reference to the model and the experimental results. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000331344800022 Publication Date 2014-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 32 Open Access Not_Open_Access
  Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313
  Call Number UA @ lucian @ c:irua:115785 Serial 1528
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Author Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A.
  Title Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 Type A1 Journal article
  Year 2013 Publication (down) International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
  Volume 38 Issue 36 Pages 16098-16120
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000327904500027 Publication Date 2013-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 40 Open Access
  Notes Approved Most recent IF: 3.582; 2013 IF: 2.930
  Call Number UA @ lucian @ c:irua:111372 Serial 1642
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Author Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B.
  Title The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers Type A1 Journal article
  Year 2014 Publication (down) International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
  Volume 39 Issue 30 Pages 17092-17103
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000343839000031 Publication Date 2014-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 15 Open Access Not_Open_Access
  Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313
  Call Number UA @ lucian @ c:irua:121175 Serial 3575
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Author Andersen, J.A.; Christensen, J.M.; Østberg, M.; Bogaerts, A.; Jensen, A.D.
  Title Plasma-catalytic ammonia decomposition using a packed-bed dielectric barrier discharge reactor Type A1 Journal article
  Year 2022 Publication (down) International Journal Of Hydrogen Energy Abbreviated Journal Int J Hydrogen Energ
  Volume 47 Issue 75 Pages 32081-32091
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma-catalytic ammonia decomposition as a method for producing hydrogen was studied in a packed-bed dielectric barrier discharge (DBD) reactor at ambient pressure and a fixed plasma power. The influence of packing the plasma zone with various dielectric materials, typically used as catalyst supports, was examined. At conditions (21 W, 75 Nml/min NH3) where an NH3 conversion of 5% was achieved with plasma alone, an improved decomposition was found when introducing dielectric materials with dielectric constants between 4 and 30. Of the tested materials, MgAl2O4 yielded the highest conversion (15.1%). The particle size (0.3-1.4 mm) of the MgAl2O4 packing was found to have a modest influence on the conversion, which dropped from 15.1% to 12.6% with increasing particle size. Impregnation of MgAl2O4 with different metals was found to decrease the NH3 conversion, with the Ni impregnation still showing an improved conversion (7%) compared to plasma-only. The plasma-assisted ammonia decomposition occurs in the gas phase due to micro-discharges, as evident from a linear correlation between the conversion and the frequency of micro-discharges for both plasma alone and with the various solid packing materials. The primary function of the solid is thus to facilitate the gas phase reaction by assisting the creation of micro-discharges. Lastly, insulation of the reactor to raise the temperature to 230 degrees C in the plasma zone was found to have a negative effect on the conversion, as a change from volume discharges to surface discharges occurred. The study shows that NH3 can be decomposed to provide hydrogen by exposure to a non-thermal plasma, but further developments are needed for it to become an energy efficient technology. (C)2022 The Author(s). Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000865421200012 Publication Date 2022-08-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.2 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 7.2
  Call Number UA @ admin @ c:irua:191512 Serial 7191
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Author Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C.
  Title Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? Type A1 Journal article
  Year 2024 Publication (down) International journal of hydrogen energy Abbreviated Journal
  Volume 55 Issue Pages 640-610
  Keywords A1 Journal article; Engineering sciences. Technology; Modelling and Simulation in Chemistry (MOSAIC); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The safe and efficient use of hydrogen energy, which is in high demand worldwide today, requires efficient hydrogen storage. Despite significant advances in hydrogen storage using carbon-based nanomaterials, including carbon nanotubes (CNTs), efforts to substantially increase the storage capacity remain less effective. In this work, we demonstrate the effect of endohedral transition metal atoms on the hydrogen storage capacity of CNTs using reactive molecular dynamics simulations. We find that an increase in the volume fraction of endohedral nickel atoms leads to an increase in the concentration of physisorbed hydrogen molecules around single-walled CNTs (SWNTs) by approximately 1.6 times compared to pure SWNTs. The obtained results provide insight into the underlying mechanisms of how endohedral transition metal atoms enhance the hydrogen storage ability of SWNTs under nearly ambient conditions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001142427400001 Publication Date 2023-11-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.2 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 7.2; 2024 IF: 3.582
  Call Number UA @ admin @ c:irua:202315 Serial 9006
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Author Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A.
  Title Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 Type A1 Journal article
  Year 2016 Publication (down) International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND Abbreviated Journal Int J Hydrogen Energ
  Volume 41 Issue 41 Pages 14404-14428
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
  Language Wos 000381950800051 Publication Date 2016-05-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 89 Open Access Not_Open_Access
  Notes All the authors greatly thank the COST Action MP1103 for financial support. Approved Most recent IF: 3.582
  Call Number UA @ lucian @ c:irua:135723 Serial 4307
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Author Wonders, J.H.A.M.; Houweling, S.; de Bont, F.A.J.; van Leeuwen, H.P.; Eeckhaoudt, S.M.; Van Grieken, R.
  Title Characterization of aerosol-associated lead by DPASV and LAMMA Type A1 Journal article
  Year 1994 Publication (down) International journal of environmental analytical chemistry Abbreviated Journal
  Volume 56 Issue Pages 193-205
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1994PF99800002 Publication Date 2007-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0306-7319 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:9514 Serial 7611
Permanent link to this record
 

 
Author Vanderborght, B.M.; Van Grieken, R.E.
  Title Trace metal analysis of water containing humic substances by X-ray fluorescence Type A1 Journal article
  Year 1978 Publication (down) International journal of environmental analytical chemistry Abbreviated Journal
  Volume 5 Issue 3 Pages 221-237
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1978FR88000005 Publication Date 2007-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0306-7319 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:116570 Serial 8692
Permanent link to this record
 

 
Author Semenov, M.Y.; Spolnik, Z.; Granina, L.; Van Grieken, R.
  Title Ultra-thin window electron probe microanalysis of suspended particles in tributaries of Lake Baikal, Siberia Type A1 Journal article
  Year 2005 Publication (down) International journal of environmental analytical chemistry Abbreviated Journal
  Volume 85 Issue 6 Pages 377-386
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000229611800003 Publication Date 2007-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0306-7319 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:52360 Serial 8701
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Author Boumahdi, M.; El Amrani, C.; Denys, S.
  Title An innovative air purification method and neural network algorithm applied to urban streets Type A1 Journal article
  Year 2019 Publication (down) International journal of embedded and real-time communication systems Abbreviated Journal
  Volume 10 Issue 4 Pages 1-19
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In the present work, multiphysics modeling was used to investigate the feasibility of a photocatalysis-based outdoor air purifying solution that could be used in high polluted streets, especially street canyons. The article focuses on the use of a semi-active photocatalysis in the surfaces of the street as a solution to remove anthropogenic pollutants from the air. The solution is based on lamellae arranged horizontally on the wall of the street, coated with a photocatalyst (TiO2), lightened with UV light, with a dimension of 8 cm × 48 cm × 1 m. Fans were used in the system to create airflow. A high purification percentage was obtained. An artificial neural network (ANN) was used to predict the optimal purification method based on previous simulations, to design purification strategies considering the energy cost. The ANN was used to forecast the amount of purified with a feed-forward neural network and a backpropagation algorithm to train the model.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2019-09-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-5225-7199-5 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:162595 Serial 8103
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Author de Backer, J.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Parizel, P.M.; de Backer, W.
  Title Effect of high-dose N-acetylcysteine on airway geometry, inflammation, and oxidative stress in COPD patients Type A1 Journal article
  Year 2013 Publication (down) International Journal Of Chronic Obstructive Pulmonary Disease Abbreviated Journal Int J Chronic Obstr
  Volume 8 Issue Pages 569-579
  Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
  Abstract Background: Previous studies have demonstrated the potential beneficial effect of N-acetylcysteine (NAC) in chronic obstructive pulmonary disease (COPD). However, the required dose and responder phenotype remain unclear. The current study investigated the effect of high-dose NAC on airway geometry, inflammation, and oxidative stress in COPD patients. Novel functional respiratory imaging methods combining multislice computed tomography images and computer-based flow simulations were used with high sensitivity for detecting changes induced by the therapy. Methods: Twelve patients with Global Initiative for Chronic Obstructive Lung Disease stage II COPD were randomized to receive NAC 1800 mg or placebo daily for 3 months and were then crossed over to the alternative treatment for a further 3 months. Results: Significant correlations were found between image-based resistance values and glutathione levels after treatment with NAC (P = 0.011) and glutathione peroxidase at baseline (P = 0.036). Image-based resistance values appeared to be a good predictor for glutathione peroxidase levels after NAC (P = 0.02), changes in glutathione peroxidase levels (P = 0.035), and reduction in lobar functional residual capacity levels (P = 0.00084). In the limited set of responders to NAC therapy, the changes in airway resistance were in the same order as changes induced by budesonide/formoterol. Conclusion: A combination of glutathione, glutathione peroxidase, and imaging parameters could potentially be used to phenotype COPD patients who would benefit from addition of NAC to their current therapy. The findings of this small pilot study need to be confirmed in a larger pivotal trial.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000327537300001 Publication Date 2013-11-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1178-2005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.157 Times cited 21 Open Access
  Notes ; JDB is a founder/shareholder of FluidDA NV, Kontich, Belgium. WV, SV, and CVH are employed by FluidDA NV, and WDB is the director of FluidDA NV. PMP and RC have no conflicts of interest to report. The study was supported by Zambon SpA, Bresso, Italy. ; Approved Most recent IF: 3.157; 2013 IF: NA
  Call Number UA @ lucian @ c:irua:112799 Serial 813
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Author Attri, P.; Razzokov, J.; Yusupov, M.; Koga, K.; Shiratani, M.; Bogaerts, A.
  Title Influence of osmolytes and ionic liquids on the Bacteriorhodopsin structure in the absence and presence of oxidative stress: A combined experimental and computational study Type A1 Journal article
  Year 2020 Publication (down) International Journal Of Biological Macromolecules Abbreviated Journal Int J Biol Macromol
  Volume 148 Issue Pages 657-665
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Understanding the folding and stability of membrane proteins is of great importance in protein science. Recently, osmolytes and ionic liquids (ILs) are increasingly being used as drug delivery systems in the biopharmaceutical industry. However, the stability of membrane proteins in the presence of osmolytes and ILs is not yet fully understood. Besides, the effect of oxidative stress on membrane proteins with osmolytes or ILs has not been investigated. Therefore, we studied the influence of osmolytes and ILs as co-solvents on the stability of a model membrane protein (i.e., Bacteriorhodopsin in purple membrane of Halobacterium salinarum), using UV–Vis spectroscopy and molecular dynamics (MD) simulations. The MD simulations allowed us to determine the flexibility and solvent accessible surface area (SASA) of Bacteriorhodopsin protein in the presence and/or absence of cosolvents, as well as to carry out principal component analysis (PCA) to identify the most important movements in this protein. In addition, by means of UV–Vis spectroscopy we studied the effect of oxidative stress generated by cold atmospheric plasma on the stability of Bacteriorhodopsin in the presence and/or absence of co-solvents. This study is important for a better understanding of the stability of proteins in the presence of oxidative stress.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000522094600066 Publication Date 2020-01-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0141-8130 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.2 Times cited Open Access
  Notes Horizon2020, 743546 ; JSPS, 19H05462 16H03895 ; Nagoya University; We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI 19H05462 and 16H03895, the joint usage/research program of Center for Low-temperature Plasma Science, Nagoya University and also supported by JSPS and RCL under the Japan-Lithuania Research Cooperative Program. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 8.2; 2020 IF: 3.671
  Call Number PLASMANT @ plasmant @c:irua:165585 Serial 5444
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Author Attri, P.; Park, J.-H.; De Backer, J.; Kim, M.; Yun, J.-H.; Heo, Y.; Dewilde, S.; Shiratani, M.; Choi, E.H.; Lee, W.; Bogaerts, A.
  Title Structural modification of NADPH oxidase activator (Noxa 1) by oxidative stress: An experimental and computational study Type A1 Journal article
  Year 2020 Publication (down) International Journal Of Biological Macromolecules Abbreviated Journal Int J Biol Macromol
  Volume 163 Issue Pages 2405-2414
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract NADPH oxidases 1 (NOX1) derived reactive oxygen species (ROS) play an important role in the progression of cancer through signaling pathways. Therefore, in this paper, we demonstrate the effect of cold atmospheric plasma (CAP) on the structural changes of Noxa1 SH3 protein, one of the regulatory subunits of NOX1. For this purpose, firstly we purified the Noxa1 SH3 protein and analyzed the structure using X-ray crystallography, and subsequently, we treated the protein with two types of CAP reactors such as pulsed dielectric barrier discharge (DBD) and Soft Jet for different time intervals. The structural deformation of Noxa1 SH3 protein was analyzed by various experimental methods (circular dichroism, fluorescence, and NMR spectroscopy) and by MD simulations. Additionally, we demonstrate the effect of CAP (DBD and Soft Jet) on the viability and expression of NOX1 in A375 cancer cells. Our results are useful to understand the structural modification/oxidation occur in protein due to reactive oxygen and nitrogen (RONS) species generated by CAP.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000579839600233 Publication Date 2020-09-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0141-8130 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.2 Times cited Open Access
  Notes European Marie Skłodowska-Curie Individual Fellowship, 743546 ; JSPS, 20K14454 ; National Research Foundation of Korea, 2019M3A9F6021810 NRF-2017M3A9F6029753 NRF-2019M3E5D6063903 NRF-2016R1A6A3A04010213 ; Brain Korea 21; MSIT, NRF-2016K1A4A3914113 ; Hercules Foundation; Flemish Government; UA; We gratefully acknowledge the European Marie SkłodowskaCurie Individual Fellowship “Anticancer-PAM” within Horizon 2020 (grant number 743546). This work was also supported by JSPS-KAKENHI grant number 20K14454. Additionally, work was supported by several grants (2019M3A9F6021810, NRF2017M3A9F6029753, NRF-2019M3E5D6063903 to W. Lee), Basic Science Research Program (NRF-2016R1A6A3A04010213 to J.H. Yun) through the National Research Foundation of Korea and in part by the Brain Korea 21 (BK21) PLUS program (J.H.P.). EHC is thankful to National Research Foundation (NRF) of Korea, funded by the Korea government (MSIT) under the grant number (NRF2016K1A4A3914113). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 8.2; 2020 IF: 3.671
  Call Number PLASMANT @ plasmant @c:irua:172451 Serial 6419
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Author Attri, P.; Kaushik, N.K.; Kaushik, N.; Hammerschmid, D.; Privat-Maldonado, A.; De Backer, J.; Shiratani, M.; Choi, E.H.; Bogaerts, A.
  Title Plasma treatment causes structural modifications in lysozyme, and increases cytotoxicity towards cancer cells Type A1 Journal Article
  Year 2021 Publication (down) International Journal Of Biological Macromolecules Abbreviated Journal Int J Biol Macromol
  Volume 182 Issue Pages 1724-1736
  Keywords A1 Journal Article; Lysozyme; Cold atmospheric plasma; Cancer cell death; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract Bacterial and mammalian proteins, such as lysozyme, are gaining increasing interest as anticancer drugs. This study aims to modify the lysozyme structure using cold atmospheric plasma to boost its cancer cell killing effect. We investigated the structure at acidic and neutral pH using various experimental techniques (circular dichroism, fluorescence, and mass spectrometry) and molecular dynamics simulations. The controlled structural modification of lysozyme at neutral pH enhances its activity, while the activity was lost at acidic pH at the same treatment conditions. Indeed, a larger number of amino acids were oxidized at acidic pH after plasma treatment, which results in a greater distortion of the lysozyme structure, whereas only limited structural changes were observed in lysozyme after plasma treatment at neutral pH. We found that the plasma-treated lysozyme significantly induced apoptosis to the cancer cells. Our results reveal that plasma-treated lysozyme could have potential as a new cancer cell killing drug.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000675794700005 Publication Date 2021-05-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0141-8130 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.671 Times cited Open Access OpenAccess
  Notes Japan Society for the Promotion of Science; We gratefully acknowledge the European H2020 Marie SkłodowskaCurie Actions Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI grant number 20K14454. NK thanks to National Research Foundation of Korea under Ministry of Science and ICT (NRF2021R1C1C1013875) of Korean Government. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 3.671
  Call Number PLASMANT @ plasmant @c:irua:178813 Serial 6792
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Author Tytgat, T.; Smits, M.; Lenaerts, S.; Verbruggen, S.W.
  Title Immobilization of TiO2 into self-supporting photocatalytic foam : influence of calcination temperature Type A1 Journal article
  Year 2014 Publication (down) International journal of applied ceramic technology Abbreviated Journal Int J Appl Ceram Tec
  Volume 11 Issue 4 Pages 714-722
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Immobilization of photocatalytic powder is crucial to obtain industrially relevant purification processes. To achieve this goal, self-supporting TiO2 foams were manufactured by a polyacrylamide gel process. These gels were calcined at different temperatures to study the effect of the calcination temperature on foam characteristics (rigidity, crystallinity, and porosity) and its influence on photocatalytic activity. The results show that an optimal degradation is achieved for those foams calcined between 700 and 800°C. Calcination at higher temperatures results in a steep decrease in activity, explained by stability issues of the material due to formation of Na2SO4 phases and a larger rutile fraction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000339051500012 Publication Date 2013-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1546-542x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.048 Times cited 2 Open Access
  Notes ; This work was supported by a PhD grant from the Institute of Innovation by Science and Technology in Flanders (IWT). ; Approved Most recent IF: 1.048; 2014 IF: 1.320
  Call Number UA @ admin @ c:irua:117295 Serial 5960
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Author Ding, L.; Jidkova, S.; Greuter, M.J.W.; Van Herck, K.; Goossens, M.; Martens, P.; de Bock, G.H.; Van Hal, G.
  Title Coverage determinants of breast cancer screening in Flanders : an evaluation of the past decade Type A1 Journal article
  Year 2020 Publication (down) International journal for equity in health Abbreviated Journal
  Volume 19 Issue 1 Pages 212
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Social Epidemiology & Health Policy (SEHPO)
  Abstract Background Breast cancer (BC) is the most common cancer in women in the developed world. In order to find developing cancers in an early stage, BC screening is commonly used. In Flanders, screening is performed in and outside an organized breast cancer screening program (BCSP). However, the determinants of BC screening coverage for both screening strategies are yet unknown. Objective To assess the determinants of BC screening coverage in Flanders. Methods Reimbursement data were used to attribute a screening status to each woman in the target population for the years 2008-2016. Yearly coverage data were categorized as screening inside or outside BCSP or no screening. Data were clustered by municipality level. A generalized linear equation model was used to assess the determinants of screening type. Results Over all years and municipalities, the median screening coverage rate inside and outside BCSP was 48.40% (IQR: 41.50-54.40%) and 14.10% (IQR: 9.80-19.80%) respectively. A higher coverage rate outside BSCP was statistically significantly (P < 0.001) associated with more crowded households (OR: 3.797, 95% CI: 3.199-4.508), younger age, higher population densities (OR: 2.528, 95% CI: 2.455-2.606), a lower proportion of unemployed job seekers (OR: 0.641, 95% CI: 0.624-0.658) and lower use of dental care (OR: 0.969, 95% CI: 0.967-0.972). Conclusion Coverage rate of BC screening is not optimal in Flanders. Women with low SES that are characterized by younger age, living in a high population density area, living in crowded households, or having low dental care are less likely to be screened for BC in Flanders. If screened, they are more likely to be screened outside the BCSP.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000595753100002 Publication Date 2020-11-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:174374 Serial 6721
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  Title Ab initio modeling of few-layer dilute magnetic semiconductors Type P1 Proceeding
  Year 2021 Publication (down) International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX Abbreviated Journal
  Volume Issue Pages 141-145
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We present a computational model to model the magnetic structure of two-dimensional (2D) dilute-magnetic-semiconductors (DMS) both the monolayers and multilayers using first-principles density functional theory (DFT), as well as their magnetic phase transition as a function of temperature using Monte-Carlo simulations. Using our method, we model the magnetic structure of bulk, bilayer, and monolayer MoS2 substitutionally doped with Fe atoms. We find that the out-of-plane interaction in bilayer MoS2 is weakly ferromagnetic, whereas in bulk MoS2 it is strongly anti-ferromagnetic. Finally, we show that the magnetic order is more robust in bilayer Fe-doped MoS2 compared to the monolayer and results in a room-temperature FM at an atomic substitution of 14-16%.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000766985400034 Publication Date 2021-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-6654-0685-7 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:187291 Serial 7401
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  Title Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects Type P1 Proceeding
  Year 2018 Publication (down) International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX Abbreviated Journal
  Volume Issue Pages 92-96
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000516619300024 Publication Date 2018-12-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 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:181281 Serial 7579
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Author Reyntjens, P.D.; Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  Title Ab-initio study of magnetically intercalated Tungsten diselenide Type P1 Proceeding
  Year 2020 Publication (down) International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 23-OCT 06, 2020 Abbreviated Journal
  Volume Issue Pages 97-100
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We theoretically investigate the effect of intercalation of third row transition metals (Co, Cr, Fe, Mn, Ti and V) in the layers of WSe2. Using density functional theory (DFT), we investigate the structural stability. We also compute the DFT energies of various magnetic spin configurations. Using these energies, we construct a Heisenberg Hamiltonian and perform a Monte Carlo study on each WSe2 + intercalant system to estimate the Curie or Neel temperature. We find ferromagnetic ground states for Ti and Cr intercalation, with Curie temperatures of 31K and 225K, respectively. In Fe-intercalated WSe2, we predict that antiferromagnetic ordering is present up to 564K. For V intercalation, we find that the system exhibits a double phase transition.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000636981000025 Publication Date 2020-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-763-5 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:178345 Serial 7402
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Author Pinera, I.; Cruz, C.M.; Abreu, Y.; Leyva, A.; van Espen, P.; Diaz, A.; Cabal, A.E.; Van Remortel, N.
  Title Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications Type A1 Journal article
  Year 2015 Publication (down) Interactions With Materials And Atoms Abbreviated Journal
  Volume 356 Issue Pages 46-52
  Keywords A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. Sc-44, Na-22 and V-48 are used as gamma sources for this study. The energy of gammas from the electron positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals. (C) 2015 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000356990400008 Publication Date 2015-05-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583x 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:127012 Serial 7987
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Author Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N.
  Title Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation Type A1 Journal article
  Year 2014 Publication (down) Interactions With Materials And Atoms Abbreviated Journal
  Volume 339 Issue Pages 1-7
  Keywords A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000343785500001 Publication Date 2014-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583x 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:121161 Serial 8069
Permanent link to this record
 

 
Author Van Tendeloo, G.; op de Beeck, M.; De Meulenaere, P.; van Dyck, D.
  Title Towards quantitative high resolution electron microscopy? Type A1 Journal article
  Year 1995 Publication (down) Institute of physics conference series Abbreviated Journal
  Volume 147 Issue Pages 67-72
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
  Abstract The basics of the interpretation of high resolution images showing detail of the order of 0.1 nm are shortly explained here. The use of a field emission source, a CCD camera and an adapted reconstruction method for restoring the projected crystal potential (focus variation method) allows a quantitative interpretation of HREM images. Examples of partially disordered alloys and carbonate ordering in high Tc superconductors are presented.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1995BE67F00014 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0-7503-0357-3; 0951-3248; 0305-2346 ISBN Additional Links UA library record; WoS full record;
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:13015 Serial 3688
Permanent link to this record
 

 
Author Afanasov, I.M.; Van Tendeloo, G.
  Title Zirconia-modified exfoliated graphite Type A1 Journal article
  Year 2011 Publication (down) Inorganic materials Abbreviated Journal Inorg Mater+
  Volume 47 Issue 6 Pages 603-608
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000291698100008 Publication Date 2011-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1685;1608-3172; ISBN Additional Links UA library record; WoS full record
  Impact Factor 0.62 Times cited Open Access
  Notes Approved Most recent IF: 0.62; 2011 IF: 0.414
  Call Number UA @ lucian @ c:irua:90447 Serial 3933
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