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Author Bafekry, A.; Shahrokhi, M.; Yagmurcukardes, M.; Gogova, D.; Ghergherehchi, M.; Akgenc, B.; Feghhi, S.A.H.
Title Surface functionalization of the honeycomb structure of zinc antimonide (ZnSb) monolayer : a first-principles study Type A1 Journal article
Year 2021 Publication Surface Science Abbreviated Journal Surf Sci
Volume 707 Issue Pages 121796
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural, electronic, optic and vibrational properties of Zinc antimonide (ZnSb) monolayers and their func-tionalized (semi-fluorinated and fully chlorinated) structures are investigated by means of the first-principles calculations. The phonon dispersion curves reveal the presence of imaginary frequencies and thus confirm the dynamical instability of ZnSb monolayer. The calculated electronic band structure corroborates the metallic character with fully-relativistic calculations. Moreover, we analyze the surface functionalization effect on the structural, vibrational, and electronic properties of the pristine ZnSb monolayer. The semi-fluorinated and fully-chlorinated ZnSb monolayers are shown to be dynamically stable in contrast to the ZnSb monolayer. At the same time, semi-fluorination and fully-chlorination of ZnSb monolayer could effectively modulate the metallic elec-tronic properties of pristine ZnSb. In addition, a magnetic metal to a nonmagnetic semiconductor transition with a band gap of 1 eV is achieved via fluorination, whereas a transition to a semiconducting state with 1.4 eV band gap is found via chlorination of the ZnSb monolayer. According to the optical properties analysis, the first ab-sorption peaks of the fluorinated-and chlorinated-ZnSb monolayers along the in-plane polarization are placed in the infrared range of spectrum, while they are in the middle ultraviolet for the out-of-plane polarization. Interestingly, the optically anisotropic behavior of these novel monolayers along the in-plane polarizations is highly desirable for design of polarization-sensitive photodetectors. The results of the calculations clearly proved that the tunable electronic properties of the ZnSb monolayer can be realized by chemical functionalization for application in the next generation nanoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000626633500001 Publication Date 2020-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.062 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.062
Call Number UA @ admin @ c:irua:177623 Serial 7026
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Author Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H.
Title Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 129 Issue 15 Pages 155103
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, a two-dimensional (2D) MoSi 2N 4 (MSN) structure has been successfully synthesized [Hong et al., Science 369(6504), 670-674 (2020)]. Motivated by this result, we investigate the structural, electronic, and optical properties of MSN monolayer (MSN-1L) and bilayer (MSN-2L) under the applied electric field (E-field) and strain using density functional theory calculations. We find that the MSN-2L is a semiconductor with an indirect bandgap of 1.60 (1.80)eV using Perdew-Burke-Ernzerhof (HSE06). The bandgap of MSN-2L decreases as the E-field increases from 0.1 to 0.6V/angstrom and for larger E-field up to 1.0V/angstrom the bilayer becomes metallic. As the vertical strain increases, the bandgap decreases; more interestingly, a semiconductor to a metal phase transition is observed at a strain of 12 %. Furthermore, the optical response of the MSN-2L is in the ultraviolet (UV) region of the electromagnetic spectrum. The absorption edge exhibits a blue shift by applying an E-field or a vertical compressive strain. The obtained interesting properties suggest MSN-2L as a promising material in electro-mechanical and UV opto-mechanical devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000640620400003 Publication Date 2021-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.068
Call Number UA @ admin @ c:irua:178233 Serial 6981
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Author Osca, J.; Sorée, B.
Title Torque field and skyrmion motion by spin transfer torque in a quasi-2D interface in presence of strong spin-orbit interaction Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 130 Issue 13 Pages 133903
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the torque field and skyrmion motion at an interface between a ferromagnet hosting a skyrmion and a material with a strong spin-orbit interaction. We analyze both semiconductor materials and topological insulators using a Hamiltonian model that includes a linear term. The spin torque-inducing current is considered to flow in the single band limit; therefore, a quantum model of current is used. Skyrmion motion due to spin transfer torque proves to be more difficult in the presence of a spin-orbit interaction in the case where only interface in-plane currents are present. However, edge effects in narrow nanowires can be used to drive the skyrmion motion and to exert a limited control on its motion direction. We also show the differences and similarities between torque fields due to electric current in the many and single band limits. Published under an exclusive license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000755090400003 Publication Date 2021-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.068
Call Number UA @ admin @ c:irua:186452 Serial 7034
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Author Karaaslan, Y.; Haskins, J.B.; Yapicioglu, H.; Sevik, C.
Title Influence of randomly distributed vacancy defects on thermal transport in two-dimensional group-III nitrides Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 129 Issue 22 Pages 224304
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Efficient thermal transport control is a fundamental issue for electronic device applications such as information, communication, and energy storage technologies in modern electronics in order to achieve desired thermal conditions. Structural defects in materials provide a mechanism to adjust the thermal transport properties of these materials on demand. In this context, the effect of structural defects on lattice thermal conductivities of two-dimensional hexagonal binary group-III nitride (XN, X = B, Al, and Ga) semiconductors is systematically investigated by means of classical molecular dynamics simulations performed with recently developed transferable inter-atomic potentials accurately describing defect energies. Here, two different Green-Kubo based approaches and another approach based on non-equilibrium molecular dynamics are compared in order to get an overall understanding. Our investigation clearly shows that defect concentrations of 3% decrease the thermal conductivity of systems containing these nitrites up to 95%. Results hint that structural defects can be used as effective adjustment parameters in controlling thermal transport properties in device applications associated with these materials. Published under an exclusive license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000692024300001 Publication Date 2021-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.068
Call Number UA @ admin @ c:irua:181618 Serial 8096
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Author Saiz, F.; Karaaslan, Y.; Rurali, R.; Sevik, C.
Title Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 129 Issue 15 Pages 155105
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present here a new interatomic potential parameter set to predict the thermal conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is parameterized using data collected with first-principles calculations. We use non-equilibrium molecular dynamics simulations to predict the thermal conductivity. The generated parameters result in very good agreement in structural, mechanical, and dynamical parameters. The room temperature lattice thermal conductivity ( kappa) of the considered crystal is predicted to be kappa x x = 25.69Wm – 1K – 1 and kappa y y = 42.38Wm – 1K – 1, which both agree well with their corresponding first-principles values with a discrepancy of less than 5%. Moreover, the calculated kappa variation with temperature (200 and 400 K) are comparable within the framework of the accuracy of both first-principles and molecular dynamics simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000641993600001 Publication Date 2021-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.068
Call Number UA @ admin @ c:irua:178234 Serial 8112
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Author Sun, J.; Li, Y.; Karaaslan, Y.; Sevik, C.; Chen, Y.
Title Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 130 Issue 3 Pages 035301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000694725800001 Publication Date 2021-07-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.068
Call Number UA @ admin @ c:irua:181623 Serial 8254
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Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P.
Title Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng
Volume Issue Pages 1-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000859840100001 Publication Date 2022-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.1 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.1
Call Number UA @ admin @ c:irua:189284 Serial 7160
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Author Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J.
Title ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography Type A1 Journal article
Year 2022 Publication Inverse problems Abbreviated Journal Inverse Probl
Volume 38 Issue 12 Pages 125002-125033
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000868885200001 Publication Date 2022-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.1 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.1
Call Number UA @ admin @ c:irua:191536 Serial 7280
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Author Ysebaert, T.; Koch, K.; Samson, R.; Denys, S.
Title Green walls for mitigating urban particulate matter pollution : a review Type A1 Journal article
Year 2021 Publication Urban Forestry & Urban Greening Abbreviated Journal Urban For Urban Gree
Volume 59 Issue Pages 127014
Keywords A1 Journal article; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Air pollution caused by particulate matter (PM) is a well-known health issue in urban environments. Urban green infrastructure offers opportunities as a nature-based solution to urban PM pollution. Green walls have advantages over other types of urban green infrastructure, since they can be applied to the enormous available wall area in cities and since they do not interfere with the prevailing ventilation resulting in elevated PM levels. However, this has raised questions about the effectiveness of GW in removing PM and this could explain the limited applicability of green walls to tackle PM pollution. Nevertheless, it is suggested that green walls have a significant unexploited potential and this review article aims to address current knowledge gaps and to propose future research requirements for the implementation of green walls to mitigate urban PM pollution. An in-depth analysis is given of the mechanisms behind PM deposition and the influence of vegetation properties on this process, as well as the practices followed to model PM dispersion and deposition. It was suggested that particle deposition on green walls depends on the green wall species, pollution level, and the residence time of PM in a street (canyon). Rainfall plays an important role in the PM pathway, although it is not a necessary requirement to sustain PM deposition on plant leaves. There are still some discrepancies in the literature about the ideal plant characteristics for PM deposition in terms of the macro- and microstructures that require further investigation, especially in comparison with tree and shrub species. In addition, extensively validated models are required to accurately calculate the impact of green walls on air flow and the PM concentration on site.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000632597600001 Publication Date 2021-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.113 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.113
Call Number UA @ admin @ c:irua:175581 Serial 8011
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Author Liang, Y.-S.; Xue, C.; Zhang, Y.-R.; Wang, Y.-N.
Title Investigation of active species in low-pressure capacitively coupled N-2/Ar plasmas Type A1 Journal article
Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas
Volume 28 Issue 1 Pages 013510
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a self-consistent fluid model is developed focusing on the plasma parameters in capacitively coupled 20% N 2-80% Ar discharges. Measurements of ion density are performed with the help of a floating double probe, and the emission intensities from Ar(4p) and N 2 ( B ) transitions are detected by an optical emission spectroscopy to estimate their relative densities. The consistency between the numerical and experimental results confirms the reliability of the simulation. Then the plasma characteristics, specifically the reaction mechanisms of active species, are analyzed under various voltages. The increasing voltage leads to a monotonous increase in species density, whereas a less homogeneous radial distribution is observed at a higher voltage. Due to the high concentration of Ar gas, Ar + becomes the main ion, followed by the N 2 +</mml:msubsup> ion. Besides the electron impact ionization of neutrals, the charge transfer processes of Ar +/ N 2 and N 2 +</mml:msubsup>/Ar are found to have an impact on the ionic species. The results indicate that adopting the lower charge transfer reaction rate coefficients weakens the Ar + ion density and yields a higher N 2 +</mml:msubsup> ion density. However, the effect on the species spatial distributions and other species densities is limited. As for the excited-state species, the electron impact excitation of background gases remains overwhelming in the formation of Ar(4p), N 2 ( B ), and N 2 ( a ' ), whereas the <mml:msub> N 2 ( A ) molecules are mainly formed by the decay of <mml:msub> N 2 ( B ). In addition, the dissociation of <mml:msub> N 2 collided by excited-state Ar atoms dominates the N generation, which are mostly depleted to produce N + ions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000629931300002 Publication Date 2021-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.115 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.115
Call Number UA @ admin @ c:irua:177669 Serial 6767
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Author Xiaoyan, S.; Zhang, Y.-R.; Wang, Y.-N.; He, J.-X.
Title Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges Type A1 Journal article
Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas
Volume 28 Issue 11 Pages 113504-113510
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000760326100004 Publication Date 2021-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record
Impact Factor 2.115 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.115
Call Number UA @ admin @ c:irua:187245 Serial 7974
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Author Schalm, O.; Nuyts, G.; Janssens, K.
Title Some critical observations about the degradation of glass : the formation of lamellae explained Type A1 Journal article
Year 2021 Publication Journal Of Non-Crystalline Solids Abbreviated Journal J Non-Cryst Solids
Volume 569 Issue Pages 120984
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract This study demonstrates that the mechanism responsible for the transformation of glass into a degradation layer is pH-dependent. In acid conditions, the transformed glass is homogeneous and brittle. In mild alkaline conditions, transformed glass is heterogeneous due to the presence of lamellae composed of silica nanoparticles and the occurrence of Ca-rich inclusions. The fundamental difference between acid and alkaline conditions cannot be explained by the currently accepted degradation mechanism based on ion exchange. To explain this critical observation, we propose a refined degradation mechanism based on existing knowledge that involves several inwardly moving reaction fronts. The fronts responsible for the transformation of the silicate network into amorphous silica are also responsible for the morphology of the transformed glass. We have identified the feedback mechanism that explains the formation of lamellae in alkaline conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000674487200009 Publication Date 2021-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.124 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.124
Call Number UA @ admin @ c:irua:179835 Serial 8551
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Author Mudronja, D.; Vanmeert, F.; Fazinic, S.; Janssens, K.; Tibljas, D.; Desnica, V.
Title Protection of stone monuments using a brushing treatment with ammonium oxalate Type A1 Journal article
Year 2021 Publication Coatings Abbreviated Journal Coatings
Volume 11 Issue 4 Pages 379
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Stone monuments and buildings are susceptible to weathering. Carbonate-based stones are especially vulnerable in acidic environments, whereas magmatic acidic stones are more susceptible to chemical weathering in basic environments. To slow down surface corrosion of limestone and marble artworks/buildings, protective coatings which inhibit calcite dissolution have been proposed. In this work, samples from two stone types with different porosity were treated with ammonium oxalate (AmOx) to create a protective layer of calcium oxalate (CaOx) using the previously developed brushing method. Two different synchrotron microscopy experiments were performed to determine its protective capability. X-ray powder diffraction (SR-mu-XRPD) in transmission geometry allowed visualization of the distributions of calcium carbonate and oxalates along the sample depths. In a second step, X-ray fluorescence (SR-mu-XRF) was used to check the efficiency/integrity of the protective surface coating layer. This was done by measuring the sulfur distribution on the stone surface after exposing the protected stones to sulfuric acid. XRPD showed the formation of a protective oxalate layer with a thickness of 5-15 mu m on the less porous stone, while a 20-30 mu m thick layer formed on the more porous stone. The XRF study showed that the optimal treatment time depends on the stone porosity. Increasing the treatment time from 1 to 3 h resulted in a decreased efficiency of the protective layer for the low porosity stone. We assume that this is due to the formation of vertical channels (cracks) in the protective layer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000642940900001 Publication Date 2021-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-6412 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.175 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.175
Call Number UA @ admin @ c:irua:178271 Serial 8428
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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 Open Access
Notes Approved (up) Most recent IF: 2.191
Call Number UA @ admin @ c:irua:163043 Serial 6172
Permanent link to this record
 

 
Author Matnazarova, S.; Khalilov, U.; Yusupov, M.
Title Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes Type A1 Journal article
Year 2023 Publication Molecular simulation Abbreviated Journal
Volume 49 Issue 17 Pages 1575-1581
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit hydrophobic behaviour, they can have a cytotoxic effect on cells, which limits their practical use in biomedicine. The toxicity of CNTs can be reduced by adding water-soluble functional radicals to their surface, i.e. by increasing their hydrophilicity. Another possibility for increasing the hydrophilicity of CNTs is probably filling them with endohedral metal atoms, which has not yet been studied. Thus, in this study, we use computer simulations to investigate the combined effect of endohedral nickel atoms and functional groups on the hydrophilicity of CNTs. Our simulation results show that the introduction of endohedral nickel atoms into CNTs increases their binding energy with functional groups. We also find that the addition of functional groups to the surface of CNT, along with filling it with endohedral nickel atoms, leads to an increase in the dipole moment of the CNT as well as its interaction energy with water, thereby increasing the hydrophilicity of the CNT and, consequently, its solubility in water. This, in turn, can lead to a decrease in CNT toxicity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001059544800001 Publication Date 2023-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0892-7022 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.1 Times cited Open Access
Notes Approved (up) Most recent IF: 2.1; 2023 IF: 1.254
Call Number UA @ admin @ c:irua:199261 Serial 9027
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Author Nguyen, D.K.; Hoat, D.M.; Bafekry, A.; Van On, V.; Rivas-Silva, J.F.; Naseri, M.; Cocoletzi, G.H.
Title Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials Type A1 Journal article
Year 2021 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E
Volume 131 Issue Pages 114732
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this paper, two new monolayers, namely PtOS and PtOSe, are theoretically predicted using first-principles calculations. Structural, electronic, optical and thermoelectric properties are explored using full-potential linearized augmented plane-wave (FP-LAPW) method and the semiclassical Boltzmann transport theory. Predicted two-dimensional (2D) materials show good dynamical, thermodynamic and structural stability. Calculated electronic structures indicate the indirect gap semiconductor nature of the PtOS and PtOSe single layers with energy gap of 1.346(2.436) and 0.978(1.978) eV as calculated with the WC(HSE06) functional, respectively. Density of states spectra and valence charge distribution maps suggest a mix of covalent and ionic characters of the chemical bonds. 2D materials at hand exhibit good absorption property in the visible regime with coefficient value reaching the order of 105/cm, even much larger in the ultraviolet, suggesting the promising optoelectronic applicability. Finally, the thermoelectric parameters including electrical conductivity, thermal conductivity, Seebeck coefficient, power factor and figure of merit are determined and analyzed. Results indicate prospective thermoelectric performance of both considered single layers as demonstrated by large figure of merit close to unity. Our work introduces two new 2D multifunctional materials that may possess potential applications in the optoelectronic and thermoelectric nano-devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000647410700007 Publication Date 2021-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.221 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.221
Call Number UA @ admin @ c:irua:178346 Serial 7030
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Author Gonzalez-Quiroga, A.; Shtern, V.; Perreault, P.; Vandewalle, L.; Marin, G.B.; Van Geem, K.M.
Title Intensifying mass and heat transfer using a high-g stator-rotor vortex chamber Type A1 Journal article
Year 2021 Publication Chemical Engineering And Processing Abbreviated Journal Chem Eng Process
Volume 169 Issue Pages 108638-11
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Vortex reactors take advantage of the synergy between enhanced heat and mass transfer rates and multifunctional phenomena at different temporal and spatial scales. Proof-of-concept experiments with our novel and innovative STAtor-Rotor VOrtex Chamber (STARVOC) confirm its advantageous features for the sustainable production of chemicals and fuels. STARVOC is a high-g contactor that uses carrier flow (gas or liquid) tangential injection to drive a rotor attached to low-friction bearings. The vortex chamber inside the rotor contains a secondary phase or phases, such as a solids bed, a liquid layer, or a suspension. Carrier fluid passes through the perforated rotor wall and contacts a densely and uniformly distributed secondary phase with enhanced slip velocities. Experiments focused on pressure profiles, rotor angular velocity, and solids azimuthal velocity. With air as the carrier fluid and different solid particle beds as the secondary phase, STARVOC reached bed azimuthal velocities up to four-fold compared to those reached in Gas-Solid Vortex Units with fully static geometry. These results show its potential to improve interfacial heat and mass transfer rates and take advantage of flow energy and angular momentum. Due to its process intensification capabilities, STARVOC is a promising alternative for the state-of-the-art chemical industry.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000704946900008 Publication Date 2021-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0255-2701 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.234 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.234
Call Number UA @ admin @ c:irua:181062 Serial 8111
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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 Open Access
Notes Approved (up) Most recent IF: 2.262
Call Number UA @ admin @ c:irua:156009 Serial 6189
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Author Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Hadermann, J.
Title Structural and magnetic properties of the perovskites A₂LaFe₂SbO₉ (A = Ca, Sr, Ba) Type A1 Journal article
Year 2021 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
Volume 295 Issue Pages 121914
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline samples of A(2)LaFe(2)SbO(9) (A = Ca, Sr, Ba) perovskites appeared monophasic to X-ray or neutron powder diffraction but a single-crystal study utilising transmission electron microscopy revealed a greater level of complexity. Although local charge balance is maintained, compositional and structural variations are present among and within the submicron-sized crystals. Despite the inhomogeneity, A = Ca is monophasic with a partially-ordered distribution of Fe3+ and Sb5+ cations across two crystallographically-distinct octahedral sites, i.e. Ca2La(Fe1.25Sb0.25)(2d) (Fe0.75Sb0.75)(2c)O-9. For A = Sr or Ba, the inhomogeneities result in differences in the filling patterns of the octahedra and the ordering of the B cations. Particles of A = Sr contain a phase (Fe:Sb similar to 2:1) without B cation ordering and one (Fe:Sb similar to 1:1) with B cation ordering. Monophasic A = Ba lacks long-range cation order although ordered nanodomains are present within the disordered phase. The temperature dependence of the magnetic properties of each sample is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000615711800013 Publication Date 2020-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.299
Call Number UA @ admin @ c:irua:176663 Serial 6739
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Author Golovachev, I.B.; Mychinko, M.Y.; Volkova, N.E.; Gavrilova, L.Y.; Raveau, B.; Maignan, A.; Cherepanov, V.A.
Title Effect of cobalt content on the properties of quintuple perovskites Sm₂Ba₃Fe₅-xCoxO₁₅-δ Type A1 Journal article
Year 2021 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
Volume 301 Issue Pages 122324
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Quintuple perovskites Sm2Ba3Fe5-xCoxO15-delta = 0.5, 1.0 and 1.5) have been prepared by glycerin-nitrate tech- nique in air. The phase purity was confirmed by XRD. Partial substitution of Co for Fe decreases the oxygen content and thus the mean oxidation state of 3d-metals. It also slightly decreases the thermal expansion coefficient of oxides. Positive value of the Seebeck coefficient confirmed p-type conductivity, though the thermopower decreases as the Co content increases. The temperature dependence of electrical conductivity reveals a maximum at 550-750 degrees C.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000684543700028 Publication Date 2021-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.299
Call Number UA @ admin @ c:irua:181656 Serial 6864
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Author Van Oijstaeijen, W.; Van Passel, S.; Cools, J.; Janssens de Bisthoven, L.; Huge, J.; Berihun, D.; Ejigu, N.; Nyssen, J.
Title Farmers' preferences towards water hyacinth control : a contingent valuation study Type A1 Journal article
Year 2020 Publication Journal Of Great Lakes Research Abbreviated Journal J Great Lakes Res
Volume 46 Issue 5 Pages 1459-1468
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Lake Tana is the most important freshwater lake in Ethiopia. Besides pressures on water quality resulting from urbanization and deforestation, the invasion of the exotic water hyacinth (Eichhornia crassipes) poses new threats to the ecosystem. Water hyacinth, endemic to South America, is widely considered as the world's worst aquatic invasive weed. In 2011, the weed appeared on the northern shores of Lake Tana, expanding in south-eastern direction. The lake area affected by water hyacinth was last estimated in 2015 at 34,500 ha, which equals 16% of the total lake surface. In this research, the benefits of water hyacinth control and eradication for the rural population inhabiting the northern and northeastern villages bordering Lake Tana, are investigated. In the area, the population largely depends on farming and fishing. An assessment of the total economic benefit of eradication was conducted. The stakeholder-centered approach led to measuring the willingness to contribute in labor and cash terms. Results showed smallholders in the study are willing to contribute over half-a-million euros annually. Costs of management actions can be weighed to the benefits, where further research is needed on the impact on other stakeholder groups. Moreover, wetland management should advance to explore multiple pathways in an integrated approach: water hyacinth control, water hyacinth utilization and sustainable waste water management. (C) 2020 International Association for Great Lakes Research. Published by Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000579717900036 Publication Date 2020-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0380-1330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited Open Access
Notes Approved (up) Most recent IF: 2.2; 2020 IF: 1.958
Call Number UA @ admin @ c:irua:173644 Serial 6925
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Author Gorji, S.; Kashiwar, A.; Mantha, L.S.; Kruk, R.; Witte, R.; Marek, P.; Hahn, H.; Kübel, C.; Scherer, T.
Title Nanowire facilitated transfer of sensitive TEM samples in a FIB Type A1 Journal article
Year 2020 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 219 Issue Pages 113075
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We introduce a facile approach to transfer thin films and other mechanically sensitive TEM samples inside a FIB with minimal introduction of stress and bending. The method is making use of a pre-synthetized flexible freestanding Ag nanowire attached to the tip of a typical tungsten micromanipulator inside the FIB. The main advantages of this approach are the significantly reduced stress-induced bending during transfer and attachment of the TEM sample, the very short time required to attach and cut the nanowire, the operation at very low dose and ion current, and only using the e-beam for Pt deposition during the transfer of sensitive TEM samples. This results in a reduced sample preparation time and reduced exposure to the ion beam or e-beam for Pt deposition during the sample preparation and thus also reduced contamination and beam damage. The method was applied to a number of thin films and different TEM samples in order to illustrate the advantageous benefits of the concept. In particular, the technique has been successfully tested for the transfer of a thin film onto a MEMS heating chip for in situ TEM experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2020-07-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record
Impact Factor 2.2 Times cited Open Access
Notes Approved (up) Most recent IF: 2.2; 2020 IF: 2.843
Call Number UA @ admin @ c:irua:183618 Serial 6871
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Author Wittner, N.; Gergely, S.; Slezsák, J.; Broos, W.; Vlaeminck, S.E.; Cornet, I.
Title Follow-up of solid-state fungal wood pretreatment by a novel near-infrared spectroscopy-based lignin calibration model Type A1 Journal article
Year 2023 Publication Journal of microbiological methods Abbreviated Journal
Volume 208 Issue Pages 106725-106727
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Lignin removal plays a crucial role in the efficient bioconversion of lignocellulose to fermentable sugars. As a delignification process, fungal pretreatment has gained great interest due to its environmental friendliness and low energy consumption. In our previous study, a positive linear correlation between acid-insoluble lignin degradation and the achievable enzymatic saccharification yield has been found, hereby highlighting the importance of the close follow-up of lignin degradation during the solid-state fungal pretreatment process. However, the standard quantification of lignin, which relies on the two-step acid hydrolysis of the biomass, is highly laborious and time-consuming. Vibrational spectroscopy has been proven as a fast and easy alternative; however, it has not been extensively researched on lignocellulose subjected to solid-state fungal pretreatment. Therefore, the present study examined the suitability of near-infrared spectroscopy (NIR) for the rapid and easy assessment of lignin content in poplar wood pretreated with Phanerochaete chrysosporium. Furthermore, the predictive power of the obtained calibration model and the recently published ATR-FTIR spectroscopy-based model were compared for the first time using the same fungus-treated wood data set. PLSR was used to correlate the NIR spectra to the acid-insoluble lignin contents (19.9%-27.1%) of pretreated wood. After normalization and second derivation, a PLSR model with a good coefficient of determination (RCV2 = 0.89) and a low root mean square error (RMSECV = 0.55%) were obtained despite the heterogeneous nature of the fungal solid-state fermentation. The performance of this PLSR model was comparably good to the one obtained by ATR-FTIR (RCV2 = 0.87) while it required more extensive spectral pre-processing. In conclusion, both methods will be highly useful for the high-throughput and user-friendly monitoring of lignin degradation in a solid-state fungal pretreatment-based biorefinery concept.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000983287400001 Publication Date 2023-04-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-7012 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.2 Times cited Open Access
Notes Approved (up) Most recent IF: 2.2; 2023 IF: 1.79
Call Number UA @ admin @ c:irua:195814 Serial 9038
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Author Leigh, S.; Doyle, S.J.; Smith, G.J.; Gibson, A.R.; Boswell, R.W.; Charles, C.; Dedrick, J.P.
Title Ionization and neutral gas heating efficiency in radio frequency electrothermal microthrusters : the role of driving frequency Type A1 Journal article
Year 2024 Publication Physics of plasmas Abbreviated Journal
Volume 31 Issue 2 Pages 023509-23513
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The development of compact, low power, charge-neutral propulsion sources is of significant recent interest due to the rising application of micro-scale satellite platforms. Among such sources, radio frequency (rf) electrothermal microthrusters present an attractive option due to their scalability, reliability, and tunable control of power coupling to the propellant. For micropropulsion applications, where available power is limited, it is of particular importance to understand how electrical power can be transferred to the propellant efficiently, a process that is underpinned by the plasma sheath dynamics. In this work, two-dimensional fluid/Monte Carlo simulations are employed to investigate the effects of applied voltage frequency on the electron, ion, and neutral heating in an rf capacitively coupled plasma microthruster operating in argon. Variations in the electron and argon ion densities and power deposition, and their consequent effect on neutral-gas heating, are investigated with relation to the phase-averaged and phase-resolved sheath dynamics for rf voltage frequencies of 6-108 MHz at 450 V. Driving voltage frequencies above 40.68 MHz exhibit enhanced volumetric ionization from bulk electrons at the expense of the ion heating efficiency. Lower driving voltage frequencies below 13.56 MHz exhibit more efficient ionization due to secondary electrons and an increasing fraction of rf power deposition into ions. Thermal efficiencies are improved by a factor of 2.5 at 6 MHz as compared to the more traditional 13.56 MHz, indicating a favorable operating regime for low power satellite applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001207449000001 Publication Date 2024-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record
Impact Factor 2.2 Times cited Open Access
Notes Approved (up) Most recent IF: 2.2; 2024 IF: 2.115
Call Number UA @ admin @ c:irua:205506 Serial 9156
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Author Gao, C.; Hofer, C.; Pennycook, T.J.
Title On central focusing for contrast optimization in direct electron ptychography of thick samples Type A1 Journal article
Year 2024 Publication Ultramicroscopy Abbreviated Journal
Volume 256 Issue Pages 113879-7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ptychography provides high dose efficiency images that can reveal light elements next to heavy atoms. However, despite ptychography having an otherwise single signed contrast transfer function, contrast reversals can occur when the projected potential becomes strong for both direct and iterative inversion ptychography methods. It has recently been shown that these reversals can often be counteracted in direct ptychography methods by adapting the focus. Here we provide an explanation of why the best contrast is often found with the probe focused to the middle of the sample. The phase contribution due to defocus at each sample slice above and below the central plane in this configuration effectively cancels out, which can prevent contrast reversals when dynamical scattering effects are not overly strong. In addition we show that the convergence angle can be an important consideration for removal of contrast reversals in relatively thin samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001112166400001 Publication Date 2023-11-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.2; 2024 IF: 2.843
Call Number UA @ admin @ c:irua:202029 Serial 9066
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Author Salbu, B.; Janssens, K.; Lind, O.C.; Proost, K.; Danesi, P.R.
Title Oxidation states of uranium in DU particles from Kosovo Type A1 Journal article
Year 2003 Publication Journal of environmental radioactivity Abbreviated Journal J Environ Radioactiv
Volume 64 Issue Pages 167-173
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000179855200009 Publication Date 2002-12-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0265-931x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.31 Times cited Open Access
Notes Approved (up) Most recent IF: 2.31; 2003 IF: 0.837
Call Number UA @ admin @ c:irua:39942 Serial 5766
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Author Hoat, D.M.; Nguyen, D.K.; Bafekry, A.; Van On, V.; Ul Haq, B.; Rivas-Silva, J.F.; Cocoletzi, G.H.
Title Strain-driven modulation of the electronic, optical and thermoelectric properties of beta-antimonene monolayer : a hybrid functional study Type A1 Journal article
Year 2021 Publication Materials Science In Semiconductor Processing Abbreviated Journal Mat Sci Semicon Proc
Volume 131 Issue Pages 105878
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electronic, optical, and thermoelectric properties of the beta-antimonene (beta-Sb) monolayer under the external biaxial strain effects are fully investigated through the first-principles calculations. The studied two-dimensional (2D) system is dynamically and structurally stable as examined via phonon spectrum and cohesive energy. At equilibrium, the beta-Sb single layer exhibits an indirect band gap of 1.310 and 1.786 eV as predicted by the PBE and HSE06 functionals, respectively. Applying external strain may induce the indirect-direct gap transition and significant variation of the energy gap. The calculated optical spectra indicate the enhancement of the optical absorption in a wide energy range from infrared to ultraviolet as induced by the applied strain. In the visible and ultraviolet regime, the absorption coefficient can reach values as large as 82.700 (10(4)/cm) and 91.458 (10(4)/cm). Results suggest that the thermoelectric performance may be improved considerably by applying proper external strain with the figure of merit reaching a value of 0.665. Our work demonstrates that the external biaxial strains may be an effective method to make the beta-Sb monolayer prospective 2D material for optoelectronic and thermoelectric applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000663422800002 Publication Date 2021-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-8001 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.359 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.359
Call Number UA @ admin @ c:irua:179565 Serial 7021
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Author Cagno, S.; Lind, O.C.; Popic, J.M.; Skipperud, L.; De Nolf, W.; Nuyts, G.; Vanmeert, F.; Jaroszewicz, J.; Janssens, K.; Salbu, B.
Title Micro-analytical characterization of thorium-rich aggregates from Norwegian NORM sites (Fen Complex, Telemark) Type A1 Journal article
Year 2020 Publication Journal Of Environmental Radioactivity Abbreviated Journal J Environ Radioactiv
Volume 219 Issue Pages 106273
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this study we performed microscopic characterization of mineral particles that were collected in the thorium-rich Fen Complex in Norway and identified and isolated based on autoradiography in function of their radioactivity. For this we combined information obtained with X-ray absorption mu-CT, mu-XRF and mu-XRD, both in bi- and in three-dimensional (tomographic) mode. We demonstrate that radionuclides and metals are heterogeneously distributed both within soil samples and within individual Th-enriched aggregates, which are characterised as low-density mineral bulk particles with high density material inclusions, where Th as well as several metals are highly concentrated. For these sites, it is important to take into account how these inhomogeneous distributions could affect the overall environmental behaviour of Th and progeny upon weathering due to human or environmental factors. Moreover, the estimated size of the Th-containing inclusions as determined in this work represents information of importance for the characterization of radionuclides and toxic metals exposure, as well as for assessing the viability of mining for Th and rare-earth metals in the Fen Complex and the associated environmental impact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000535130500005 Publication Date 2020-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0265-931x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.3 Times cited Open Access
Notes Approved (up) Most recent IF: 2.3; 2020 IF: 2.31
Call Number UA @ admin @ c:irua:181195 Serial 8229
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Author Lian, M.; Shi, P.; Zhang, L.; Yao, W.; Gielis, J.; Niklas, K.J.
Title A generalized performance equation and its application in measuring the Gini index of leaf size inequality Type A1 Journal article
Year 2023 Publication Trees: structure and function Abbreviated Journal
Volume 37 Issue Pages 1555-1565
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The goal of this study is to provide a rigorous tool to quantify the inequality of the leaf size distribution of an individual plant, thereby serving as a reference trait for quantifying plant adaptations to local environmental conditions. The tool to be presented and tested employs three components: (1) a performance equation (PE), which can produce flexible asymmetrical and symmetrical bell-shaped curves, (2) the Lorenz curve (i.e., the cumulative proportion of leaf size vs. the cumulative proportion of number of leaves), which is the basis for calculating, and (3) the Gini index, which measures the inequality of leaf size distribution. We sampled 12 individual plants of a dwarf bamboo and measured the area and dry mass of each leaf of each plant. We then developed a generalized performance equation (GPE) of which the PE is a special case and fitted the Lorenz curve to leaf size distribution using the GPE and PE. The GPE performed better than the PE in fitting the Lorenz curve. We compared the Gini index of leaf area distribution with that of leaf dry mass distribution and found that there was a significant difference between the two indices that might emerge from the scaling relationship between leaf dry mass and area. Nevertheless, there was a strong correlation between the two Gini indices (r2 = 0.9846). This study provides a promising tool based on the GPE for quantifying the inequality of leaf size distributions across individual plants and can be used to quantify plant adaptations to local environmental conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001069570200001 Publication Date 2023-08-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0931-1890; 1432-2285 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.3 Times cited Open Access Not_Open_Access: Available from 26.02.2024
Notes Approved (up) Most recent IF: 2.3; 2023 IF: 1.842
Call Number UA @ admin @ c:irua:199562 Serial 8874
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Author Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G.
Title Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays Type A1 Journal article
Year 2022 Publication Letters in applied microbiology Abbreviated Journal Lett Appl Microbiol
Volume 75 Issue 5 Pages 1275-1285
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000837055500001 Publication Date 2022-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0266-8254 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.4 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.4
Call Number UA @ admin @ c:irua:189519 Serial 7162
Permanent link to this record