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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 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 (down) 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
Permanent link to this record
 
 
Author Briers, J.; Eevers, W.; Cos, P.; Geise, H.J.; Mertens, R.; Nagels, P.; Zhang, X.B.; Van Tendeloo, G.; Herrebout, W.; van der Veken, B.
Title Molecular orientation and conductivity in highly oriented poly(p-phenylene vinylene) Type A1 Journal article
Year 1994 Publication Polymer Abbreviated Journal Polymer
Volume 35 Issue Pages 4569-4572
Keywords A1 Journal article; Molecular Spectroscopy (MolSpec); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Guildford Editor
Language Wos A1994PM11600014 Publication Date 2003-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0032-3861; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.562 Times cited 16 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:8539 Serial 2180
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Author Leus, K.; Dendooven, J.; Tahir, N.; Ramachandran, R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Goeman, J.; Van der Eycken, J.; Detavernier, C.; Van Der Voort, P.
Title Atomic Layer Deposition of Pt Nanoparticles within the Cages of MIL-101: A Mild and Recyclable Hydrogenation Catalyst Type A1 Journal article
Year 2016 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 6 Issue 6 Pages 45
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We present the in situ synthesis of Pt nanoparticles within MIL-101-Cr (MIL = Materials Institute Lavoisier) by means of atomic layer deposition (ALD). The obtained Pt@MIL-101 materials were characterized by means of N2 adsorption and X-ray powder diffraction (XRPD) measurements, showing that the structure of the metal organic framework was well preserved during the ALD deposition. X-ray fluorescence (XRF) and transmission electron microscopy (TEM) analysis confirmed the deposition of highly dispersed Pt nanoparticles with sizes determined by the MIL-101-Cr pore sizes and with an increased Pt loading for an increasing number of ALD cycles. The Pt@MIL-101 material was examined as catalyst in the hydrogenation of different linear and cyclic olefins at room temperature, showing full conversion for each substrate. Moreover, even under solvent free conditions, full conversion of the substrate was observed. A high concentration test has been performed showing that the Pt@MIL-101 is stable for a long reaction time without loss of activity, crystallinity and with very low Pt leaching.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373533300009 Publication Date 2016-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited 19 Open Access
Notes Karen Leus acknowledges the financial support from the Ghent University “Bijzonder Onderzoeksfonds” BOF post-doctoral Grant 01P06813T and UGent “Geconcentreeerde Onderzoekacties” GOA Grant 01G00710. Jolien Dendooven and Stuart Turner gratefully acknowledges the “Fonds Wetenschappelijk Onderzoek” FWO Vlaanderen for a post-doctoral scholarship. Christophe Detavernier thanks the FWO Vlaanderen, BOF-UGent (GOA 01G01513) and the Hercules Foundation (AUGE/09/014) for financial support. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the “Belgian Interuniversitaire Attractie Pool-Pôle d'Attraction Interuniversitaire” IAP-PAI network. Approved Most recent IF: 3.553
Call Number c:irua:131902 Serial 4015
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Author Liao, T.-W.; Verbruggen, S.; Claes, N.; Yadav, A.; Grandjean, D.; Bals, S.; Lievens, P.
Title TiO2 Films Modified with Au Nanoclusters as Self-Cleaning Surfaces under Visible Light Type A1 Journal article
Year 2018 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 8 Issue 8 Pages 30
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML) equivalents. Scanning Electron Microscopy (SEM) images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML) and aggregate at higher coverage (8 ML). A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 x 10-6 over a period of 93 h). These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424131600030 Publication Date 2018-01-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited 29 Open Access OpenAccess
Notes The research leading to these results has received funding from the European Union’s Seventh Framework Programme (FP7/2007-2013) under grant agreement n 607417 (Catsense). We also thank the Research Foundation—Flanders (FWO, Belgium), the Flemish Concerted Action (BOF KU Leuven, Project No. GOA/14/007) research program, and the microscope was partly funded by the Hercules Fund from the Flemish Government for the support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 3.553
Call Number EMAT @ emat @c:irua:147898UA @ admin @ c:irua:147898 Serial 4805
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Author Cavaliere, E.; Benetti, G.; Van Bael, M.; Winckelmans, N.; Bals, S.; Gavioli, L.
Title Exploring the Optical and Morphological Properties of Ag and Ag/TiO2 Nanocomposites Grown by Supersonic Cluster Beam Deposition Type A1 Journal article
Year 2017 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 7 Issue 7 Pages 442
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanocomposite systems and nanoparticle (NP) films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a crucial factor impacting their effectiveness and performance. In this framework, we investigate the optical and morphological properties of Ag nanoparticles (NPs) films and of Ag NPs/TiO₂ porous matrix films, one-step grown by supersonic cluster beam deposition. Morphology and structure of the Ag NPs film and of the Ag/TiO₂ (Ag/Ti 50-50) nanocomposite are related to the optical properties of the film employing spectroscopic ellipsometry (SE). We employ a simple Bruggeman effective medium approximation model, corrected by finite size effects of the nano-objects in the film structure to gather information on the structure and morphology of the nanocomposites, in particular porosity and average NPs size for the Ag/TiO₂ NP film. Our results suggest that SE is a simple, quick and effective method to measure porosity of nanoscale films and systems, where standard methods for measuring pore sizes might not be applicable.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000419186800037 Publication Date 2017-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited 19 Open Access OpenAccess
Notes The authors thank Gabriele Ferrini for fruitful discussions on the spectroscopic ellipsometry model and Francesco Rossella from NEST for the optical profilometry data. The authors acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). Luca Gavioli, Emanuele Cavaliere and Giulio Benetti acknowledge support from Università Cattolica del Sacro Cuore through D.1.1 and D.3.1 grants. Approved Most recent IF: 3.553
Call Number EMAT @ emat @c:irua:147862UA @ admin @ c:irua:147862 Serial 4802
Permanent link to this record
 
 
Author Kutukov, P.; Rumyantseva, M.; Krivetskiy, V.; Filatova, D.; Batuk, M.; Hadermann, J.; Khmelevsky, N.; Aksenenko, A.; Gaskov, A.
Title Influence of Mono- and Bimetallic PtOx, PdOx, PtPdOx Clusters on CO Sensing by SnO2 Based Gas Sensors Type A1 Journal Article
Year 2018 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 8 Issue 11 Pages 917
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract To obtain a nanocrystalline SnO2 matrix and mono- and bimetallic nanocomposites SnO2/Pd, SnO2/Pt, and SnO2/PtPd, a flame spray pyrolysis with subsequent impregnation was used. The materials were characterized using X-ray diffraction (XRD), a single-point BET method, transmission electron microscopy (TEM), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with energy dispersive X-ray (EDX) mapping. The electronic state of the metals in mono- and bimetallic clusters was determined using X-ray photoelectron spectroscopy (XPS). The active surface sites were investigated using the Fourier Transform infrared spectroscopy (FTIR) and thermo-programmed reduction with hydrogen (TPR-H-2) methods. The sensor response of blank SnO2 and nanocomposites had a carbon monoxide (CO) level of 6.7 ppm and was determined in the temperature range 60-300 degrees C in dry (Relative Humidity (RH) = 0%) and humid (RH = 20%) air. The sensor properties of the mono- and bimetallic nanocomposites were analyzed on the basis of information on the electronic state, the distribution of modifiers in SnO2 matrix, and active surface centers. For SnO2/PtPd, the combined effect of the modifiers on the electrophysical properties of SnO2 explained the inversion of sensor response from n- to p-types observed in dry conditions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000451316100052 Publication Date 2018-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited 7 Open Access Not_Open_Access
Notes This research was funded by the Russian Ministry of Education and Sciences (Agreement No. 14.613.21.0075, RFMEFI61317X0075). Approved Most recent IF: 3.553
Call Number EMAT @ emat @c:irua:155767 Serial 5139
Permanent link to this record
 
 
Author Kashiwar, A.; Hahn, H.; Kubel, C.
Title In situ TEM observation of cooperative grain rotations and the Bauschinger effect in nanocrystalline palladium Type A1 Journal article
Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 11 Issue 2 Pages 432
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We report on cooperative grain rotation accompanied by a strong Bauschinger effect in nanocrystalline (nc) palladium thin film. A thin film of nc Pd was subjected to cyclic loading-unloading using in situ TEM nanomechanics, and the evolving microstructural characteristics were investigated with ADF-STEM imaging and quantitative ACOM-STEM analysis. ADF-STEM imaging revealed a partially reversible rotation of nanosized grains with a strong out-of-plane component during cyclic loading-unloading experiments. Sets of neighboring grains were shown to rotate cooperatively, one after the other, with increasing/decreasing strain. ACOM-STEM in conjunction with these experiments provided information on the crystallographic orientation of the rotating grains at different strain levels. Local Nye tensor analysis showed significantly different geometrically necessary dislocation (GND) density evolution within grains in close proximity, confirming a locally heterogeneous deformation response. The GND density analysis revealed the formation of dislocation pile-ups at grain boundaries (GBs), indicating the generation of back stresses during unloading. A statistical analysis of the orientation changes of individual grains showed the rotation of most grains without global texture development, which fits to both dislocation- and GB sliding-based mechanisms. Overall, our quantitative in situ experimental approach explores the roles of these different deformation mechanisms operating in nanocrystalline metals during cyclic loading.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000622951500001 Publication Date 2021-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.553
Call Number UA @ admin @ c:irua:176770 Serial 6729
Permanent link to this record
 
 
Author Dingenen, F.; Blommaerts, N.; Van Hal, M.; Borah, R.; Arenas-Esteban, D.; Lenaerts, S.; Bals, S.; Verbruggen, S.W.
Title Layer-by-Layer-Stabilized Plasmonic Gold-Silver Nanoparticles on TiO2: Towards Stable Solar Active Photocatalysts Type A1 Journal article
Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 11 Issue 10 Pages 2624
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract To broaden the activity window of TiO2, a broadband plasmonic photocatalyst has been designed and optimized. This plasmonic ‘rainbow’ photocatalyst consists of TiO2 modified with gold–silver composite nanoparticles of various sizes and compositions, thus inducing a broadband interaction with polychromatic solar light. However, these nanoparticles are inherently unstable, especially due to the use of silver. Hence, in this study the application of the layer-by-layer technique is introduced to create a protective polymer shell around the metal cores with a very high degree of control. Various TiO2 species (pure anatase, PC500, and P25) were loaded with different plasmonic metal loadings (0–2 wt %) in order to identify the most solar active composite materials. The prepared plasmonic photocatalysts were tested towards stearic acid degradation under simulated sunlight. From all materials tested, P25 + 2 wt % of plasmonic ‘rainbow’ nanoparticles proved to be the most promising (56% more efficient compared to pristine P25) and was also identified as the most cost-effective. Further, 2 wt % of layer-by-layer-stabilized ‘rainbow’ nanoparticles were loaded on P25. These layer-by-layer-stabilized metals showed superior stability under a heated oxidative atmosphere, as well as in a salt solution. Finally, the activity of the composite was almost completely retained after 1 month of aging, while the nonstabilized equivalent lost 34% of its initial activity. This work shows for the first time the synergetic application of a plasmonic ‘rainbow’ concept and the layer-by-layer stabilization technique, resulting in a promising solar active, and long-term stable photocatalyst.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000712759800001 Publication Date 2021-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited 7 Open Access OpenAccess
Notes Research was funded by Research Foundation—Flanders (FWO), FN 700300001— Aspirant F. Dingenen. Approved Most recent IF: 3.553
Call Number EMAT @ emat @c:irua:183281 Serial 6812
Permanent link to this record
 
 
Author Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A.
Title Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge Type A1 Journal article
Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 11 Issue 10 Pages 2503
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p>
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000713174500001 Publication Date 2021-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 3.553 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.553
Call Number UA @ admin @ c:irua:184050 Serial 6988
Permanent link to this record
 
 
Author Nematollahi, P.; Neyts, E.C.
Title Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption Type A1 Journal article
Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 11 Issue 7 Pages 1794
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000676140500001 Publication Date 2021-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.553 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.553
Call Number UA @ admin @ c:irua:180372 Serial 8174
Permanent link to this record
 
 
Author Bosch, B.; Leleu, M.; Oustrière, P.; Sarcia, C.; Sureau, J.F.; Blommaert, W.; Gijbels, R.; Sadurski, A.; Vandelannoote, R.; Van Grieken, R.; Van 'T Dack, L.;
Title Hydrogeochemistry in the zinclead mining district of Les Malines (Gard, France) Type A1 Journal article
Year 1986 Publication Chemical geology Abbreviated Journal Chem Geol
Volume 55 Issue 1/2 Pages 31-44
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Sensitive multi-element analysis techniques together with major-element and isotopic analyses were applied to spring, mine and surface waters in the vicinity of an important known zinclead deposit in a carbonate environment, in the Les Malines area (Gard, France). Both the dissolved and suspended phases were investigated, and concretions and sediments were also considered in some cases. This methodological test shows that the ore body leaves various clear fingerprints, such as the Zn, As, Sb, Pb and U levels in the dissolved phase, the sulfate increment and the δ 34S. Some of the elements in solution are controlled by slightly soluble compounds, e.g. Zn by smithsonite and hydrozincite, Ba by barite, and Pb by hydrocerussite. Mapping the saturation indices for these elements appears useful for displaying the hydrogeochemical anomaly.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1986C743300003 Publication Date 2003-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2541; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.524 Times cited 3 Open Access
Notes Approved CRYSTALLOGRAPHY 19/26 Q3 # PHYSICS, CONDENSED MATTER 53/67 Q4 #
Call Number UA @ lucian @ c:irua:111481 Serial 1537
Permanent link to this record
 
 
Author Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A.
Title The penetration of reactive oxygen and nitrogen species across the stratum corneum Type A1 Journal article
Year 2020 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536892900001 Publication Date 2020-06-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited Open Access
Notes National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using the Turing HPC infrastructure at the CalcUA Core Facility of the University of Antwerp (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: 3.5; 2020 IF: 2.846
Call Number PLASMANT @ plasmant @c:irua:169709 Serial 6372
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Author Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A.
Title KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures Type A1 Journal article
Year 2020 Publication Royal Society Open Science Abbreviated Journal Roy Soc Open Sci
Volume 7 Issue 2 Pages 191809-191832
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000518020200001 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2054-5703 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited 19 Open Access OpenAccess
Notes ; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ; Approved Most recent IF: 3.5; 2020 IF: 2.243
Call Number UA @ admin @ c:irua:167751 Serial 6556
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Author Mehta, A.N.; Gauquelin, N.; Nord, M.; Orekhov, A.; Bender, H.; Cerbu, D.; Verbeeck, J.; Vandervorst, W.
Title Unravelling stacking order in epitaxial bilayer MX₂ using 4D-STEM with unsupervised learning Type A1 Journal article
Year 2020 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 31 Issue 44 Pages 445702
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Following an extensive investigation of various monolayer transition metal dichalcogenides (MX2), research interest has expanded to include multilayer systems. In bilayer MX2, the stacking order strongly impacts the local band structure as it dictates the local confinement and symmetry. Determination of stacking order in multilayer MX(2)domains usually relies on prior knowledge of in-plane orientations of constituent layers. This is only feasible in case of growth resulting in well-defined triangular domains and not useful in-case of closed layers with hexagonal or irregularly shaped islands. Stacking order can be discerned in the reciprocal space by measuring changes in diffraction peak intensities. Advances in detector technology allow fast acquisition of high-quality four-dimensional datasets which can later be processed to extract useful information such as thickness, orientation, twist and strain. Here, we use 4D scanning transmission electron microscopy combined with multislice diffraction simulations to unravel stacking order in epitaxially grown bilayer MoS2. Machine learning based data segmentation is employed to obtain useful statistics on grain orientation of monolayer and stacking in bilayer MoS2.
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Language Wos 000561424400001 Publication Date 2020-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited 13 Open Access OpenAccess
Notes ; J.V. acknowledges funding from FLAG-ERA JTC2017 project 'Graph-Eye'. N.G. acknowledges funding from GOA project 'Solarpaint' of the University of Antwerp. This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 823717-ESTEEM3. 4D STEM data was acquired on a hybrid pixel detector funded with a Hercules fund 'Direct electron detector for soft matter TEM' from the Flemish Government. M. N. acknowledges funding from a Marie Curie Fellowship agreement No 838001. We thank Dr Jiongjiong Mo and Dr Benjamin Groven for developing the CVD-MoS<INF>2</INF> growth on sapphire and providing the material used in this article. ; Approved Most recent IF: 3.5; 2020 IF: 3.44
Call Number UA @ admin @ c:irua:171119 Serial 6649
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Author Yusupov, M.; Dewaele, D.; Attri, P.; Khalilov, U.; Sobott, F.; Bogaerts, A.
Title Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma Type A1 Journal article
Year 2022 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm.
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Publisher Place of Publication Editor
Language Wos 000865844800001 Publication Date 2022-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1200219N ; They also acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. This study was financially supported by the Research Foundation–Flanders (FWO) (grant number 1200219N). Approved Most recent IF: 3.5
Call Number PLASMANT @ plasmant @c:irua:191404 Serial 7113
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Author Lin, A.; Biscop, E.; Gorbanev, Y.; Smits, E.; Bogaerts, A.
Title Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses Type A1 Journal article
Year 2022 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume 19 Issue 3 Pages e2100151
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research.
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Language Wos 000711907800001 Publication Date 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.5
Call Number UA @ admin @ c:irua:182916 Serial 7219
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Author Miranda, L.P.; da Costa, D.R.; Peeters, F.M.; Costa Filho, R.N.
Title Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons Type A1 Journal article
Year 2023 Publication Nanotechnology Abbreviated Journal
Volume 34 Issue 5 Pages 055706-55710
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
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Language Wos 000886630000001 Publication Date 2022-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: 3.5; 2023 IF: 3.44
Call Number UA @ admin @ c:irua:192030 Serial 7350
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Author Tampieri, F.; Gorbanev, Y.; Sardella, E.
Title Plasma‐treated liquids in medicine: Let's get chemical Type A1 Journal Article
Year 2023 Publication Plasma Processes and Polymers Abbreviated Journal Plasma Processes & Polymers
Volume 20 Issue 9 Pages e2300077
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Fundamental and applied research on plasma‐treated liquids for biomedical applications was boosted in the last few years, dictated by their advantages with respect to direct treatments. However, often, the lack of consistent analysis at a molecular level of these liquids, and of the processes used to produce them, have raised doubts of their usefulness in the clinic. The aim of this article is to critically discuss some basic aspects related to the use of plasma‐treated liquids in medicine, with a focus on their chemical composition. We analyze the main liquids used in the field, how they are affected by non‐thermal plasmas, and the possibility to replicate them without plasma treatment.
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Language Wos 001005060700001 Publication Date 2023-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited Open Access Not_Open_Access
Notes We thank COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. Francesco Tampieri wishes to thank Dr. Cristina Canal for the helpful discussion during the planning stage of this paper. Approved Most recent IF: 3.5; 2023 IF: 2.846
Call Number PLASMANT @ plasmant @c:irua:197386 Serial 8814
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Author Morais, E.; Bogaerts, A.
Title Modelling the dynamics of hydrogen synthesis from methane in nanosecond‐pulsed plasmas Type A1 Journal article
Year 2024 Publication Plasma processes and polymers Abbreviated Journal Plasma Processes & Polymers
Volume 21 Issue 1 Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A chemical kinetics model was developed to characterise the gas‐phase dynamics of H<sub>2</sub>production in nanosecond‐pulsed CH<sub>4</sub>plasmas. Pulsed behaviour was observed in the calculated electric field, electron temperature and species densities at all pressures. The model agrees reasonably with experimental results, showing CH<sub>4</sub>conversion at 30% and C<sub>2</sub>H<sub>2</sub>and H<sub>2</sub>as major products. The underlying mechanisms in CH<sub>4</sub>dissociation and H<sub>2</sub>formation were analysed, highlighting the large contribution of vibrationally excited CH<sub>4</sub>and H<sub>2</sub>to coupling energy from the plasma into gas‐phase heating, and revealing that H<sub>2</sub>synthesis is not affected by applied pressure, with selectivity remaining unchanged at ~42% in the 1–5 bar range.
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Language Wos 001091258700001 Publication Date 2023-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.5 Times cited Open Access Not_Open_Access
Notes We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project “Power‐to‐Olefins” (P2O; HBC.2020.2620) and funding from the Independent Research Fund Denmark (project nr. 0217‐00231B). Approved Most recent IF: 3.5; 2024 IF: 2.846
Call Number PLASMANT @ plasmant @c:irua:201192 Serial 8983
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Author Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T.
Title Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning Type A1 Journal article
Year 2024 Publication Plasma processes and polymers Abbreviated Journal
Volume Issue Pages 1-26
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image
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Publisher Place of Publication Editor
Language Wos 001202061200001 Publication Date 2024-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 3.5 Times cited Open Access
Notes Approved Most recent IF: 3.5; 2024 IF: 2.846
Call Number UA @ admin @ c:irua:205512 Serial 9181
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Author Vanschoenwinkel, J.; Van Passel, S.
Title Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation Type A1 Journal article
Year 2018 Publication Climatic Change Abbreviated Journal Climatic Change
Volume 147 Issue 1-2 Pages 225-234
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture.
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Language Wos 000425959700017 Publication Date 2018-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0165-0009 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor (down) 3.496 Times cited 1 Open Access
Notes ; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ; Approved Most recent IF: 3.496
Call Number UA @ admin @ c:irua:149895 Serial 6166
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Author Annys, S.; Adgo, E.; Ghebreyohannes, T.; Van Passel, S.; Dessein, J.; Nyssen, J.
Title Impacts of the hydropower-controlled Tana-Beles interbasin water transfer on downstream rural livelihoods (northwest Ethiopia) Type A1 Journal article
Year 2019 Publication Journal Of Hydrology Abbreviated Journal J Hydrol
Volume 569 Issue 569 Pages 436-448
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Despite public awareness of unintended impacts (1980s) and well-developed international standards (2000s), downstream impacts of large hydropower projects still very often are not properly assessed. Impacts of (hydropower-regulated) interbasin water transfers (IBWTs) are considered self-evidently positive, although they can have far-reaching consequences for hydrogeomorphological systems and consequently river-dependent communities. In this study, the downstream direct and indirect impacts of the Ethiopian hydropower-regulated Tana-Beles IBWT are evaluated in an interdisciplinary way. The components of the framework of rural livelihoods are considered and changing contexts, resources availabilities and livelihood strategies are analysed. Mixed methods are applied, combining hydrogeomorphological field observations, GIS analyses, scientific literature, policy documents, and semi-structured interviews with local people and local to federal authorities. Results show that the IBWT drastically increased the Beles rivers discharge (with an average release of +92 m3 s−1 at the outlet; *2 in rainy season and *12 in dry season 100 km downstream of the water release) and introduced dangerous situations for local communities (over 250 people drowned in the river). River bank erosion resulted in the uncompensated loss of farmland (163 ha) and the establishment of large-scale commercial farms increased the pressure on land and led to the impoverishment of displaced communities (4310 households). The project was implemented top-down, without any transparency, benefit sharing or compensation for external costs. This stresses the importance of downstream interdisciplinary impact assessments and highlights the need for decent in-depth ex post-analyses of hydropower projects. Environmental impact assessments should be taken seriously and cannot be considered a formality. In Ethiopia and in many developing countries, the hydropower industry is booming. Although dams and IBWTs can be the best solution for water-related problems in specific contexts, national development goals (such as the expansion of the electricity network) should not be at the expense of rural livelihoods.
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Language Wos 000457952900032 Publication Date 2018-12-15
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Series Volume Series Issue Edition
ISSN 0022-1694 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.483 Times cited 2 Open Access
Notes ; This study was funded by the Flemish Research Foundation (FWO, Belgium), through project No. G022217N and a specific travel grant for a long stay abroad (No. V445417N). We acknowledge the cooperation with the Bahir Dar University VLIR-UOS IUC programme. All support given by Bahir Dar University has been greatly appreciated and many thanks go to Yonnas Shawul and Deribew Fenetie, for assisting and translating in the field. Staff of various ranks in administrative offices are thanked for their cooperation and mostly openness during interviews. Special thanks go to the local farmers and other rural dwellers, for their cooperation and contribution to this research. We thank the two anonymous reviewers for their constructive comments. ; Approved Most recent IF: 3.483
Call Number UA @ admin @ c:irua:156935 Serial 6215
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Author Barreca, D.; Gasparotto, A.; Lebedev, O.I.; Maccato, C.; Pozza, A.; Tondello, E.; Turner, S.; Van Tendeloo, G.
Title Controlled vapor-phase synthesis of cobalt oxide nanomaterials with tuned composition and spatial organization Type A1 Journal article
Year 2010 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 12 Issue 7 Pages 2185-2197
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
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Language Wos 000279627700040 Publication Date 2010-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.474 Times cited 85 Open Access
Notes Approved Most recent IF: 3.474; 2010 IF: 4.006
Call Number UA @ lucian @ c:irua:83686 Serial 503
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm Type A1 Journal article
Year 2009 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 11 Issue 8 Pages 1597-1608
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
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Language Wos 000268184300021 Publication Date 2009-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.474 Times cited 15 Open Access
Notes Approved Most recent IF: 3.474; 2009 IF: 4.183
Call Number UA @ lucian @ c:irua:77374 Serial 2106
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Author Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.;
Title Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties Type A1 Journal article
Year 2015 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 17 Issue 17 Pages 6219-6226
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment.
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Language Wos 000358915300018 Publication Date 2015-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.474 Times cited 25 Open Access
Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 3.474; 2015 IF: 4.034
Call Number c:irua:127237 Serial 3531
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Author Mourdikoudis, S.; Altantzis, T.; Liz-Marzan, L.M.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.
Title Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance Type A1 Journal article
Year 2016 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 18 Issue 18 Pages 3422-3427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Water-soluble Pt nanoflowers (NFs) were prepared by a diethylene glycol-mediated reduction of Pt acetylacetonate

(Pt(acac)2) in the presence of polyethyleneimine. Advanced electron microscopy analysis showed that NFs consist of

multiple branches with truncated cubic morphology and different crystallographic orientations. We demonstrate that the

nature of the solvent strongly influences the resulting morphology. The catalytic performance of Pt NFs in 4–nitrophenol

reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, Pt NFs display good

catalytic reusability with no loss of activity after five consecutive cycles.
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Language Wos 000375697800012 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.474 Times cited 30 Open Access OpenAccess
Notes The authors would like to thank J. Millos for the XRD experiments and R. Lomba for ICP-OES elemental analysis measurements at the CACTI institute in Vigo. S. Rodal-Cedeira is acknowledged for the FTIR measurement. This research project was implemented within the framework of the Action «Supporting Postdoctoral Researchers» of the Operational Program “Education and Lifelong Learning” (Action’s Beneficiary: General Secretariat for Research and Technology of Greece) and is co-financed by the European Social Fund (ESF) and the Greek State [project code PE4(1546)]. This work has been also supported by the Spanish MINECO (grant MAT2013-45168-R) and by the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED/FEDER “Unha maneira de facer Europa”). S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.474
Call Number c:irua:133670 Serial 4067
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Author Morozov, V.A.; Posokhova, S.M.; Deyneko, D., V; Savina, A.A.; Morozov, A., V; Tyablikov, O.A.; Redkin, B.S.; Spassky, D.A.; Hadermann, J.; Lazoryak, B., I
Title Influence of annealing conditions on the structure and luminescence properties of KGd1-xEux(MoO4)2(0\leq x\leq1) Type A1 Journal article
Year 2019 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 21 Issue 42 Pages 6460-6471
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study describes the influence of annealing temperature on the structure and luminescence properties of KGd1-xEux(MoO4)(2) (0 <= x <= 1). Compounds with the general formula (A ', A '')(n)[(W, Mo)O-4](m) are investigated as luminescent materials for photonic applications such as phosphor-converted LEDs (light-emitting diodes). Herein, the KGd0.8Eu0.2(MoO4)(2) light-rose crystal was grown by the Czochralski technique. Moreover, three polymorphs of KGd1-xEux(MoO4)(2) were present in the 923-1223 K range of annealing temperatures under ambient pressure: a triclinic alpha-phase, a disproportionately modulated monoclinic beta-phase and an orthorhombic gamma-phase with a KY(MoO4)(2)-type structure. The different behaviors of KGd(MoO4)(2) and KEu(MoO4)(2) were revealed by DSC studies. The number and the character of phase transitions for KGd1-xEux(MoO4)(2) depended on the elemental composition. The formation of a continuous range of solid solutions with the triclinic alpha-KEu(MoO4)(2)-type structure and ordering of K+ and Eu3+/Gd3+ cations were observed only for alpha-KGd1-xEux(MoO4)(2) (0 <= x <= 1) prepared at 923 K. The structures of gamma-KGd1-xEux(MoO4)(2) (x = 0 and 0.2) were studied using electron diffraction and refined using the powder X-ray diffraction data. The luminescence properties of KGd1-xEux(MoO4)(2) prepared at different annealing temperatures were studied and related to their different structures. The maxima of the D-5(0) -> F-7(2) integral emission intensities were found under excitation at lambda(ex) = 300 nm and lambda(ex) = 395 nm for triclinic scheelite-type alpha-KGd0.6Eu0.4(MoO4)(2) and monoclinic scheelite-type beta-KGd0.4Eu0.6(MoO4)(2) prepared at 1173 K, respectively. The latter shows the brightest red light emission among the KGd1-xEux(MoO4)(2) phosphors. The maximum and integral emission intensity of beta-KGd0.4Eu0.6(MoO4)(2) in the D-5(0) -> F-7(2) transition region is similar to 20% higher than that of the commercially used red phosphor Gd2O2S:Eu3+. Thus, beta-KGd0.4Eu0.6(MoO4)(2) is very attractive for application as a near-UV convertible red-emitting phosphor for LEDs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000493072200015 Publication Date 2019-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.474 Times cited Open Access
Notes Approved Most recent IF: 3.474
Call Number UA @ admin @ c:irua:164603 Serial 6304
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Author Vermeulen, M.; Saverwyns, S.; Coudray, A.; Janssens, K.; Sanyova, J.
Title Identification by Raman spectroscopy of pararealgar as a starting material in the synthesis of amorphous arsenic sulfide pigments Type A1 Journal article
Year 2018 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 149 Issue 149 Pages 290-297
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this study, a combination of elemental analytical techniques (MA-XRF and SEM-EDX) were used to localize arsenic sulfide pigments within a 17th-century Dutch painting and in the stratigraphy of an 18th-century Flemish polychrome sculpture. Once located, Raman spectroscopy was used to obtain the vibrational signature of the arsenic sulfide pigments employed. By means of the latter analytical technique and due to the very distinctive Raman scattering signal of the various arsenic sulfide compounds, it was possible to identify the arsenic-based pigments as natural orpiment and amorphous arsenic sulfide. In the latter case, based on the minor bands observed and the good condition of the paint layers, it was possible to identify pararealgar, the orangey-yellow to yellow degradation product of realgar, as the initial arsenic sulfide material used for the synthesis of the amorphous pigment. To the best of our knowledge, this is the first time that combined pararealgar/amorphous arsenic sulfide Raman spectra are reported in historical samples. Therefore, this would be the first identification of pararealgar as the starting material to produce amorphous, arsenic sulfide pigments used in artworks.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000423246900033 Publication Date 2017-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.473 Times cited 7 Open Access
Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development SDD: “Long-term role and fate of metal -sulfides in painted works of art S2ART” (SD/RI/04A). The authors would like to acknowledge the owner of the Abraham Mignon painting, Cecile Glaude for her help with SEM-EDX analyses as well as Livia Depuyt, Carlota Barbosa and Athanasia Fragkou for their assistance. The authors also acknowledge Dr. Karel Palka and Prof. Miroslav Week for their help with the synthesis of the amorphous arsenic sulfide references. ; Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:149307 Serial 5648
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Author Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K.
Title Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions Type A1 Journal article
Year 2017 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 145 Issue Pages 376-384
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405972900046 Publication Date 2017-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.473 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:144385 Serial 5770
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Author Anaf, W.; Schalm, O.; Janssens, K.; De Wael, K.
Title Understanding the (in)stability of semiconductor pigments by a thermodynamic approach Type A1 Journal article
Year 2015 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume 113 Issue Pages 409-415
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Several artists pigments are semiconductors. Some of these materials appear stable over time, whereas others already show remarkable signs of degradation after limited time periods. The (in)stability of these pigments can be understood using a thermodynamic approach. For several pigment-related materials, the thermodynamic oxidation and reduction potential (ϕox and ϕred) were determined and evaluated considering the absolute energy positions of the valence and conduction band edges and the water redox potentials. The positions of ϕox and ϕred can be used in a fast screening of the stability of semiconductor pigments towards photoinduced corrosion in an aqueous/humid environment. This theoretical approach corresponds well with experimental data on pigment permanence and degradation phenomena found in literature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000346543200052 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 3.473 Times cited 14 Open Access
Notes ; The authors acknowledge the funding from the Belspo S2-ART project (Belgian Federal Government) SD/RI/04A. ; Approved Most recent IF: 3.473; 2015 IF: 3.966
Call Number UA @ admin @ c:irua:118875 Serial 5885
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