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Author Fatermans, J.
Title Quantitative atom detection from atomic-resolution transmission electron microscopy images Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 155 p.
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:162101 Serial 5394
Permanent link to this record
 

 
Author Van der Donck, M.
Title Excitonic complexes in transition metal dichalcogenides and related materials Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 224 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:162525 Serial 5412
Permanent link to this record
 

 
Author Vieira De Castro, L.
Title Properties of quasi particles on two dimensional materials and related structures Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 79 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161999 Serial 5424
Permanent link to this record
 

 
Author Hofman, J.; Castanheiro, A.; Nuyts, G.; Joosen, S.; Spassov, S.; Blust, R.; De Wael, K.; Lenaerts, S.; Samson, R.
Title Impact of urban street canyon architecture on local atmospheric pollutant levels and magneto-chemical PM10 composition : an experimental study in Antwerp, Belgium Type A1 Journal article
Year 2019 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 712 Issue 712 Pages 135534
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
Abstract As real-life experimental data on natural ventilation of atmospheric pollution levels in urban street canyons is still scarce and has proven to be complex, this study, experimentally evaluated the impact of an urban street canyon opening on local atmospheric pollution levels, during a 2-week field campaign in a typical urban street canyon in Antwerp, Belgium. Besides following up on atmospheric particulate matter (PM), ultrafine particles (UFPs) and black carbon (BC) levels, the magneto-chemical PM10 composition was quantified to identify contributions of specific elements in enclosed versus open street canyon sections. Results indicated no higher overall PM, UFP and BC concentrations at the enclosed site compared to the open site, but significant day-to-day variability between both monitoring locations, depending on the experienced wind conditions. On days with oblique wind regimes (4 out of 14), natural ventilation was observed at the open location while higher element contributions of Ca, Fe, Co, Ni, Cu, Zn and Sr were exhibited at the enclosed location. Magnetic properties correlated with the PM10 filter loading, and elemental content of Fe, Cr, Mn and Ti. Magnetic bivariate ratios identified finel-grained magnetite carriers with grain sizes below 0.1 μm, indicating similar magnetic source contributions at both monitoring locations. Our holistic approach, combining atmospheric monitoring with magneto-chemical PM characterization has shown the complex impact of real-life wind flow regimes, different source contributions and local traffic dynamics on the resulting pollutant concentrations and contribute to a better understanding on the urban ventilation processes of atmospheric pollution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000512369600078 Publication Date 2019-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited (down) Open Access
Notes Approved Most recent IF: 4.9
Call Number UA @ admin @ c:irua:165459 Serial 5654
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Author Borah, R.; Verbruggen, S.W.
Title Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 50 Pages 30594-30603
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000503919500061 Publication Date 2019-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited (down) Open Access
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:164530 Serial 5938
Permanent link to this record
 

 
Author Saviuc, I.; Peremans, H.; Van Passel, S.; Milis, K.
Title Economic performance of using batteries in European residential microgrids under the net-metering scheme Type A1 Journal article
Year 2019 Publication Energies Abbreviated Journal Energies
Volume 12 Issue 1 Pages 165-28
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Decentralized energy production offers an increased share of renewable energy and autonomy compared to the conventional, grid-only solution. However, under the net-metering scheme, the energy losses in batteries translate into financial losses to an investor seeking to move away from grid-only electricity and set up a residential PV+Battery microgrid. Our paper examines a hypothetical support scheme for such a project, designed to balance the economic disadvantage through partially supporting the acquisition of batteries, and thus ensure that the microgrid solution is more attractive than no investment. For this we develop four case studies based on experiments carried out in Greece, Italy, Denmark and Finland. Using the minimization of the Net Present Cost for each project, we compare the PV+Battery solution to the grid-only scenario over 25 years, for a range of electricity prices. The results illustrate first how the success of this project depends on the price of electricity. Second, we find that under current conditions in the respective countries the need for battery support varies between zero in Denmark and 86% in Italy, which reflects how the disadvantages of net metering can only be counterbalanced by either very high electricity price or very high solar resource. Our paper contributes thus to the discussion about the favourable environment for batteries in residential microgrids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2019-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1996-1073 ISBN Additional Links UA library record
Impact Factor 2.262 Times cited (down) Open Access
Notes Approved Most recent IF: 2.262
Call Number UA @ admin @ c:irua:156009 Serial 6189
Permanent link to this record
 

 
Author Janssens de Bisthoven, L.; Rochette, A.-J.; Verheyen, E.; Akpona, T.J.-D.; Verbist, B.; Vanderhaegen, K.; Naturinda, Z.; Van Passel, S.; Berihun, D.; Munishi, L.; Hugé, J.
Title Conserving African biosphere reserves : a workshop on the valuation of ecosystem services in Man and the Biosphere Reserves Type A1 Journal article
Year 2019 Publication Oryx Abbreviated Journal Oryx
Volume 53 Issue 4 Pages 609
Keywords A1 Journal article; Engineering Management (ENM); Evolutionary ecology group (EVECO)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2019-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0030-6053; 1365-3008 ISBN Additional Links UA library record
Impact Factor 2.191 Times cited (down) Open Access
Notes Approved Most recent IF: 2.191
Call Number UA @ admin @ c:irua:163043 Serial 6172
Permanent link to this record
 

 
Author Yao, X.
Title An advanced TEM study on quantification of Ni4Ti3 precipitates in low temperature aged Ni-Ti shape memory alloy Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 149 p.
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:164987 Serial 6284
Permanent link to this record
 

 
Author Trenchev, G.
Title Computational modelling of atmospheric DC discharges for CO2 conversion Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 206 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:163986 Serial 6290
Permanent link to this record
 

 
Author Van der Paal, J.
Title Generation, transport and molecular interactions of reactive species in plasma medicine Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 237 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:162591 Serial 6297
Permanent link to this record
 

 
Author Lumbeeck, G.
Title Mechanisms of nano-plasticity in as-deposited and hydrided nanocrystalline Pd and Ni thin films Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 130 p.
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:164918 Serial 6309
Permanent link to this record
 

 
Author Anđelković, M.
Title O(N) numerical methods for investigating graphene heterostructures and moiré patterns Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 207 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:165205 Serial 6315
Permanent link to this record
 

 
Author Chuon, S.
Title Simulation numérique multi-échelles du procédé de dépôt par pulvérisation cathodique magnétron Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 137 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:166091 Serial 6322
Permanent link to this record
 

 
Author Guzzinati, G.; Ghielens, W.; Mahr, C.; Béché, A.; Rosenauer, A.; Calders, T.; Verbeeck, J.
Title Electron Bessel beam diffraction patterns, line scan of Si/SiGe multilayer Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; ADReM Data Lab (ADReM); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169114 Serial 6865
Permanent link to this record
 

 
Author Marteleur, M.; Idrissi, H.; Amin-Ahmadi, B.; Prima, F.; Schryvers, D.; Jacques, P.J.
Title On the nucleation mechanism of {112} < 111 > mechanical twins in as-quenched beta metastable Ti-12 wt.% Mo alloy Type A1 Journal article
Year 2019 Publication Materialia Abbreviated Journal
Volume 7 Issue Pages Unsp 100418
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Recently developed beta-metastable Ti grades take advantage of the simultaneous activation of TRIP and TWIP effects for enhancing their work hardening rate. However, the role of each plasticity mechanism on the macroscopic mechanical response is still unclear. In this work, the nucleation mechanism of the first activated plasticity mechanism, namely {112} < 111 > twinning, was investigated. Firstly, post-mortem TEM analysis showed that twins nucleate on pre-existing microstructural defects such as thermal jogs with the zonal dislocation mechanism. The precipitation of the omega phase on twin boundaries has been observed, as well as the emission of numerous dislocations from super-jogs present in these twin boundaries. It is also shown that {112} < 111 > twins act as effective dislocation sources for the subsequent plasticity mechanisms such as beta -> alpha '' martensitic transformation and {332} < 111 > twinning. Secondly, in situ TEM tensile testing of the investigated Ti grade highlighted the primary role of the initial defect configuration present in the microstructure. It is shown that twins cannot nucleate without the presence of specific defects allowing the triggering of the dislocation decomposition needed for the twinning mechanism highlighted in investigated bulk samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000537131000052 Publication Date 2019-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2589-1529 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:170326 Serial 6875
Permanent link to this record
 

 
Author Guzzinati, G.; Béché, A.; McGrouther, D.; Verbeeck, J.
Title Rotation of electron beams in the presence of localised, longitudinal magnetic fields Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract Electron Bessel beams have been generated by inserting an annular aperture in the illumination system of a TEM. These beams have passed through a localised magnetic field. As a result a low amount of image rotation (which is expected to be proportional to the longitudinal component of the magnetic field) is observed in the far field. A measure of this rotation should give access to the magneti field. The two datasets have been acquired in a FEI Titan3 microscope, operated at 300kV. The file focalseries.tif contains a series of images acquired varying the magnetic field through the objective lens. The file lineprofile.ser contains a series of images acquired by scanning the beam over a sample with several magnetised nanopillars. For reference, check the associated publication.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169135 Serial 6883
Permanent link to this record
 

 
Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J.
Title Spectrocopic coincidence experiment in transmission electron microscopy Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract This dataset contains individual EEL and EDX events where for every event (electron or X-ray), their energy and time of arrival is stored. The experiment was performed in a transmission electron microscope (Tecnai Osiris) at 200 keV. The material investigated is an Al-Mg-Si-Cu alloy. The 'full_dataset.mat' contains the full dataset and the 'subset.mat' has the first five frames of the full dataset. The attached 'EELS-EDX.ipynb' is a jupyter notebook file. This file describes the data processing in order to observe the temporal correlation between the electrons and X-rays.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169112 Serial 6888
Permanent link to this record
 

 
Author Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P.
Title Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169107 Serial 6891
Permanent link to this record
 

 
Author Shi, X.; Ronsse, F.; Roegiers, J.; Pieters, J.G.
Title 3D Eulerian-Eulerian modeling of a screw reactor for biomass thermochemical conversion. Part 1: solids flow dynamics and back-mixing Type A1 Journal article
Year 2019 Publication Renewable energy Abbreviated Journal
Volume 143 Issue Pages 1465-1476
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Three-dimensional (3D) computational fluid dynamics (CFD) simulations were performed to study solids flow dynamics and solids back-mixing behavior in a screw reactor (designed for thermal conversion of dry biomass particles) based on the Eulerian-Eulerian method. Simulation results were compared against experimental data with respect to filling degree and mean residence time of particles. The mean deviations for filling degree and for mean residence time between simulation and experiment were about 0.01 and 11.4 s, respectively, which shows that the model is reasonably accurate in predicting solids flow behavior in the screw reactor. The solids flow dynamics inside the reactor were discussed. The solids residence time distribution (RTD) was calculated and the degree of solids back-mixing in the forward transportation direction of the reactor was analyzed. It was found that solids being flung over the shaft and solids back-leakage, resulting from the low solids forward transportation velocity at the clearance between the flight and the bottom shell of the screw reactor, were responsible for solids back-mixing. The degree of solids back-mixing can be reduced at higher screw rotating speeds when keeping inlet mass flow rate of solids constant. (C) 2019 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000482686100039 Publication Date 2019-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:162757 Serial 7384
Permanent link to this record
 

 
Author Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D.
Title Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules Type A1 Journal article
Year 2019 Publication ACS applied energy materials Abbreviated Journal
Volume 2 Issue 2 Pages 1251-1258
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459948900037 Publication Date 2019-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:193759 Serial 7414
Permanent link to this record
 

 
Author Koch, K.; Samson, R.; Denys, S.
Title Aerodynamic characterisation of green wall vegetation based on plant morphology : an experimental and computational fluid dynamics approach Type A1 Journal article
Year 2019 Publication Biosystems engineering Abbreviated Journal
Volume 178 Issue Pages 34-51
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The installation of urban green infrastructure, particularly green walls, has proven to be an effective strategy for the mitigation of particulate matter (PM) pollution and the urban heat island effect. For the interaction between vegetation, PM and the local microclimate, wind flow is the main driving force. In order to investigate these interactions in detail, it is important to know how air flows through vegetation. This study proposes a method based on the DarcyForchheimer equation, where vegetation is considered as a porous medium and several plant species and the effects of plant morphological characteristics are examined both experimentally and using computer simulations. Results showed that the DarcyForchheimer model is a simple and robust way to describe air flow through vegetation regardless of its morphology. This research provides a new vision on studying aerodynamic properties of vegetation in relation to their morphology and provides opportunities for model the interaction between vegetation and its environment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000456902300003 Publication Date 2018-11-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1537-5110 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:155994 Serial 7421
Permanent link to this record
 

 
Author Gonzalez-Quiroga, A.; Kulkarni, S.R.; Vandewalle, L.; Perreault, P.; Goel, C.; Heynderickx, G.J.; van Geem, K.M.; Marin, G.B.
Title Azimuthal and radial flow patterns of 1g-Geldart B-type particles in a gas-solid vortex reactor Type A1 Journal article
Year 2019 Publication Powder technology Abbreviated Journal
Volume 354 Issue Pages 410-422
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Processes requiring intensive interfacial momentum, mass and heat exchange between gases and particulate solids can be greatly enhanced by operating in a centrifugal field. This is realized in the Gas-Solid Vortex Reactor (GSVR) with centrifugal accelerations up to two orders of magnitude higher than the Earth's gravitational acceleration. Here, the flow patterns of two 1g-Geldart B-type particles are experimentally assessed, over the gas inlet velocity range 82–126 m s−1, in an 80 mm diameter and 15 mm height GSVR. The particles are monosized aluminum spheres of 0.5 mm diameter, and walnut shell in the sieve fraction 0.50–0.56 mm and aspect ratio 1.3 ± 0.2. Two dimensional Particle Image Velocimetry combined with Digital Image Analysis and pressure measurements revealed that periodic fluctuations in solids azimuthal and radial velocity between gas inlet slots are strongly related to the average solids azimuthal velocity and bed uniformity. Aluminum particles feature steeper changes in azimuthal velocity and more attenuated changes in radial velocity than walnut shell particles. Within the assessed gas inlet velocity range the solids bed of aluminum exhibits average azimuthal velocities and bed voidages 40–50% and ≈10% lower than those of walnut shell. The aerodynamic response time of the particles, i.e. ρsdp2/18μg, emerged as an important parameter to assess the influence of the carrier gas jet on the radial deflection of the particles and the interaction solids bed-outer wall. Too low aerodynamic response time relates to nonuniformity in bed voidage due to solids radial velocity fluctuations. Excessive aerodynamic response time indicates low solids azimuthal velocities due to solids bed-outer wall friction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000490625500041 Publication Date 2019-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0032-5910 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:162120 Serial 7543
Permanent link to this record
 

 
Author Ozbal, G.; Senger, R.T.; Sevik, C.; Sevincli, H.
Title Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal
Volume 100 Issue 8 Pages 085415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Combining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480389100007 Publication Date 2019-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:193773 Serial 7549
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Author van Loon, A.; Vandivere, A.; Delaney, J.K.; Dooley, K.A.; De Meyer, S.; Vanmeert, F.; Gonzalez, V.; Janssens, K.; Leonhardt, E.; Haswell, R.; de Groot, S.; D'Imporzano, P.; Davies, G.R.
Title Beauty is skin deep : the skin tones of Vermeer's Girl with a Pearl Earring Type A1 Journal article
Year 2019 Publication Heritage science Abbreviated Journal
Volume 7 Issue 1 Pages 102
Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The soft modelling of the skin tones in Vermeer's Girl with a Pearl Earring (Mauritshuis) has been remarked upon by art historians, and is their main argument to date this painting to c. 1665. This paper describes the materials and techniques Vermeer used to accomplish the smooth flesh tones and facial features of the Girl, which were investigated as part of the 2018 Girl in the Spotlight research project. It combines macroscopic X-ray fluorescence imaging (MA-XRF), reflectance imaging spectroscopy (RIS), and 3D digital microscopy. Vermeer built up the face, beginning with distinct areas of light and dark. He then smoothly blended the final layers to create almost seamless transitions. The combination of advanced imaging techniques highlighted that Vermeer built the soft contour around her face by leaving a 'gap' between the background and the skin. It also revealed details that were otherwise not visible with the naked eye, such as the eyelashes. Macroscopic imaging was complemented by the study of paint cross-sections using: light microscopy, SEM-EDX, FIB-STEM, synchrotron radiation mu-XRPD and FTIR-ATR. Vermeer intentionally used different qualities or grades of lead white in the flesh paints, showing different hydrocerussite/cerussite ratios and particle sizes. Lead isotope analysis showed that the geographic source of lead, from which the different types of lead white were manufactured, was the same: the region of Peak District of Derbyshire, UK. Finally, cross-section analysis identified the formation of new lead species in the paints: lead soaps and palmierite (K2Pb(SO4)(2)), associated with the red lake.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000516736100001 Publication Date 2019-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:167549 Serial 7552
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Author Blondiaux, E.; Bomon, J.; Smolen, M.; Kaval, N.; Lemière, F.; Sergeyev, S.; Diels, L.; Sels, B.; Maes, B.U.W.
Title Bio-based aromatic amines from lignin-derived monomers Type A1 Journal article
Year 2019 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
Volume 7 Issue 7 Pages 6906-6916
Keywords A1 Journal article; Engineering sciences. Technology; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL)
Abstract A new approach to synthesize valuable 3,4-dialkoxyanilines and alkyl propionates from lignin-derived 4-propylguaiacol and -catechol with overall isolated yields up to 65% has been described. The strategy is based on the introduction of nitrogen via a Beckmann rearrangement. Amino introduction therefore coincides with a C-defunctionalization reaction; overall a replacement of the propyl chain by an amino group is obtained. The process only requires cheap bulk chemicals as reagents/reactants and does not involve column chromatography to purify the reaction products. Furthermore, all carbon atoms from the biorenewable lignin-derived monomers are transformed into valuable compounds. Greenness was assessed by performing a Green Metrics analysis on two dialkoxyanilines. A comparison was made with literature routes for these compounds starting from a petrochemical substrate.
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Publisher Place of Publication Editor
Language Wos 000463462100050 Publication Date 2019-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:159378 Serial 7556
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Author Bottari, F.
Title Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 205 p.
Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In the broad context of food and environmental safety, the development of selective and sensitive analytical tools for the detection of β-lactam antibiotics in milk down to their Maximum Residues Limits (MRL), is still an open challenge. To address this need, the design of new bio(mimetic) electrochemical sensors was investigated in the present thesis. These sensors are based on the intrinsic electrochemistry of β-lactam antibiotics, taking advantages of the characteristic electrochemical fingerprints of the core structures and redox active side chain groups. The electrochemistry of nafcillin (NAF) and the isoxazolyl penicillins (ISOXA) was investigated, identifying the peculiar electrochemical fingerprint of each antibiotic, proving that it is possible to use electrochemistry for the selective detection of these antimicrobial drugs. Once verified the applicability of a direct detection, different sensor configurations were tested mainly focusing on: – the selection and validation of aptamers to be used as bioreceptors in the development of β-lactam biosensors; – the design of biomimetic receptors, particularly molecularly imprinted polymers, and other synthetic electrode modifiers compatible with a direct detection strategy. The selection of novel aptamers was performed following both a traditional FluMag SELEX protocol and a novel variant based on graphene oxide (GO). First results with the modified GO-SELEX are promising but more work still needs to be done to validate this novel approach. The few aptamers for β-lactam antibiotics, already reported in literature by other groups, were poorly characterized up to now. For this reason, a multi-analytical characterization protocol for aptamer binding studies was optimized and validated by focusing on aptamer AMP17 against ampicillin. The protocol combines ITC, nESI-MS and 1H-NMR. Very striking was the fact that the aptamer sequence did not show any sign of specific binding for its target, even if it was used in many other studies in the past. This thesis now offers a validated protocol for testing the affinity and binding capabilities of aptamer sequences. In parallel, the functionalization of the electrode surface with polymer modifiers was studied. In particular we optimized a MIP electrochemical sensor based on 4-aminobenzoic acid for the direct electrochemical detection of CFQ. Another approach was tested based on the intrinsic affinity of NAF for an oPD electropolymerized film on the electrode surface. Both sensors were found to be sensitive and selective for the detection of CFQ and NAF at MRLs in buffer solutions. The proposed protocols are robust and promising for technological transfer. Lastly, the research activity was directed towards milk sample analysis following two parallel routes: the development of a pre-treatment protocol for raw milk, based on solvent addition (ACN or ISO), and the study of β-lactam antibiotics electrochemistry in undiluted raw milk with addition of KNO3 as supporting electrolyte. Both approaches gave encouraging results and the detection of NAF, CFQ and CFU in the micromolar range was achieved, with the second approach in undiluted raw milk.
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Language Wos Publication Date
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Call Number UA @ admin @ c:irua:164996 Serial 7557
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Author Tang, T.; Strokal, M.; van Vliet, M.T.H.; Seuntjens, P.; Burek, P.; Kroeze, C.; Langan, S.; Wada, Y.
Title Bridging global, basin and local-scale water quality modeling towards enhancing water quality management worldwide Type A1 Journal article
Year 2019 Publication Current Opinion in Environmental Sustainability Abbreviated Journal
Volume 36 Issue Pages 39-48
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Global water quality (WQ) modeling is an emerging field. In this article, we identify the missing linkages between global and basin/local-scale WQ models, and discuss the possibilities to fill these gaps. We argue that WQ models need stronger linkages across spatial scales. This would help to identify effective scale-specific WQ management options and contribute to future development of global WQ models. Two directions are proposed to improve the linkages: nested multiscale WQ modeling towards enhanced water management, and development of next-generation global WQ models based-on basin/local-scale mechanistic understanding. We highlight the need for better collaboration among WQ modelers and policy-makers in order to deliver responsive water policies and management strategies across scales.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000460234600006 Publication Date 2018-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1877-3435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:158643 Serial 7568
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Author Sóti, V.
Title Catalytic detoxification of lignocellulose hydrolyzate Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages XXVII, 243 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract The present PhD research investigated the possibility of catalytic detoxification of poplar wood based and steam exploded lignocellulosic hydrolyzate with different types of laccase enzymes, with special focus on ethanol and lactic acid products at industrially relevant parameters: high final product concentration, high initial substrate loading and integrated processes. The simultaneous saccharification and fermentation (SSF) process was taken as a base case and five types of laccases were thoroughly investigated on their utilization potential. Phenolic removal from the liquid xylose rich fraction (XRF) was higher with fungal laccases (65-90 %) compared to approximately 30 % removal with bacterial laccase. Moreover, the optimal pH of fungal laccases was close to pH 4.5, the optimum for cellulase, while the bacterial laccase worked at basic pH. Integrating laccase treatment and hydrolysis together showed that fungal laccases have negative impact on final sugar concentration, while bacterial laccase had a strong positive effect. Although bacterial laccase removed less phenol and although its optimal conditions are difficult to integrate with hydrolysis, its enhancing effect on cellulase activity makes it a better candidate for application. The presence of the solid fraction (SF) alters the phenolic concentration evolution significantly, thus screening experiments with the liquid fraction alone do not provide sufficient information for the combined process. Magnetic Cross-Linked Enzyme Aggregates (m-CLEAs) immobilization was assessed for bacterial laccase. m-CLEAs decreased phenolic concentration faster at every pH compared to free bacterial laccase; however, the removal was caused by adsorption rather than by enzyme activity. Although the size of m-CLEAs particles are in the µm range, around 90 % of the initial catalyst mass was recycled from a dense (15 % substrate loading) mixture via magnetic separation. The high recycling rate is promising; m-CLEAs immobilization method can have industrial utilization potential. Minimum sugar revenue (MSR) estimations show that currently hardwood based MSR is 70 % more expensive than corn grain based MSR. About 7-10 fold cellulase activity increase will be needed until MSR will be competitive with corn grain MSR. However, m-CLEAs cellulase can already be competitive if the corn prices are in the higher regime of last year’s prices.
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Call Number UA @ admin @ c:irua:180125 Serial 7584
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Author Roegiers, J.; Denys, S.
Title CFD-modelling of activated carbon fibers for indoor air purification Type A1 Journal article
Year 2019 Publication Chemical engineering journal Abbreviated Journal
Volume 365 Issue Pages 80-87
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Activated carbon fibers for indoor air purification were investigated by means of pressure drop and adsorption capacity. The Darcy-Forchheimer law combined with Computational Fluid Dynamics (CFD) modelling was deployed to simulate the pressure drop over an activated carbon fiber (ACF) filter with varying filter thickness. The CFD model was later combined with adsorption modelling to simulate breakthrough profiles of acetaldehyde adsorption on the ACF-filter. The adsorption model incorporates mass transfer resistance and adsorption equilibrium. It assumes local equilibrium between gas phase and solid phase. The latter was investigated for three different adsorption isotherms: linear, Langmuir and Freundlich adsorption. Successful agreement between model simulations and experimental data was obtained, using the Freundlich adsorption model. The numerical model could provide valuable insights and allows to continuously improve the design of filtration devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459009800009 Publication Date 2019-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:156996 Serial 7590
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Author Klaassen, L.; van der Snickt, G.; Legrand, S.; Higgitt, C.; Spring, M.; Vanmeert, F.; Rosi, F.; Brunetti, B.G.; Postec, M.; Janssens, K.
Title Characterization and removal of a disfiguring oxalate crust on a large altarpiece by Hans Memling Type H1 Book chapter
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 263-282 T2 - Metal soaps in art / Casadio, F. [edi
Keywords H1 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract During the conservation treatment of Memling’s Christ with Singing and Music-making Angels, three panel paintings that are among the most monumental works in early Netherlandish art, the conservators came across insoluble surface layers containing calcium oxalates. A very thin and irregular layer of this type, hardly visible to the naked eye, was spread across the surface of all three panels. A much thicker layer forming an opaque and highly disfiguring crust that obscured the composition (Figs. 15.1 and 15.7) was locally present on areas of dark copper-containing paint, where multiple layers of old discolored coatings and accretions remained in place before the most recent cleaning. This article describes the application of a wide range of analytical techniques in order to fully understand the stratigraphy and composition of the crusts on the Memling paintings. FTIR spectroscopy in transmission and reflection mode, micro-ATR-FTIR imaging and macro-rFTIR scanning, SEM-EDX, mobile XRD, and SR-μXRD showed that the crusts contained two related Ca-based oxalate salts, whewellite and weddellite, and were separated from the original paint surface by varnish, indicating that they did not originate from degradation of the original paint but from a combination of microbial action and a thick accumulation of dirt. Supported by the results from these different analytical techniques, which when used together proved to be very effective in providing complementary information that addressed this specific conservation problem, and aided by the presence of the intermediate varnish layer(s), the conservators were able to remove most of the crusts with spectacular results.
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Publisher Place of Publication Editor
Language Wos Publication Date 2019-03-23
Series Editor Series Title Abbreviated Series Title
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ISSN ISBN 978-3-319-90616-4 Additional Links UA library record
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Notes Approved no
Call Number UA @ admin @ c:irua:190778 Serial 7609
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