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Author	Borah, R.; Verbruggen, S.W.
Title	Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume		Issue		Pages	acs.jpcc.0c02630
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	Bimetallic plasmonic nanoparticles enable tuning of the optical response and chemical stability by variation of the composition. The present numerical simulation study compares Ag–Au alloy, Ag@Au core–shell, and Au@Ag core–shell bimetallic plasmonic nanoparticles of both spherical and anisotropic (nanotriangle and nanorods) shapes. By studying both spherical and anisotropic (with LSPR in the near-infrared region) shapes, cases with and without interband transitions of Au can be decoupled. Explicit comparisons are facilitated by numerical models supported by careful validation and examination of optical constants of Au–Ag alloys reported in the literature. Although both Au–Ag core–shell and alloy nanoparticles exhibit an intermediary optical response between that of pure Ag and Au nanoparticles, there are noticeable differences in the spectral characteristics. Also, the effect of the bimetallic constitution in anisotropic nanoparticles is starkly different from that in spherical nanoparticles due to the absence of Au interband transitions in the former case. In general, the improved chemical stability of Ag nanoparticles by incorporation of Au comes with a cost of reduction in plasmonic enhancement, also applicable to anisotropic nanoparticles with a weaker effect. A photothermal heat transfer study confirms that increased absorption by the incorporation of Au in spherical Ag nanoparticles also results in an increased steady-state temperature. On the other hand, anisotropic nanoparticles are inherently better absorbers and hence better photothermal sources, and their photothermal properties are apparently not strongly affected by the incorporation of one metal in the other. This study of the optical/spectral and photothermal characteristics of bimetallic Au–Ag alloy versus core–shell nanoparticles provides detailed physical insight for development of new taylor-made plasmonic nanostructures.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000538758700039	Publication Date	2020-05-19
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited		Open Access
Notes	Universiteit Antwerpen, DOCPRO4 Rituraj Borah ;			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	DuEL @ duel @c:irua:169223			Serial	6368
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Author	Vermeiren, V.; Bogaerts, A.
Title	Plasma-Based CO₂Conversion: To Quench or Not to Quench?			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	34	Pages	18401-18415
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Plasma technology is gaining increasing interest for CO2 conversion. The gas temperature in (and after) the plasma reactor largely aﬀects the performance. Therefore, we examine the eﬀect of cooling/quenching, during and after the plasma, on the CO2 conversion and energy eﬃciency, for typical “warm” plasmas, by means of chemical kinetics modeling. For plasmas at low speciﬁc energy input (SEI ∼ 0.5 eV/molecule), it is best to quench at the plasma end, while for high-SEI plasmas (SEI ∼ 4 eV/molecule), quenching at maximum conversion is better. For low-SEI plasmas, quenching can even increase the conversion beyond the dissociation in the plasma, known as superideal quenching. To better understand the eﬀects of quenching at diﬀerent plasma conditions, we study the dissociation and recombination rates, as well as the vibrational distribution functions (VDFs) of CO2, CO, and O2. When a high vibrational−translational (VT) nonequilibrium exists at the moment of quenching, the dissociation and recombination reaction rates both increase. Depending on the conversion degree at the moment of quenching, this can lead to a net increase or decrease of CO2 conversion. In general, however, and certainly for equilibrium plasmas at high temperature, quenching after the plasma helps prevent recombination reactions and clearly enhances the ﬁnal CO2 conversion. We also investigate the eﬀect of diﬀerent quenching cooling rates on the CO2 conversion and energy eﬃciency. Finally, we compare plasma-based conversion to purely thermal conversion. For warm plasmas with typical temperatures of 3000−4000 K, the conversion is roughly thermal.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000566481000003	Publication Date	2020-08-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited		Open Access	OpenAccess
Notes	Fonds Wetenschappelijk Onderzoek, G.0383.16N ; H2020 European Research Council, 810182 ; This research was supported by the FWO project (grant no. G.0383.16N) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 810182SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen.			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	PLASMANT @ plasmant @c:irua:172052			Serial	6407
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Author	van ‘t Veer, K.; Engelmann, Y.; Reniers, F.; Bogaerts, A.
Title	Plasma-Catalytic Ammonia Synthesis in a DBD Plasma: Role of Microdischarges and Their Afterglows			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	42	Pages	22871-22883
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Abstract	Plasma-catalytic ammonia synthesis is receiving ever increasing attention, especially in packed bed dielectric barrier discharge (DBD) reactors. The latter typically operate in the ﬁlamentary regime when used for gas conversion applications. While DBDs are in principle well understood and already applied in the industry, the incorporation of packing materials and catalytic surfaces considerably adds to the complexity of the plasma physics and chemistry governing the ammonia formation. We employ a plasma kinetics model to gain insights into the ammonia formation mechanisms, paying special attention to the role of ﬁlamentary microdischarges and their afterglows. During the microdischarges, the synthesized ammonia is actually decomposed, but the radicals created upon electron impact dissociation of N2 and H2 and the subsequent catalytic reactions cause a net ammonia gain in the afterglows of the microdischarges. Under our plasma conditions, electron impact dissociation of N2 in the gas phase followed by the adsorption of N atoms is identiﬁed as a rate-limiting step, instead of dissociative adsorption of N2 on the catalyst surface. Both elementary Eley−Rideal and Langmuir−Hinshelwood reaction steps can be found important in plasma-catalytic NH3 synthesis.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000585970300002	Publication Date	2020-10-22
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited		Open Access	OpenAccess
Notes	Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ;This research was supported by the Excellence of Science FWOFNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182-SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. The authors would also like to thank Järi Van den Hoek and Dr. Yury Gorbanev for providing the experimentally measured electrical characteristics and Dr. Fatme Jardali for creating the TOC graphics.			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	PLASMANT @ plasmant @c:irua:173587			Serial	6428
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Author	Michiels, R.; Engelmann, Y.; Bogaerts, A.
Title	Plasma Catalysis for CO₂Hydrogenation: Unlocking New Pathways toward CH₃OH			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	47	Pages	25859-25872
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Abstract	We developed a microkinetic model to reveal the eﬀects of plasma-generated radicals, intermediates, and vibrationally excited species on the catalytic hydrogenation of CO2 to CH3OH on a Cu(111) surface. As a benchmark, we ﬁrst present the mechanisms of thermal catalytic CH3OH formation. Our model predicts that the reverse water-gas shift reaction followed by CO hydrogenation, together with the formate path, mainly contribute to CH3OH formation in thermal catalysis. Adding plasma-generated radicals and intermediates results in a higher CH3OH turnover frequency (TOF) by six to seven orders of magnitude, showing the potential of plasma-catalytic CO2 hydrogenation into CH3OH, in accordance with the literature. In addition, CO2 vibrational excitation further increases the CH3OH TOF, but the eﬀect is limited due to relatively low vibrational temperatures under typical plasma catalysis conditions. The predicted increase in CH3OH formation by plasma catalysis is mainly attributed to the increased importance of the formate path. In addition, the conversion of plasma-generated CO to HCO* and subsequent HCOO* or H2CO* formation contribute to CH3OH formation. Both pathways bypass the HCOO* formation from CO2, which is the main bottleneck in the process. Hence, our model points toward the important role of CO, but also O, OH, and H radicals, as they inﬂuence the reactions that consume CO2 and CO. In addition, our model reveals that the H pressure should not be smaller than ca. half of the O pressure in the plasma as this would cause O* poisoning, which would result in very small product TOFs. Thus, plasma conditions should be targeted with a high CO and H content as this is favorable for CH3OH formation, while the O content should be minimized.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000595545800023	Publication Date	2020-11-25
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited		Open Access	Not_Open_Access: Available from 15.07.2021
Notes	Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; We acknowledge the ﬁnancial support from the Fund for Scientiﬁc Research (FWO-Vlaanderen; grant ID 1114921N) and from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 810182 − SCOPE ERC Synergy project) as well as from the DOC-PRO3 and the TOPBOF projects of the University of Antwerp.			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	PLASMANT @ plasmant @c:irua:173864			Serial	6443
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Author	Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
Title	Assessment of sulfur-functionalized MXenes for li-ion battery applications			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	39	Pages	21293-21304
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000577151900008	Publication Date	2020-09-01
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	3.7	Times cited	15	Open Access
Notes	; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ;			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	UA @ admin @ c:irua:172693			Serial	6452
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Author	Mehta, A.N.; Mo, J.; Pourtois, G.; Dabral, A.; Groven, B.; Bender, H.; Favia, P.; Caymax, M.; Vandervorst, W.
Title	Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂ lattice			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	11	Pages	6472-6478
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Grain boundaries between 60 degrees rotated and twinned crystals constitute the dominant type of extended line defects in two-dimensional transition metal dichalcogenides (2D MX2) when grown on a single crystalline template through van der Waals epitaxy. The two most common 60 degrees grain boundaries in MX2 layers, i.e., beta- and gamma-boundaries, introduce distinct distortion and strain into the 2D lattice. They impart a localized tensile or compressive strain on the subsequent layer, respectively, due to van der Waals coupling in bilayer MX2 as determined by combining atomic resolution electron microscopy, geometric phase analysis, and density functional theory. Based on these observations, an alternate route to strain engineering through controlling intrinsic van der Waals forces in homobilayer MX2 is proposed. In contrast to the commonly used external means, this approach enables the localized application of strain to tune the electronic properties of the 2D semiconducting channel in ultra-scaled nanoelectronic applications.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000526396000067	Publication Date	2020-02-21
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	3.7	Times cited	2	Open Access
Notes	; ;			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	UA @ admin @ c:irua:168625			Serial	6528
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Author	Albrecht, W.; Bals, S.
Title	Fast Electron Tomography for Nanomaterials			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume		Issue		Pages	acs.jpcc.0c08939
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	Electron tomography (ET) has become a well-established technique to visualize nanomaterials in three dimensions. A vast richness in information can be gained by ET, but the conventional acquisition of a tomography series is an inherently slow process on the order of 1 h. The slow acquisition limits the applicability of ET for monitoring dynamic processes or visualizing nanoparticles, which are sensitive to the electron beam. In this Perspective, we summarize recent work on the development of emerging experimental and computational schemes to enhance the data acquisition process. We particularly focus on the application of these fast ET techniques for beam-sensitive materials and highlight insight into dynamic transformations of nanoparticles under external stimuli, which could be gained by fast in situ ET. Moreover, we discuss challenges and possible solutions for simultaneously increasing the speed and quality of fast ET.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000608876900003	Publication Date	2020-11-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.7	Times cited	26	Open Access	OpenAccess
Notes	H2020 Research Infrastructures, 823717 ; H2020 European Research Council, 815128 ; The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128-REALNANO) and the European Commission (EUSMI). The authors furthermore acknowledge funding from the European Union’s Horizon 2020 research and innovation program, ESTEEM3. The authors also acknowledge contributions from all co-workers that have contributed over the years: J. Batenburg and co-workers, A. Béché, E. Bladt, L. Liz-Marzán and co-workers, H. Pérez Garza and co-workers, A. Skorikov, S. Skrabalak and co-workers, S. Van Aert, A. van Blaaderen and co-workers, H. Vanrompay, and J. Verbeeck.; sygma			Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	EMAT @ emat @c:irua:173965			Serial	6656
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Author	Gjerding, M.N.; Cavalcante, L.S.R.; Chaves, A.; Thygesen, K.S.
Title	Efficient Ab initio modeling of dielectric screening in 2D van der Waals materials : including phonons, substrates, and doping			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	124	Issue	21	Pages	11609-11616
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	The quantum electrostatic heterostructure (QEH) model allows for efficient computation of the dielectric screening properties of layered van der Waals (vdW)-bonded heterostructures in terms of the dielectric functions of the individual two-dimensional (2D) layers. Here, we extend the QEH model by including (1) contributions to the dielectric function from infrared active phonons in the 2D layers, (2) screening from homogeneous bulk substrates, and (3) intraband screening from free carriers in doped 2D semiconductor layers. We demonstrate the potential of the extended QEH model by calculating the dispersion of coupled phonons in multilayer stacks of hexagonal boron-nitride (hBN), the strong hybridization of plasmons and optical phonons in graphene/hBN heterostructures, the effect of substrate screening on the exciton series of monolayer MoS2, and the properties of hyperbolic plasmons in a doped phosphorene sheet. The new QEH code is distributed as a Python package with a simple command line interface and a comprehensive library of dielectric building blocks for the most common 2D materials, providing an efficient open platform for dielectric modeling of realistic vdW heterostructures.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000614615900022	Publication Date	2020-05-04
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	3.7	Times cited		Open Access
Notes				Approved	Most recent IF: 3.7; 2020 IF: 4.536
Call Number	UA @ admin @ c:irua:176187			Serial	7852
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Author	Cordeiro, R.M.; Yusupov, M.; Razzokov, J.; Bogaerts, A.
Title	Parametrization and Molecular Dynamics Simulations of Nitrogen Oxyanions and Oxyacids for Applications in Atmospheric and Biomolecular Sciences			Type	A1 Journal article
Year	2020	Publication	Journal Of Physical Chemistry B	Abbreviated Journal	J Phys Chem B
Volume	124	Issue	6	Pages	1082-1089
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Nitrogen oxyanions and oxyacids are important agents in atmospheric chemistry and medical biology. Although their chemical behavior in solution is relatively well understood, they may behave very diﬀerently at the water/air interface of atmospheric aerosols or at the membrane/water interface of cells. Here, we developed a fully classical model for molecular dynamics simulations of NO3−, NO2−, HNO3, and HNO2 in the framework of the GROMOS 53A6 and 54A7 force ﬁeld versions. The model successfully accounted for the poorly structured solvation shell and ion pairing tendency of NO3−. Accurate pure-liquid properties and hydration free energies were obtained for the oxyacids. Simulations at the water/air interface showed a local enrichment of HNO3 and depletion of NO3−. The eﬀect was discussed in light of earlier spectroscopic data and ab initio calculations, suggesting that HNO3 behaves as a weaker acid at the surface of water. Our model will hopefully allow for eﬃcient and accurate simulations of nitrogen oxyanions and oxyacids in solution and at microheterogeneous interface environments.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000512222500015	Publication Date	2020-02-13
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1520-6106	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.3	Times cited		Open Access
Notes	We thank Universidade Federal do ABC for providing the computational resources needed for completion of this work. This study was ﬁnanced in part by the Coordenaçaõ de Aperfeiçoamento de Pessoal de Nı ́vel Superior – Brasil (CAPES) – Finance Code 001.			Approved	Most recent IF: 3.3; 2020 IF: 3.177
Call Number	PLASMANT @ plasmant @c:irua:166488			Serial	6340
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Author	Caglak, E.; Govers, K.; Lamoen, D.; Labeau, P.-E.; Verwerft, M.
Title	Atomic scale analysis of defect clustering and predictions of their concentrations in UO2+x			Type	A1 Journal article
Year	2020	Publication	Journal Of Nuclear Materials	Abbreviated Journal	J Nucl Mater
Volume	541	Issue		Pages	152403
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	The physical properties of uranium dioxide vary greatly with stoichiometry. Oxidation towards hyperstoichiometric UO2 – UO2+x – might be encountered at various stages of the nuclear fuel cycle if oxidative conditions are met; the impact of stoichiometry changes upon physical properties should therefore be properly assessed to ensure safe and reliable operations. These physical properties are intimately linked to the arrangement of atomic defects in the crystalline structure. The evolution of the defect concentration with environmental parameters – oxygen partial pressure and temperature – were evaluated by means of a point defect model where the reaction energies are derived from atomic-scale simulations. To this end, various configurations and net charge states of oxygen interstitial clusters in UO2 have been calculated. Various methodologies have been tested to determine the optimum cluster configurations and a rigid lattice approach turned out to be the most useful strategy to optimize defect configuration structures. Ultimately, results from the point defect model were discussed and compared to experimental measurements of stoichiometry dependence on oxygen partial pressure and temperature.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000575165800006	Publication Date	2020-08-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-3115	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.1	Times cited		Open Access	OpenAccess
Notes	This work is dedicated to the memory of Prof. Alain Dubus, ULB, Bruxelles, Belgium. Financial support from the SCK CEN is gratefully acknowledged.			Approved	Most recent IF: 3.1; 2020 IF: 2.048
Call Number	EMAT @ emat @c:irua:172464			Serial	6402
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Author	Ben Abdallah, M.A.; Bacchi, A.; Parisini, A.; Canossa, S.; Bergamonti, L.; Balestri, D.; Kamoun, S.
Title	Crystal structure, vibrational, electrical, optical and DFT study of C₂H₁0N₂(IO₃)₂.HIO₃			Type	A1 Journal article
Year	2020	Publication	Journal Of Molecular Structure	Abbreviated Journal	J Mol Struct
Volume	1215	Issue		Pages	128254-12
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The reinvestigation of the EDA-HIO3-H2O system using a different stoichiometric ratio gives rise to a new iodate salt C2H10N2(IO3)(2 center dot)HIO3 denoted as EBIMIA. In this study, we reported the structural properties of ethylenediammonium bis iodate mono iodic acid using X-ray powder and single crystal diffraction at room temperature. The Hirshfeld and the potential energy surface analysis reveal that I center dot center dot center dot O and N-H center dot center dot center dot O are the most noticeable interactions that took place inside the crystal and contribute to the cohesion and stability of the synthesized compound. The DSC measurement shows that this iodate salt undergoes two structural phase transitions, the first occurs at T = 290 K while the second occurs at T = 363 K. However, the dielectric analysis confirms only the second transition because it lies in the studied temperature domain 338-413K. Besides, the impedance data obey a circuit model consisting of a parallel combination of a bulk resistance and CPE. The frequency dispersion of the conductivity follows Jonscher's law and the charge carrier transport may be interpreted using the correlation barrier hopping mechanism (CBH). Finally, the electronic properties and the vibrational analysis of this novel iodate salt are studied using DFT and compared to the experimental data given by the FT-IR, Raman and UV-visible spectroscopies. (C) 2020 Elsevier B.V. All rights reserved.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000537221300012	Publication Date	2020-04-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-2860	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access	OpenAccess
Notes	; The authors are grateful to Pr. Giovani Predieri, Pr. Pier Paolo Lottici, and Pr. Danilo Bersani, for their help with the vibrational measurement. Moreover, authors wish to thank, Pr. Salvatore Vantaggio and Dr. Silvio Scaravonati for their contribution in carrying out the impedance spectroscopy measurements. The authors acknowledge also the Analytical Chemistry, Cultural Heritage, Inorganic Chemistry and Crystallography Unit (SCVSA department, university of Parma, Italy) and the Tunisian Ministry of Higher Education and Scientific Research (LR11ES46) for their support. ;			Approved	Most recent IF: 3.8; 2020 IF: 1.753
Call Number	UA @ admin @ c:irua:170148			Serial	6480
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Author	Kahraman, Z.; Yagmurcukardes, M.; Sahin, H.
Title	Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Research	Abbreviated Journal	J Mater Res
Volume	35	Issue	11	Pages	1397-1406
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000540764300005	Publication Date	2020-04-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0884-2914	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.7	Times cited	1	Open Access
Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ;			Approved	Most recent IF: 2.7; 2020 IF: 1.673
Call Number	UA @ admin @ c:irua:170185			Serial	6525
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Author	Ferreira da Costa, L.; de Lucena, L.C.F.L.; de Lucena, A.E.F.L.; Grangeiro de Barros, A.
Title	Use of Banana Fibers in SMA Mixtures			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials In Civil Engineering	Abbreviated Journal	J Mater Civil Eng
Volume	32	Issue	1	Pages	04019341
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB)
Abstract	Asphalt binder draindown is a potential issue related to stone matrix asphalt (SMA) mixtures. One convenient approach for reducing binder drainage is the use of fibers as stabilizing additives. This study assesses the feasibility of incorporating fibers from banana plants into an SMA mixture as a proposed use for residues from banana cultivation. We found the fiber content capable of preventing draindown and subsequently evaluated the influence of fiber length on the mechanical properties of an SMA mixture. Samples were prepared in a Superpave gyratory compactor with four different fiber lengths (5, 10, 15, and 20 mm) at a fixed content (0.3% by weight) and then compared to samples without fibers. Indirect tensile strength, resilient and dynamic modulus, flow number, and fatigue life tests were conducted. Overall, fibers improved the mechanical properties analyzed. These enhancements were more pronounced for the samples with 15- and 20-mm fibers. Thus, a smaller number of longer fibers was more beneficial to the fiber reinforcement of mixtures than a larger number of shorter fibers.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000497709300014	Publication Date	2019-11-13
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0899-1561	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.2	Times cited		Open Access
Notes				Approved	Most recent IF: 3.2; 2020 IF: 1.644
Call Number	UA @ admin @ c:irua:178728			Serial	8719
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Author	Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G.
Title	Growth mechanism of epitaxial SrTiO₃ on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry C	Abbreviated Journal	J Mater Chem C
Volume	8	Issue	2	Pages	518-527
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000506852400036	Publication Date	2019-10-28
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7526; 2050-7534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	6.4	Times cited	12	Open Access	OpenAccess
Notes	; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ;			Approved	Most recent IF: 6.4; 2020 IF: 5.256
Call Number	UA @ admin @ c:irua:165672			Serial	6298
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Author	Rutten, I.; Daems, D.; Lammertyn, J.
Title	Boosting biomolecular interactions through DNA origami nano-tailored biosensing interfaces			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry B	Abbreviated Journal	J Mater Chem B
Volume	8	Issue	16	Pages	3606-3615
Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	The interaction between a bioreceptor and its target is key in developing sensitive, specific and robust diagnostic devices. Suboptimal interbioreceptor distances and bioreceptor orientation on the sensor surface, resulting from uncontrolled deposition, impede biomolecular interactions and lead to a decreased biosensor performance. In this work, we studied and implemented a 3D DNA origami design, for the first time comprised of assay specifically tailored anchoring points for the nanostructuring of the bioreceptor layer on the surface of disc-shaped microparticles in the continuous microfluidic environment of the innovative EvalutionTM platform. This bioreceptor immobilization strategy resulted in the formation of a less densely packed surface with reduced steric hindrance and favoured upward orientation. This increased bioreceptor accessibility led to a 4-fold enhanced binding kinetics and a 6-fold increase in binding efficiency compared to a directly immobilized non-DNA origami reference system. Moreover, the DNA origami nanotailored biosensing concept outperformed traditional aptamer coupling with respect to limit of detection (11 × improved) and signal-to-noise ratio (2.5 × improved) in an aptamer-based sandwich bioassay. In conclusion, our results highlight the potential of these DNA origami nanotailored surfaces to improve biomolecular interactions at the sensing surface, thereby increasing the overall performance of biosensing devices. The combination of the intrinsic advantages of DNA origami together with a smart design enables bottom-up nanoscale engineering of the sensor surface, leading towards the next generation of improved diagnostic sensing devices.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000548186500032	Publication Date	2020-01-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-750x; 2050-7518	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	7	Times cited	2	Open Access
Notes	; We gratefully acknowledge financial support from Fund for Scientific Research (FWO, FWO-Flanders Doctoral grant Iene Rutten 1S30016N and FWO-Flanders Postdoctoral Fellow Devin Daems 12U1618N). We kindly thank MyCartis for access to their EvalutionTM platform, microparticle supplies and technical support. We would also like to thank Steven De Feyter and Joan Teyssandier (Molecular imaging and Photonics, Department of Chemistry, KU Leuven, Belgium) for providing the AFM facilities and technical support. We thank Peter Vangheluwe (Laboratory of Cellular Transport Systems, Department of Cellular and Molecular Medicine, KU Leuven) for access to their gel imaging system, Typhoon FLA 9000. ;			Approved	Most recent IF: 7; 2020 IF: 4.543
Call Number	UA @ admin @ c:irua:166104			Serial	6462
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Author	Bigiani, L.; Andreu, T.; Maccato, C.; Fois, E.; Gasparotto, A.; Sada, C.; Tabacchi, G.; Krishnan, D.; Verbeeck, J.; Ramon Morante, J.; Barreca, D.
Title	Engineering Au/MnO₂ hierarchical nanoarchitectures for ethanol electrochemical valorization			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry A	Abbreviated Journal	J Mater Chem A
Volume	8	Issue	33	Pages	16902-16907
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	The design of eco-friendly electrocatalysts for ethanol valorization is an open challenge towards sustainable hydrogen production. Herein we present an original fabrication route to effective electrocatalysts for the ethanol oxidation reaction (EOR). In particular, hierarchical MnO(2)nanostructures are grown on high-area nickel foam scaffolds by a plasma-assisted strategy and functionalized with low amounts of optimally dispersed Au nanoparticles. This strategy leads to catalysts with a unique morphology, designed to enhance reactant-surface contacts and maximize active site utilization. The developed nanoarchitectures show superior performances for ethanol oxidation in alkaline media. We reveal that Au decoration boosts MnO(2)catalytic activity by inducing pre-dissociation and pre-oxidation of the adsorbed ethanol molecules. This evidence validates our strategy as an effective route for the development of green electrocatalysts for efficient electrical-to-chemical energy conversion.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000562931300008	Publication Date	2020-07-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.9	Times cited	16	Open Access	OpenAccess
Notes	; This work was financially supported by Padova University DOR 2016-2019 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects, as well as by the INSTM Consortium (INSTMPD004 – NETTUNO), AMGA Foundation Mn4Energy project and Insubria University FAR2018. J. V. and D. K. acknowledge funding from the Flemish Government (Hercules), GOA project “Solarpaint” (Antwerp University) and European Union's H2020 programme under grant agreement no. 823717 ESTEEM3. The authors are grateful to Dr Gianluca Corr for skillful technical support. ; esteem3TA; esteem3reported			Approved	Most recent IF: 11.9; 2020 IF: 8.867
Call Number	UA @ admin @ c:irua:171989			Serial	6506
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Author	Bafekry, A.; Obeid, M.; Nguyen, C.; Bagheri Tagani, M.; Ghergherehchi, M.
Title	Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry A	Abbreviated Journal	J Mater Chem A
Volume	8	Issue	26	Pages	13248-13260
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	Motivated by the recent successful synthesis of the layered platinum mineral jacutingaite (Pt2HgSe3), we have studied the optoelectronic, mechanical, and thermoelectric properties of graphene hetero-multilayer on Pt(2)HgSe(3)monolayer (PHS) heterostructures (LG/PHS) by using first-principles calculations. PHS is a topological insulator with a band gap of about 160 meV with fully relativistic calculations; when graphene layers are stacked on PHS, a narrow band gap of similar to 10-15 meV opens. In the presence of gate-voltage and out-of plane strain,i.e.pressure, the electronic properties are modified; the Dirac-cone of graphene can be shifted upwards (downward) to a lower (higher) binding energy. The absorption spectrum shows two peaks, which are located around 216 nm (5.74 eV) and protracted to 490 nm (2.53 eV), indicating that PHS could absorb more visible light. Increasing the number of graphene layers on PHS has a positive impact on the UV-vis light absorption and gives a clear red-shift with enhanced absorption intensity. To investigate the electronic performance of the heterostructure, the electrical conductance and thermopower of a device composed of graphene layers and PHS is examined by a combination of DFT and Green function formalism. The number of graphene layers can significantly tune the thermopower and electrical conductance. This analysis reveals that the heterostructures not only significantly affect the electronic properties, but they can also be used as an efficient way to modulate the optic and thermoelectric properties.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000546391600032	Publication Date	2020-05-28
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.9	Times cited	20	Open Access
Notes	; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIT) (NRF-2017R1A2B2011989) and Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2019.05. ;			Approved	Most recent IF: 11.9; 2020 IF: 8.867
Call Number	UA @ admin @ c:irua:169755			Serial	6529
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Author	Liu, F.; Meng, J.; Xia, F.; Liu, Z.; Peng, H.; Sun, C.; Xu, L.; Van Tendeloo, G.; Mai, L.; Wu, J.
Title	Origin of the extra capacity in nitrogen-doped porous carbon nanofibers for high-performance potassium ion batteries			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry A	Abbreviated Journal	J Mater Chem A
Volume	8	Issue	35	Pages	18079-18086
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	While graphite has limited capacity as an anode material for potassium-ion batteries, nitrogen-doped carbon materials are more promising as extra capacity can usually be produced. However, the mechanism behind the origin of the extra capacity remains largely unclear. Here, the potassium storage mechanisms have been systematically studied in freestanding and porous N-doped carbon nanofibers with an additional similar to 100 mA h g(-1)discharge capacity at 0.1 A g(-1). The extra capacity is generated in the whole voltage window range from 0.01 to 2 V, which corresponds to both surface/interface K-ion absorptions due to the pyridinic N and pyrrolic N induced atomic vacancies and layer-by-layer intercalation due to the effects of graphitic N. As revealed by transmission electron microscopy, the N-doped samples have a clear and enhanced K-intercalation reaction. Theoretical calculations confirmed that the micropores with pyridinic N and pyrrolic N provide extra sites to form bonds with K, resulting in the extra capacity at high voltage. The chemical absorption of K-ions occurring inside the defective graphitic layer will prompt fast diffusion of K-ions and full realization of the intercalation capacity at low voltage. The approach of preparing N-doped carbon-based materials and the mechanism revealed by this work provide directions for the development of advanced materials for efficient energy storage.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000569873400015	Publication Date	2020-08-03
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.9	Times cited	2	Open Access	OpenAccess
Notes	; F. Liu and J. S. Meng contributed equally to this work. This work was supported by the National Natural Science Foundation of China (51832004 and 51521001), the National Key Research and Development Program of China (2016YFA0202603), and the Natural Science Foundation of Hubei Province (2019CFA001). The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX), the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and the State Key Laboratory of Silicate Materials for Architectures (all of the laboratories are at Wuhan University of Technology). ;			Approved	Most recent IF: 11.9; 2020 IF: 8.867
Call Number	UA @ admin @ c:irua:172741			Serial	6573
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Author	Sarikurt, S.; Kocabas, T.; Sevik, C.
Title	High-throughput computational screening of 2D materials for thermoelectrics			Type	A1 Journal article
Year	2020	Publication	Journal Of Materials Chemistry A	Abbreviated Journal	J Mater Chem A
Volume	8	Issue	37	Pages	19674-19683
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	High-performance thermoelectric materials are critical in recuperating the thermal losses in various machinery and promising in renewable energy applications. In this respect, the search for novel thermoelectric materials has attracted considerable attention. In particular, low dimensional materials have been proposed as potential candidates due to their unique and controllable thermal and electronic transport properties. The considerable potential of several two-dimensional materials as thermoelectric devices has already been uncovered and many new candidates that merit further research have been suggested. In this regard, we comprehensively investigate the thermoelectric coefficients and electronic fitness function (EFF) of a large family of structurally isotropic and anisotropic two-dimensional layered materials using density functional theory combined with semi-classical Boltzmann transport theory. With this high-throughput screening, we bring to light additional 2D crystals that haven't been previously classified as favorable TE materials. We predict that Pb2Se2, GeS2, As-2, NiS2, Hf2O6, Zr2O6, AsBrS, ISbTe, ISbSe, AsISe, and AsITe are promising isotropic thermoelectric materials due to their considerably high EFF values. In addition to these materials, Hf2Br4, Zr2Br4, Hf2Cl4, Zr2Cl4, Hf2O6, Zr(2)O(6)and Os(2)O(4)exhibit strong anisotropy and possess prominently high EFF values.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000573889000046	Publication Date	2020-08-31
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	11.9	Times cited		Open Access
Notes				Approved	Most recent IF: 11.9; 2020 IF: 8.867
Call Number	UA @ admin @ c:irua:193778			Serial	8039
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Author	Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H.
Title	Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO₂			Type	A1 Journal article
Year	2020	Publication	Journal Of Magnetism And Magnetic Materials	Abbreviated Journal	J Magn Magn Mater
Volume	493	Issue	493	Pages	165668
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000486397800003	Publication Date	2019-08-03
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0304-8853	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.7	Times cited	1	Open Access
Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ;			Approved	Most recent IF: 2.7; 2020 IF: 2.63
Call Number	UA @ admin @ c:irua:162755			Serial	6323
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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	Most recent IF: 2.2; 2020 IF: 1.958
Call Number	UA @ admin @ c:irua:173644			Serial	6925
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Author	Idrissi, H.; Samaee, V.; Lumbeeck, G.; Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P.
Title	In Situ Quantitative Tensile Testing of Antigorite in a Transmission Electron Microscope			Type	A1 Journal article
Year	2020	Publication	Journal Of Geophysical Research-Solid Earth	Abbreviated Journal	J Geophys Res-Sol Ea
Volume	125	Issue	3	Pages
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The determination of the mechanical properties of serpentinites is essential toward 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 evolving microstructure is imaged with the microscope. The experiments have been performed at room temperature on 2 × 1 × 0.2 μm3 beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that several grains were well oriented for plastic slip. However, no dislocation activity has been observed even though the engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit a purely elastic‐brittle behavior since, despite the presence of defects, the specimens accumulate permanent 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 these 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	000530895800023	Publication Date	2020-02-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2169-9313	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.9	Times cited		Open Access	OpenAccess
Notes	We thank S. Guillot for having kindly provided us with the two antigorite samples investigated in this study. We acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program under Grant Agreement 787198—TimeMan. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR‐FNRS). We acknowledge fruitful discussions with A. Baronnet. We thank J. Gasc and an anonymous reviewer for their critical comments. Data (movies of the three in situ deformation experiments) can be downloaded (from https://doi.org/10.5281/zenodo.3583135).			Approved	Most recent IF: 3.9; 2020 IF: 3.35
Call Number	EMAT @ emat @c:irua:167594			Serial	6355
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Author	Tian, F.; Wang, Y.; Sandhu, H.S.; Gielis, J.; Shi, P.
Title	Comparison of seed morphology of two ginkgo cultivars			Type	A1 Journal article
Year	2020	Publication	Journal Of Forestry Research	Abbreviated Journal	J Forestry Res
Volume	31	Issue	3	Pages	751-758
Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	Ginkgo biloba L. is a precious relic tree species with important economic value. Seeds, as a vital reproductive organ of plants, can be used to distinguish cultivars of the species. We chose 400 seeds from two cultivars of ginkgo (Fozhi and Maling; 200 seeds for each cultivar) as the study material and used the Gielis equation to fit the projected shape of these seeds. The coefficients of variation (CV) in root mean squared errors (RMSE) obtained from the fitted data were used to compare the level of inter-cultivar variations in seed shape. We also used the covariance analysis to compare the allometric relationships between seed weights and projected areas of these two cultivars. The Gielis equation fitted well the seed shapes of two ginkgo cultivars. The lower CV in RMSE of cultivar Fozhi than Maling indicated a less symmetrical seed shape in the latter than the former. The bootstrap percentile method showed that the seed shape differences between the two cultivars were significant. However, there was no significant difference in the exponents between the seed weights and the projected areas of these two cultivars. Overall, the significant differences in shapes between the seeds of two ginkgo cultivars were well explained by the Gielis equation; this model can be further extended to compare morphological differences in other ginkgo cultivars, and even for plant seeds or animal eggs that have similar oval shapes.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000529367600005	Publication Date	2018-07-28
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1007-662x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3	Times cited	3	Open Access
Notes	; ;			Approved	Most recent IF: 3; 2020 IF: 0.774
Call Number	UA @ admin @ c:irua:154987			Serial	6474
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Author	Borah, R.; Gupta, S.; Mishra, L.; Chhabra, R.P.
Title	Heating of liquid foods in cans: Effects of can geometry, orientation, and food rheology			Type	A1 Journal article
Year	2020	Publication	Journal Of Food Process Engineering	Abbreviated Journal	J Food Process Eng
Volume		Issue		Pages	e13420-24
Keywords	A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
Abstract	In this work, the effect of geometry and orientation of food cans on the heating characteristics of processed liquid foods and the resulting lethality target values as a function of the processing times have been investigated. For this purpose, the governing differential equations have been solved numerically for elliptical and cylindrical cans of varying aspect ratios in different orientations in order to delineate their effect on the heating rate (especially of the slowest heating zone [SHZ]) and lethality values over wide ranges of rheological features including shear thinning (n < 1), Newtonian (n = 1), and shear thickening (n > 1) behaviors. The flow and heat transfer characteristics were analyzed with the help of velocity vectors, isotherm contours, average Nusselt number, SHZ temperature and heat penetration parameters, and lethality target values. Also, comparisons were made in terms of the sterilization time and heat penetration parameters to identify the preferable geometries and orientations of food cans for effective heating of non-Newtonian foodstuffs. Finally, favorable conditions in terms of the shape and orientation of the can and the rheological properties have been delineated which lead to superior heating characteristics. Practical Applications Processed foodstuffs are produced in various forms ranging from that in solid, liquid, or as heterogeneous mixtures. Often such liquid and heterogeneous suspensions products are viscous non-Newtonian in character and their thermal processing (including pasteurization, sterilization, etc.) tends to be much more challenging than that of their Newtonian counterparts like air and water. This work explores heating of non-Newtonian liquid foodstuffs in cans of various shapes, geometries and in different orientations in the free convection regime. The results show that depending upon the rheological properties of the products, some orientations and/or geometries offer potential advantages in terms of shorter processing times and lethality values. This information can be of great potential in customizing the design of containers for different food products as well as of different rheological properties.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000526147100001	Publication Date	2020-04-17
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0145-8876	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3	Times cited	2	Open Access
Notes	; Science and Engineering Research Board, Department of Science and Technology, Government of India, New Delhi, Grant/Award Number: SB/S2/JCB-06/2014 ;			Approved	Most recent IF: 3; 2020 IF: 1.37
Call Number	UA @ admin @ c:irua:168539			Serial	6532
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Author	Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R.
Title	Assessing atmospheric dry deposition via water-soluble ionic composition of roadside leaves			Type	A1 Journal article
Year	2020	Publication	Journal of environmental science and health : part A: toxic/hazardous substances and environmental engineering	Abbreviated Journal
Volume		Issue		Pages	1-9
Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	This study focuses on the water-soluble ion concentrations in the washing solution of leaves of different roadside tree species at three sites in Iran to estimate the ionic composition of the dry deposition of ambient air particulates. All considered water-soluble ion concentrations were significantly higher next to the roads with high traffic density compared to the reference site with low traffic density. The PCA results showed that Ca2+, Mg2+, and originated mainly from traffic activities and geological sources, and Na+, Cl-, K+ and F- from sea salts. In addition to sea salt, K+ and F- were also originated from anthropogenic sources i.e. industrial activities, biomass burning and fluorite mining. Moreover, the concentration of the water-soluble ions depended on species and site. C. lawsoniana had significantly higher ion concentrations in its leaf washing solution compared to L. japonicum and P. brutia which indicates C. lawsoniana is the most suitable species for accumulating of atmospheric dry deposition. From our results, it can be concluded that sites with similar traffic density can have different particle loads and water-soluble ion species, and that concentrations in leaf-washing solutions depend on site conditions and species-specific leaf surface characteristics.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000527821700001	Publication Date	2020-04-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited		Open Access
Notes	; ;			Approved	Most recent IF: NA
Call Number	UA @ admin @ c:irua:169584			Serial	6451
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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	Most recent IF: 2.3; 2020 IF: 2.31
Call Number	UA @ admin @ c:irua:181195			Serial	8229
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Author	Van Oijstaeijen, W.; Van Passel, S.; Cools, J.
Title	Urban green infrastructure: A review on valuation toolkits from an urban planning perspective			Type	A1 Journal Article
Year	2020	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
Volume	267	Issue		Pages	110603
Keywords	A1 Journal Article; Engineering Management (ENM) ;
Abstract	As a response to increasing urbanization and changing weather and climatic patterns, urban green infrastructure (UGI) emerged as a concept to increase resilience within the urban boundaries. Given that implementing these (semi-) natural solutions in practice requires a clear overview of the costs and benefits, valuation becomes ever important. A range of decision-support tools for green infrastructure and ecosystem services exist, developed for various purposes. This paper reviews the potential of 10 shortlisted and existing valuation tools to support investment decisions of urban green infrastructure. In the assessment, the functionality is regarded specifically from the urban planning and decision-making viewpoint. The toolkits were evaluated on 12 different criteria. After analyzing the toolkits on these criteria, the findings are evaluated on the (mis)match with specific requirements in the urban planning and management context. Secondly, recommendations and guidelines are formulated to support the design of simple valuation tools, tailored to support the development of green infrastructure in urban areas. Approaching the valuation toolkits biophysically and (socio-)economically provides an integral overview of the challenges and opportunities of the capacities of each framework. It was found that most tools are not designed for the peculiarities of the urban context. Several elements contribute to the hampering uptake of GI valuation tools. Firstly, the limited effort in the economic case for green infrastructure remains a burden to use toolkits to compare grey and green alternatives. Secondly, tools are currently seldom designed for the peculiarities of cities: urban ecosystem (dis)services, multi-scalability, life-span assessments of co-benefits and the importance of social benefits. Thirdly, toolkits should be the result of co-development between the scientific community and local authorities in order to create toolkits that are tailor made to the specific needs in the urban planning process. It can be concluded that current tools, are not readily applicable to support decision making as such. However, if applied cautiously, they can have an indicative role to pinpoint further targeted and in-depth analyses.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000533525100040	Publication Date	2020-04-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	8.7	Times cited		Open Access
Notes	Nature Smart Cities across the 2 Seas is an Interreg 2 Seas co-funded project to the value of €6,380,472. It consists of a total of 11 Partners from 4 EU Member States, who will work together to develop a business model that local authorities can use to justify the use of ‘city finance’ to fund their urban greening programmes. This project has received funding from the Interreg 2 Seas programme 2014-2020 co-funded by the European Regional Development Fund under subsidy contract No 2S05-048.			Approved	Most recent IF: 8.7; 2020 IF: 4.01
Call Number	ENM @ enm @c:irua:169448			Serial	6384
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Author	Odin, G.P.; Belhadj, O.; Vanmeert, F.; Janssens, K.; Wattiaux, A.; Francois, A.; Rouchon, V.
Title	Study of the influence of water and oxygen on the morphology and chemistry of pyritized lignite: Implications for the development of a preventive drying protocol			Type	A1 Journal article
Year	2020	Publication	Journal Of Cultural Heritage	Abbreviated Journal	J Cult Herit
Volume	42	Issue		Pages	117-130
Keywords	A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	Lignite constitutes a unique testimony of past diversity and evolution of land plants. This material, usually waterlogged, is particularly difficult to dry because of its mechanical sensitivity to moisture changes. In addition, lignite may contain organic and inorganic sulfides, which are susceptible to oxidation once excavated. As a result, the conservation of lignite is particularly complicated and lignite remains scarce in paleobotanical collections. We experimentally test different drying protocols on waterlogged pyritized lignite, while documenting the respective role of water and oxygen on their morphology and chemistry. The results reveal that inorganic sulfides (pyrite) are more prone to oxidation than organic sulfides (thioethers). Critically, water is the main factor responsible for this oxidation, provoking sulfate efflorescence when samples are further exposed to oxygen. On the other hand, an abrupt removal of water provokes significant mechanical damage while sulfur remains mostly present as reduced compounds. The control of water and oxygen exchanges is thus critical for conserving lignite without physical damage and efflorescence. We successfully achieved this by storing the samples in hermetically sealed plastic bags made of semi-permeable films, which slowly release humidity while allowing a gradual influx of oxygen. We advise curators to quickly handle lignite once removed from its waterlogged environment because of the fast kinetics of oxidation, and to choose a drying protocol according to the purpose of the lignite treated. Finally, once dried, we advise to store the lignite in an anhydrous environment. (C) 2019 Elsevier Masson SAS. All rights reserved.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000525864000013	Publication Date	2019-09-07
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1296-2074	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.1	Times cited		Open Access
Notes	; This research was funded by a doctoral school grant from the Museum National d'Histoire Naturelle (Paris, France) and a post-doctoral grant from SU (Paris, France; Convergence program, ACOPAL project). We thank SOLEIL for provision of synchrotron radiation facilities (proposals 20130462and 0110189). We are grateful to Ronan Allain, Renaud Vacant and Dario de Franceschi for access to excavation sites and fruitful discussions, to the LUCIA beamline staff (D.Vantelon, N.Trcera, P.Lagarde, A.-M.Flank) and the AGLAE team (Quentin Lemasson, Brice Moignard, Claire Pacheco and Laurent Pichon) for support during allocated beamtime. We acknowledge the ICMCB (Bordeaux, France) and the ISA (Villeurbanne, France) for elemental quantifications. Finally, we thank two anonymous reviewers who helped to improve a previous version of the manuscript. ;			Approved	Most recent IF: 3.1; 2020 IF: 1.838
Call Number	UA @ admin @ c:irua:168651			Serial	6619
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Author	Alvarez-Martin, A.; McHugh, K.; Martin, C.; Kavich, G.; Kaczkowski, R.
Title	Understanding air-tight case environments at the National Museum of the American Indian (Smithsonian Institution) by SPME-GC-MS analysis			Type	A1 Journal article
Year	2020	Publication	Journal Of Cultural Heritage	Abbreviated Journal	J Cult Herit
Volume	44	Issue		Pages	38-46
Keywords	A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract	Some volatile organic compounds (VOCs), generated and accumulated in exhibition cases, are capable of inducing degradation in historical artifacts. In this context, it is of special importance to distinguish between VOCs emitted by the construction materials and/or the historical objects, with the ultimate goal of proposing an appropriate mitigation strategy. To pursue this goal, a comprehensive analysis based on solid phase microextraction (SPME) coupled to gas chromatography-mass spectrometry (GC-MS) has been optimized. The sampling setup used in this study does not require any modification of the exhibition design, and the testing remained nearly invisible and unobtrusive to museum visitors. This methodology has been applied to an issue encountered at the National Museum of the American Indian (Smithsonian Institution), where an unpleasant smell was detected in airtight exhibition cases already on display containing sensitive historical objects. The analysis of the volatiles emitted by construction materials allowed for identification of characteristic markers emitted by each material, and the ability to identify their overall contribution in the exhibition case. Via this method, SPME-GC-MS confirmed via the detection of some specific markers that the unpleasant smell was released by one of the construction materials and had accumulated in the exhibition case. In addition, due to the measurements taken in different positions around the exhibition cases, results were useful to point out the range of efficiency of the sorbent material placed in some of the exhibition cases as a first attempt of mitigation technique. (C) 2020 Elsevier Masson SAS. All rights reserved.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000560473700004	Publication Date	2020-02-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1296-2074	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.1	Times cited		Open Access
Notes				Approved	Most recent IF: 3.1; 2020 IF: 1.838
Call Number	UA @ admin @ c:irua:181927			Serial	8706
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Author	Trenchev, G.; Bogaerts, A.
Title	Dual-vortex plasmatron: A novel plasma source for CO2 conversion			Type	A1 Journal article
Year	2020	Publication	Journal Of Co2 Utilization	Abbreviated Journal	J Co2 Util
Volume	39	Issue		Pages	101152
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Atmospheric pressure gliding arc (GA) discharges are gaining increasing interest for CO2 conversion and other gas conversion applications, due to their simplicity and high energy eﬃciency. However, they are characterized by some drawbacks, such as non-uniform gas treatment, limiting the conversion, as well as the development of a hot cathode spot, resulting in severe electrode degradation. In this work, we built a dual-vortex plasmatron, which is a GA plasma reactor with innovative electrode conﬁguration, to solve the above problems. The design aims to improve the CO2 conversion capability of the GA reactor by elongating the arc in two directions, to increase the residence time of the gas inside the arc, and to actively cool the cathode spot by rotation of the arc and gas convection. The measured CO2 conversion and corresponding energy eﬃciency indeed look very promising. In addition, we developed a ﬂuid dynamics non-thermal plasma model with argon chemistry, to study the arc behavior in the reactor and to explain the experimental results.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000546648400008	Publication Date	2020-03-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2212-9820	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	7.7	Times cited		Open Access
Notes	Fund for Scientific Research – Flanders, G.0383.16N 11U53.16N ; Hercules Foundation, the Flemish Government; UAntwerpen; We acknowledge ﬁnancial support from the Fund for Scientiﬁc Research – Flanders (FWO); grant numbers G.0383.16N and 11U53.16N. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen. We would also like to thank G. Van Loon from the University of Antwerp for building the DVP reactor.			Approved	Most recent IF: 7.7; 2020 IF: 4.292
Call Number	PLASMANT @ plasmant @c:irua:167593			Serial	6356
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