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	Author	Bollen, E.; Pagan, B.R.; Kuijpers, B.; Van Hoey, S.; Desmet, N.; Hendrix, R.; Dams, J.; Seuntjens, P.
	Title	A database system for querying of river networks : facilitating monitoring and prediction applications			Type	A1 Journal article
	Year	2021	Publication	Water Science And Technology-Water Supply	Abbreviated Journal	Water Sci Tech-W Sup
	Volume		Issue		Pages
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The increasing availability of real-time in situ measurements and remote sensing observations have the potential to contribute to the optimization of water resources management. Global challenges such as climate change, intensive agriculture and urbanization put a high pressure on our water resources. Due to recent innovations in measuring both water quantity and quality, river systems can now be monitored in real time at an unprecedented spatial and temporal scale. To interpret the sensor measurements and remote sensing observations additional data for example on: the location of the measurement, upstream and downstream catchment characteristics, horizontal ellipsis are required. In this paper, we present a data management system to support flow-path related functionality for decision making and prediction modelling. Adding meta data sets and facilitating (near) real-time processing of sensor data questions are key concepts for the systems. The potential of the database framework for hydrological applications is demonstrated using different applications for the river system of Flanders. In one, the database framework is used to simulate the daily discharge for each segment within a catchment using a simple data-driven approach. The presented system is useful for numerous applications including pollution tracking, alerting and inter-sensor validation in river systems, or related networks.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000729755100001	Publication Date	2021-12-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1606-9749	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	0.573	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 0.573
	Call Number	UA @ admin @ c:irua:184814			Serial	7387
Permanent link to this record



	Author	Penders, A.; Konstantinovic, M.J.; Van Renterghem, W.; Bosch, R.W.; Schryvers, D.
	Title	TEM investigation of SCC crack tips in high Si stainless steel tapered specimens			Type	A1 Journal article
	Year	2021	Publication	Corrosion Engineering Science And Technology	Abbreviated Journal	Corros Eng Sci Techn
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The stress corrosion cracking (SCC) mechanism is investigated in high Si duplex stainless steel in a simulated PWR environment based on TEM analysis of FIB-extracted SCC crack tips. The microstructural investigation in the near vicinity of SCC crack tips illustrates a strain-rate dependence in SCC mechanisms. Detailed analysis of the crack tip morphology, that includes crack tip oxidation and surrounding deformation field, indicates the existence of an interplay between corrosion- and deformation-driven failure as a function of the strain rate. Slow strain-rate crack tips exhibit a narrow cleavage failure which can be linked to the film-induced failure mechanism, while rounded shaped crack tips for faster strain rates could be related to the strain-induced failure. As a result, two nominal strain-rate-dependent failure regimes dominated either by corrosion or deformation-driven cracking mechanisms can be distinguished.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000695956400001	Publication Date	2021-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-422x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.879	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 0.879
	Call Number	UA @ admin @ c:irua:181533			Serial	6892
Permanent link to this record



	Author	Gezahegn, T.W.; Van Passel, S.; Berhanu, T.; D'Haese, M.; Maertens, M.
	Title	Structural and institutional heterogeneity among agricultural cooperatives in Ethiopia : does it matter for farmers' welfare?			Type	A1 Journal article
	Year	2021	Publication	Journal Of Agricultural And Resource Economics	Abbreviated Journal	J Agr Resour Econ
	Volume	46	Issue	2	Pages	325-342
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	This paper analyzes how structural and institutional heterogeneity among irrigation cooperatives shapes the impact of membership on farmers' welfare in northern Ethiopia, using a novel heteroskedasticity-based identification strategy. More specifically, we estimate how cooperative characteristics influence members' income and poverty level. We find that stricter water use regulations have income-enhancing and poverty-reducing effects for farmers. We also find that farmers benefit more from membership in larger, younger, and bottom-up cooperatives initiated through grassroots collective action. Our findings have implications for irrigation development in Ethiopia and call for a better deliberation of organizational heterogeneity in cooperative impact studies
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000656121100010	Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1068-5502; 2327-8285	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1
	Call Number	UA @ admin @ c:irua:179190			Serial	6945
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	Author	Pietanza, L.D.; Guaitella, O.; Aquilanti, V.; Armenise, I.; Bogaerts, A.; Capitelli, M.; Colonna, G.; Guerra, V.; Engeln, R.; Kustova, E.; Lombardi, A.; Palazzetti, F.; Silva, T.
	Title	Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review			Type	A1 Journal Article
	Year	2021	Publication	European Physical Journal D	Abbreviated Journal	Eur Phys J D
	Volume	75	Issue	9	Pages	237
	Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	Numerous applications have required the study of CO2 plasmas since the 1960s, from CO2 lasers to spacecraft heat shields. However, in recent years, intense research activities on the subject have restarted because of environmental problems associated with CO2 emissions. The present review provides a synthesis of the current state of knowledge on the physical chemistry of cold CO2 plasmas. In particular, the diﬀerent modeling approaches implemented to address speciﬁc aspects of CO2 plasmas are presented. Throughout the paper, the importance of conducting joint experimental, theoretical and modeling studies to elucidate the complex couplings at play in CO2 plasmas is emphasized. Therefore, the experimental data that are likely to bring relevant constraints to the diﬀerent modeling approaches are ﬁrst reviewed. Second, the calculation of some key elementary processes obtained with semi-empirical, classical and quantum methods is presented. In order to describe the electron kinetics, the latest coherent sets of cross section satisfying the constraints of “electron swarm” analyses are introduced, and the need for self-consistent calculations for determining accurate electron energy distribution function (EEDF) is evidenced. The main ﬁndings of the latest zero-dimensional (0D) global models about the complex chemistry of CO2 and its dissociation products in diﬀerent plasma discharges are then given, and full state-to-state (STS) models of only the vibrational-dissociation kinetics developed for studies of spacecraft shields are described. Finally, two important points for all applications using CO2 containing plasma are discussed: the role of surfaces in contact with the plasma, and the need for 2D/3D models to capture the main features of complex reactor geometries including eﬀects induced by ﬂuid dynamics on the plasma properties. In addition to bringing together the latest advances in the description of CO2 non-equilibrium plasmas, the results presented here also highlight the fundamental data that are still missing and the possible routes that still need to be investigated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000692394800001	Publication Date	2021-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6060	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.288	Times cited		Open Access	OpenAccess
	Notes	Russian Science Foundation, project 19-11-00041 ; Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; H2020 Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 and UIDP/50010/2020 UIDB/50010/2020 and UIDP/50010/2020 ; Università degli Studi di Perugia, AMIS project (Dipartimenti di Eccellenza-2018-2022) Dipartimento di Chimica, Biologia e Biotecnologie (Fondo Ricerca di Base 2019 program)) ; agenzia spaziale italiana, ASI N. 2019-3-U.0 ; The work of Kustova is supported by the Russian Science Foundation, project 19-11-00041. The work of Guerra, Bogaerts, Engeln and Guaitella has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie SklodowskaCurie grant agreement No 813393, Guerra and Silva were partially funded by the Portuguese FCT – Fundação para			Approved	Most recent IF: 1.288
	Call Number	PLASMANT @ plasmant @c:irua:181081			Serial	6809
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	Author	Hasnat, A.
	Title	Performance optimization of the nano-sized pick-up loop of a dc-SQUID			Type	A1 Journal article
	Year	2021	Publication	Physica C-Superconductivity And Its Applications	Abbreviated Journal	Physica C
	Volume	583	Issue		Pages	1353852
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A flux transformer, consisting of a superconducting primary loop (pick-up loop) in series with a superconducting secondary loop on which measurement is done, is considered to optimize the approach and sensitivity of the Superconducting QUantum Interference Device (SQUID). Performance of such a pick-up loop placed above a magnetic particle is investigated using the numerical Ginzburg-Landau (GL) simulations. By solving 3D GL equations, static properties of the device such as the distribution of Cooper-pair density and the screening current in the secondary coil have been investigated as a function of the dimensions of the primary loop. Dynamic properties, such as current-voltage characteristics and flux-dependent critical current of the device have also been addressed, all leading to conclusion that smaller size pick-up loop is the first requirement for its optimal sensitivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000636420000010	Publication Date	2021-03-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.404
	Call Number	UA @ admin @ c:irua:177725			Serial	7008
Permanent link to this record



	Author	Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M.
	Title	Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal			Type	A1 Journal article
	Year	2021	Publication	Radiation Measurements	Abbreviated Journal	Radiat Meas
	Volume	142	Issue		Pages	106564
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000639160300003	Publication Date	2021-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1350-4487	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.442	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.442
	Call Number	UA @ admin @ c:irua:178307			Serial	8265
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	Author	Quintelier, M.; Perkisas, T.; Poppe, R.; Batuk, M.; Hendrickx, M.; Hadermann, J.
	Title	Determination of spinel content in cycled Li_1.2Ni_0.13Mn_0.54Co_0.13O₂ using three-dimensional electron diffraction and precession electron diffraction			Type	A1 Journal article
	Year	2021	Publication	Symmetry-Basel	Abbreviated Journal	Symmetry-Basel
	Volume	13	Issue	11	Pages	1989-17
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
	Abstract	Among lithium battery cathode materials, Li1.2Ni0.13Mn0.54Co0.13O2 (LR-NMC) has a high theoretical capacity, but suffers from voltage and capacity fade during cycling. This is partially ascribed to transition metal cation migration, which involves the local transformation of the honeycomb layered structure to spinel-like nano-domains. Determination of the honeycomb layered/spinel phase ratio from powder X-ray diffraction data is hindered by the nanoscale of the functional material and the domains, diverse types of twinning, stacking faults, and the possible presence of the rock salt phase. Determining the phase ratio from transmission electron microscopy imaging can only be done for thin regions near the surfaces of the crystals, and the intense beam that is needed for imaging induces the same transformation to spinel as cycling does. In this article, it is demonstrated that the low electron dose sufficient for electron diffraction allows the collection of data without inducing a phase transformation. Using calculated electron diffraction patterns, we demonstrate that it is possible to determine the volume ratio of the different phases in the particles using a pair-wise comparison of the intensities of the reflections. Using this method, the volume ratio of spinel structure to honeycomb layered structure is determined for a submicron sized crystal from experimental three-dimensional electron diffraction (3D ED) and precession electron diffraction (PED) data. Both twinning and the possible presence of the rock salt phase are taken into account. After 150 charge-discharge cycles, 4% of the volume in LR-NMC particles was transformed irreversibly from the honeycomb layered structure to the spinel structure. The proposed method would be applicable to other multi-phase materials as well.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000815310500001	Publication Date	2021-10-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2073-8994	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.457	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.457
	Call Number	UA @ admin @ c:irua:189468			Serial	7080
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	Author	Tessema, G.A.; van der Borg, J.; Minale, A.S.; Van Rompaey, A.; Adgo, E.; Nyssen, J.; Asrese, K.; Van Passel, S.; Poesen, J.
	Title	Inventory and assessment of geosites for geotourism development in the eastern and southeastern Lake Tana Region, Ethiopia			Type	A1 Journal article
	Year	2021	Publication	Geoheritage	Abbreviated Journal	Geoheritage
	Volume	13	Issue	2	Pages	43
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Geotourism is a niche form of sustainable tourism that focuses on the geological and geomorphological features of an area, and the associated culture and biodiversity. Geosites are important resources for geotourism development. The eastern and southeastern Lake Tana region in Ethiopia has several geosites with a potential for geotourism development. Despite the diversity of potential geosites and the strategic location of the area in the Northern Tourist Circuit of Ethiopia, only a few attractions such as Lake Tana and the Blue Nile Falls are currently being visited. The objective of this paper is twofold: to inventory geosites in the eastern and southeastern Lake Tana region and assess their potential for geotourism development; and to propose a geosite inventory and assessment methodology for geotourism purposes with adaptations from previous studies. Several studies were reviewed and finally nine of them used as the main references to prepare the criteria, indicators, and sub-indicators for this study. The indicators used for assessing the potential of geosites relate to scientific, educational, scenic, recreational, protection, functional, and ecological values. This research presents the first inventory of geosites in the Lake Tana basin. A first list of 120 geosites has been inventoried. Further screening and clustering resulted in 61 geosites, of which 17 are viewpoints. Among the major geosites are waterfalls, a lake with islands and island monasteries, a flood plain, caves and cave churches, lava tubes, a mountain (shield volcano), volcanic plugs, volcanic cones, rock-hewn churches, and viewpoints. Quantitative assessment of the geotouristic potential of these geosites revealed that clustered (complex area) geosites received higher scientific, scenic, and recreational value scores.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000646574000002	Publication Date	2021-05-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1867-2477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.472	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.472
	Call Number	UA @ admin @ c:irua:178962			Serial	6933
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	Author	Shi, R.; Choudhuri, D.; Kashiwar, A.; Dasari, S.; Wang, Y.; Banerjee, R.; Banerjee, D.
	Title	α phase growth and branching in titanium alloys			Type	A1 Journal article
	Year	2021	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The morphology and spatial distribution of alpha (α) precipitates have been mapped as a function of Mo content in Ti-Mo binary alloys employing a combinatorial approach. Heat-treatments were carried out on compositionally graded Ti-xMo samples processed using a rapid throughput laser engineered net shape (LENS) process. The composition space spans 1.5 at% to 6 at% Mo with ageing at 750°C, 650°C and 600°C following a β solution treatment. Three distinct regimes of α morphology and distribution were observed. These are colony-dominated microstructures originating from grain boundary α allotriomorphs, bundles of intragranular α laths, and homogeneously distributed individual fine-scale α laths. Branching of the α precipitates was observed in all these domains in a manner reminiscent of solid-state dendritic growth. The phenomenon is particularly apparent at low volume fractions of α. Similar features are present in a wide variety of alloy compositions. 3-dimensional features of such branched structures have been analysed. Simulation of the branching process by phase field methods incorporating anisotropy in the α/β interface energy and elasticity suggests that it can be initiated at growth ledges present at broad faces of the α laths, driven by the enhancement of the diffusion flux at these steps. The dependence of branching on various parameters such as supersaturation and diffusivity, and microstructural features like ledge height and distribution and the presence of adjacent α variants has been evaluated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000722082700001	Publication Date	2021-11-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.505	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.505
	Call Number	UA @ admin @ c:irua:183616			Serial	6849
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	Author	Berdiyorov, G.R.; Khalilov, U.; Hamoudi, H.; Neyts, E.C.
	Title	Effect of chemical modification on electronic transport properties of carbyne			Type	A1 Journal article
	Year	2021	Publication	Journal Of Computational Electronics	Abbreviated Journal	J Comput Electron
	Volume		Issue		Pages
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Using density functional theory in combination with the Green’s functional formalism, we study the effect of surface functionalization on the electronic transport properties of 1D carbon allotrope—carbyne. We found that both hydrogenation and fluorination result in structural changes and semiconducting to metallic transition. Consequently, the current in the functionalization systems increases significantly due to strong delocalization of electronic states along the carbon chain. We also study the electronic transport in partially hydrogenated carbyne and interface structures consisting of pristine and functionalized carbyne. In the latter case, current rectification is obtained in the system with rectification ratio up to 50%. These findings can be useful for developing carbyne-based structures with tunable electronic transport properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000617664900001	Publication Date	2021-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1569-8025	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.526	Times cited		Open Access	OpenAccess
	Notes	Computational resources were provided by the research computing facilities of Qatar Environment and Energy Research Institute. Calculations are also conducted using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. U. Khalilov gratefully acknowledges financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant number 12M1315N.			Approved	Most recent IF: 1.526
	Call Number	PLASMANT @ plasmant @c:irua:176169			Serial	6708
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	Author	Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D.
	Title	First-principles study of defects at Σ3 grain boundaries in CuGaSe2			Type	A1 Journal article
	Year	2021	Publication	Solid State Communications	Abbreviated Journal	Solid State Commun
	Volume		Issue		Pages	114263
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
	Abstract	We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000652668500013	Publication Date	2021-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	1	Open Access	OpenAccess
	Notes	Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI.			Approved	Most recent IF: 1.554
	Call Number	EMAT @ emat @c:irua:176544			Serial	6703
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	Author	Chaves, A.; Peeters, F.M.
	Title	Tunable effective masses of magneto-excitons in two-dimensional materials			Type	A1 Journal article
	Year	2021	Publication	Solid State Communications	Abbreviated Journal	Solid State Commun
	Volume	334	Issue		Pages	114371
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000670329600003	Publication Date	2021-05-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.554	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.554
	Call Number	UA @ admin @ c:irua:179762			Serial	7037
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	Author	Kadu, A.; van Leeuwen, T.; Batenburg, K.J.
	Title	CoShaRP : a convex program for single-shot tomographic shape sensing			Type	A1 Journal article
	Year	2021	Publication	Inverse Problems	Abbreviated Journal	Inverse Probl
	Volume	37	Issue	10	Pages	105005
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We introduce single-shot x-ray tomography that aims to estimate the target image from a single cone-beam projection measurement. This linear inverse problem is extremely under-determined since the measurements are far fewer than the number of unknowns. Moreover, it is more challenging than conventional tomography, where a sufficiently large number of projection angles forms the measurements, allowing for a simple inversion process. However, single-shot tomography becomes less severe if the target image is only composed of known shapes. This paper restricts analysis to target image function that can be decomposed into known compactly supported non-negative-valued functions termed shapes. Hence, the shape prior transforms a linear ill-posed image estimation problem to a non-linear problem of estimating the roto-translations of the shapes. We circumvent the non-linearity by using a dictionary of possible roto-translations of the shapes. We propose a convex program CoShaRP, to recover the dictionary coefficients successfully. CoShaRP relies on simplex-type constraints and can be solved quickly using a primal-dual algorithm. The numerical experiments show that CoShaRP recovers shape stably from moderately noisy measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000691743700001	Publication Date	2021-07-23
	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	1.62	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.62
	Call Number	UA @ admin @ c:irua:181617			Serial	6859
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	Author	Kaushik, N.K.; Bekeschus, S.; Tanaka, H.; Lin, A.; Choi, E.H.
	Title	Plasma medicine technologies			Type	Editorial
	Year	2021	Publication	Applied Sciences-Basel	Abbreviated Journal	Appl Sci-Basel
	Volume	11	Issue	10	Pages	4584-4
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	This Special Issue, entitled “Plasma Medicine Technologies”, covers the latest remarkable developments in the field of plasma bioscience and medicine. Plasma medicine is an interdisciplinary field that combines the principles of plasma physics, material science, bioscience, and medicine, towards the development of therapeutic strategies. A study on plasma medicine has yielded the development of new treatment opportunities in medical and dental sciences. An important aspect of this issue is the presentation of research underlying new therapeutic methods that are useful in medicine, dentistry, sterilization, and, in the current scenario, that challenge perspectives in biomedical sciences. This issue is focused on basic research on the characterization of the bioplasma sources applicable to living cells, especially to the human body, and fundamental research on the mutual interactions between bioplasma and organic–inorganic liquids, and bio or nanomaterials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000662527200001	Publication Date	2021-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2076-3417	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.679	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.679
	Call Number	UA @ admin @ c:irua:178139			Serial	6771
Permanent link to this record



	Author	Jannis, D.; Müller-Caspary, K.; Béché, A.; Verbeeck, J.
	Title	Coincidence Detection of EELS and EDX Spectral Events in the Electron Microscope			Type	A1 Journal article
	Year	2021	Publication	Applied Sciences-Basel	Abbreviated Journal	Appl Sci-Basel
	Volume	11	Issue	19	Pages	9058
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Recent advances in the development of electron and X-ray detectors have opened up the possibility to detect single events from which its time of arrival can be determined with nanosecond resolution. This allows observing time correlations between electrons and X-rays in the transmission electron microscope. In this work, a novel setup is described which measures individual events using a silicon drift detector and digital pulse processor for the X-rays and a Timepix3 detector for the electrons. This setup enables recording time correlation between both event streams while at the same time preserving the complete conventional electron energy loss (EELS) and energy dispersive X-ray (EDX) signal. We show that the added coincidence information improves the sensitivity for detecting trace elements in a matrix as compared to conventional EELS and EDX. Furthermore, the method allows the determination of the collection efficiencies without the use of a reference sample and can subtract the background signal for EELS and EDX without any prior knowledge of the background shape and without pre-edge fitting region. We discuss limitations in time resolution arising due to specificities of the silicon drift detector and discuss ways to further improve this aspect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000710160300001	Publication Date	2021-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2076-3417	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.679	Times cited	9	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G042920 ; Horizon 2020 Framework Programme, 101017720 ; Helmholtz-Fonds, VH-NG-1317 ;			Approved	Most recent IF: 1.679
	Call Number	EMAT @ emat @c:irua:183336			Serial	6821
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	Author	Winterstetter, A.; Grodent, M.; Kini, V.; Ragaert, K.; Vrancken, K.C.M.
	Title	A review of technological solutions to prevent or reduce marine plastic litter in developing countries			Type	A1 Journal article
	Year	2021	Publication	Sustainability	Abbreviated Journal	Sustainability-Basel
	Volume	13	Issue	9	Pages	4894
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Growing global plastic production combined with poor waste collection has led to increasing amounts of plastic debris being found in oceans, rivers and on shores. The goal of this study is to provide an overview on currently available technological solutions to tackle marine plastic litter and to assess their potential use in developing countries. To compile an inventory of technological solutions, a dedicated online platform was developed. A total of 51 out of initially 75 submitted solutions along the plastics value chain were assessed by independent experts. Collection systems represent more than half of the shortlisted solutions. A quarter include processing and treatment technologies, either as a stand-alone solution (30%) or, more commonly, in combination with a first litter capturing step. Ten percent offer digital solutions. The rest focuses on integrated waste management solutions. For each stage in the source-to-sea spectrum-land, rivers, sea-two illustrative examples are described in detail. This study concludes that the most cost-effective type of solution tackles land-based sources of marine litter and combines technology with people-oriented practices, runs on own energy sources, connects throughout the plastics value chain with a convincing valorization plan for captured debris, and involves all relevant stakeholders.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000650920900001	Publication Date	2021-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2071-1050	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.789	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.789
	Call Number	UA @ admin @ c:irua:178368			Serial	7396
Permanent link to this record



	Author	Maes, R.R.; Potters, G.; Fransen, E.; Cayetano, F.C.; Van Schaeren, R.; Lenaerts, S.
	Title	Finding the optimal fatty acid composition for biodiesel improving the emissions of a one-cylinder diesel generator			Type	A1 Journal article
	Year	2021	Publication	Sustainability	Abbreviated Journal	Sustainability-Basel
	Volume	13	Issue	21	Pages	12089
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Nitrogen oxides (NOx) and particulate matter (PM) currently are the main pollutants emitted by diesel engines. While there is a start in using hybrid and electric cars, ships will still be fueled by mineral oil products. In the quest to achieve zero-pollution and carbon-free shipping, alternative forms of energy carriers must be found to replace the commonly used mineral oil products. One of the possible alternative fuels is biodiesel. This paper explores the optimization of the composition of biodiesel in order to reduce the concentration of particulate matter and NOx in exhaust gases of a one-cylinder diesel generator.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000719122800001	Publication Date	2021-11-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2071-1050	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.789	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.789
	Call Number	UA @ admin @ c:irua:184041			Serial	7969
Permanent link to this record



	Author	Oliveira, M.C.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A.
	Title	Unraveling the permeation of reactive species across nitrated membranes by computer simulations			Type	A1 Journal Article;Reactive oxygen and nitrogen species
	Year	2021	Publication	Computers In Biology And Medicine	Abbreviated Journal	Comput Biol Med
	Volume	136	Issue		Pages	104768
	Keywords	A1 Journal Article;Reactive oxygen and nitrogen species; Nitro-oxidative stress; Molecular dynamics simulations; Nitrated membranes; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	Reactive oxygen and nitrogen species (RONS) are involved in many biochemical processes, including nitrooxidative stress that causes cancer cell death, observed in cancer therapies such as photodynamic therapy and cold atmospheric plasma. However, their mechanisms of action and selectivity still remain elusive due to the complexity of biological cells. For example, it is not well known how RONS generated by cancer therapies permeate the cell membrane to cause nitro-oxidative damage. There are many studies dedicated to the permeation of RONS across native and oxidized membranes, but not across nitrated membranes, another lipid product also generated during nitro-oxidative stress. Herein, we performed molecular dynamics (MD) simulations to calculate the free energy barrier of RONS permeation across nitrated membranes. Our results show that hydrophilic RONS, such as hydroperoxyl radical (HO2) and peroxynitrous acid (ONOOH), have relatively low barriers compared to hydrogen peroxide (H2O2) and hydroxyl radical (HO), and are more prone to permeate the membrane than for the native or peroxidized membranes, and similar to aldehyde-oxidized membranes. Hydrophobic RONS like molecular oxygen (O2), nitrogen dioxide (NO2) and nitric oxide (NO) even have insignificant barriers for permeation. Compared to native and peroxidized membranes, nitrated membranes are more permeable, suggesting that we must not only consider oxidized membranes during nitro-oxidative stress, but also nitrated membranes, and their role in cancer therapies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000696938800003	Publication Date	2021-08-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010-4825	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.836	Times cited		Open Access	OpenAccess
	Notes	We thank University of Antwerp and Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted and for providing the computational resources needed for completion of this work. M. Yusupov acknowledges the Flanders Research Foundation (grant 1200219N) for financial support.			Approved	Most recent IF: 1.836
	Call Number	PLASMANT @ plasmant @c:irua:181082			Serial	6807
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	Author	Akamine, H.; Mitsuhara, M.; Nishida, M.; Samaee, V.; Schryvers, D.; Tsukamoto, G.; Kunieda, T.; Fujii, H.
	Title	Precipitation behaviors in Ti-2.3 Wt Pct Cu alloy during isothermal and two-step aging			Type	A1 Journal article
	Year	2021	Publication	Metallurgical And Materials Transactions A-Physical Metallurgy And Materials Science	Abbreviated Journal	Metall Mater Trans A
	Volume	52	Issue		Pages	2760-2772
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Time evolution of precipitates related to age-hardening in Ti-2.3 wt pct Cu alloys was investigated by electron microscopy. In isothermal aging at 723 K, the hardness increases continuously owing to precipitation strengthening, whereas in two-step aging where the aging temperature is switched from 673 K to 873 K after 100 hours, the hardness is found to drastically drop after the aging temperature switches. In isothermal aging, metastable and stable precipitates are independently nucleated, whereas characteristic V-shaped clusters of precipitates are observed during the two-step aging. It is revealed by atomic-scale observations that the V-shaped clusters are composed of metastable and stable precipitates and each type of precipitate has a different orientation relationship with the alpha phase: (10 (3) over bar)//(0001)(alpha) and [0 (1) over bar0]//respectively. The drop in hardness during two-step aging can be explained by a synergistic effect of decreased precipitation strengthening and solid solution strengthening. (C) The Minerals, Metals & Materials Society and ASM International 2021
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000644823000001	Publication Date	2021-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1073-5623	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.874	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.874
	Call Number	UA @ admin @ c:irua:178222			Serial	6786
Permanent link to this record



	Author	MacArthur, K.E.; Yankovich, A.B.; Béché, A.; Luysberg, M.; Brown, H.G.; Findlay, S.D.; Heggen, M.; Allen, L.J.
	Title	Optimizing Experimental Conditions for Accurate Quantitative Energy-Dispersive X-ray Analysis of Interfaces at the Atomic Scale			Type	A1 Journal article
	Year	2021	Publication	Microscopy And Microanalysis	Abbreviated Journal	Microsc Microanal
	Volume		Issue		Pages	1-15
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The invention of silicon drift detectors has resulted in an unprecedented improvement in detection efficiency for energy-dispersive X-ray (EDX) spectroscopy in the scanning transmission electron microscope. The result is numerous beautiful atomic-scale maps, which provide insights into the internal structure of a variety of materials. However, the task still remains to understand exactly where the X-ray signal comes from and how accurately it can be quantified. Unfortunately, when crystals are aligned with a low-order zone axis parallel to the incident beam direction, as is necessary for atomic-resolution imaging, the electron beam channels. When the beam becomes localized in this way, the relationship between the concentration of a particular element and its spectroscopic X-ray signal is generally nonlinear. Here, we discuss the combined effect of both spatial integration and sample tilt for ameliorating the effects of channeling and improving the accuracy of EDX quantification. Both simulations and experimental results will be presented for a perovskite-based oxide interface. We examine how the scattering and spreading of the electron beam can lead to erroneous interpretation of interface compositions, and what approaches can be made to improve our understanding of the underlying atomic structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000664532400007	Publication Date	2021-04-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited		Open Access	OpenAccess
	Notes	The authors would like to thank Jürgen Schubert for helping to supply the sample and valuable discussions on the topic. K. E. MacArthur and M. Heggen acknowledge the Helmholtz Funding agency and the DFG (grant number HE 7192/1-2) for their financial support of this work. L. J. Allen acknowledges the support of the Alexander von Humboldt Foundation. This research was supported under the Discovery Projects funding scheme of the Australian Research Council (Projects DP140102538 and FT190100619). K.E. MacArthur, A.B. Yankovich and A. Béché acknowledge support from the European Union’s Horizon 2020 research innovation program under grant agreement No. 823717 – ESTEEM3. A.B. Yankovich also acknowledges support from the Materials Science Area of Advance at Chalmers and the Swedish Research Council (VR, under grant No: 2020-04986).; esteem3TA; esteem3reported			Approved	Most recent IF: 1.891
	Call Number	EMAT @ emat @c:irua:178129			Serial	6760
Permanent link to this record



	Author	Esteban, D.A.; Vanrompay, H.; Skorikov, A.; Béché, A.; Verbeeck, J.; Freitag, B.; Bals, S.
	Title	Fast electron low dose tomography for beam sensitive materials			Type	A1 Journal article
	Year	2021	Publication	Microscopy And Microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	27	Issue	S1	Pages	2116-2118
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.891
	Call Number	EMAT @ emat @c:irua:183278			Serial	6813
Permanent link to this record



	Author	Neelisetty, K.K.; Kumar C.N., S.; Kashiwar, A.; Scherer, T.; Chakravadhanula, V.S.K.; Kuebel, C.
	Title	Novel thin film lift-off process for in situ TEM tensile characterization			Type	A1 Journal article
	Year	2021	Publication	Microscopy And Microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	27	Issue	S1	Pages	216-217
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.891
	Call Number	UA @ admin @ c:irua:183617			Serial	6873
Permanent link to this record



	Author	Moiseeva, E.O.; Trashin, S.; Korostei, Y.S.; Khan, S.U.; Kosov, A.D.; De Wael, K.; Dubinina, T.V.; Tomilova, L.G.
	Title	Electrochemical and spectroelectrochemical studies of tert-butyl-substituted aluminum phthalocyanine			Type	A1 Journal article
	Year	2021	Publication	Polyhedron	Abbreviated Journal	Polyhedron
	Volume	200	Issue		Pages	115136
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Tetra-tert-butylphthalocyanine aluminum (III) chloride was studied by voltammetric and potential-resolved spectroelectrochemical methods in a non-coordinating solvent o-dichlorobenzene. Five redox transitions were found including two oxidation waves at 0.18 and 0.90 V and three reduction waves at −1.28, −1.65, and −2.63 V vs. Fc+/Fc. Electrochemical reversibility of the first oxidation and reduction processes was assessed by using the diagnostic criteria of cyclic voltammetry. First comprehensive spectroelectrochemical characterization of oxidation of the aluminum phthalocyanine is reported. Moreover, potential-resolved spectroelectrochemical titration revealed strong influence of aggregation on the UV–vis spectra and the half-wave potentials of the first oxidation transition and disclosed the presence of the partially oxidized complex in the initial solution, which noticeably affected the spectrum of the neutral form.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000640386000006	Publication Date	2021-03-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0277-5387	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.926	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.926
	Call Number	UA @ admin @ c:irua:176389			Serial	7860
Permanent link to this record



	Author	Cui, W.; Hu, Z.-Y.; Unocic, R.R.; Van Tendeloo, G.; Sang, X.
	Title	Atomic defects, functional groups and properties in MXenes			Type	A1 Journal article
	Year	2021	Publication	Chinese Chemical Letters	Abbreviated Journal	Chinese Chem Lett
	Volume	32	Issue	1	Pages	339-344
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	MXenes, a new family of functional two-dimensional (2D) materials, have shown great potential for an extensive variety of applications within the last decade. Atomic defects and functional groups in MXenes are known to have a tremendous influence on the functional properties. In this review, we focus on recent progress in the characterization of atomic defects and functional group chemistry in MXenes, and how to control them to directly influence various properties (e.g., electron transport, Li' adsorption, hydrogen evolution reaction (HER) activity, and magnetism) of 2D MXenes materials. Dynamic structural transformations such as oxidation and growth induced by atomic defects in MXenes are also discussed. The review thus provides perspectives on property optimization through atomic defect engineering, and bottom-up synthesis methods based on defect-assisted homoepitaxial growth of MXenes. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000618541800057	Publication Date	2020-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1001-8417	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.932	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.932
	Call Number	UA @ admin @ c:irua:177568			Serial	6777
Permanent link to this record



	Author	Shi, P.; Yu, K.; Niinemets, Ü.; Gielis, J.
	Title	Can leaf shape be represented by the ratio of leaf width to length? Evidence from nine species of Magnolia and Michelia (Magnoliaceae)			Type	A1 Journal article
	Year	2021	Publication	Forests	Abbreviated Journal	Forests
	Volume	12	Issue	1	Pages	41
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Leaf shape is closely related to economics of leaf support and leaf functions, including light interception, water use, and CO2 uptake, so correct quantification of leaf shape is helpful for studies of leaf structure/function relationships. There are some extant indices for quantifying leaf shape, including the leaf width/length ratio (W/L), leaf shape fractal dimension (FD), leaf dissection index, leaf roundness index, standardized bilateral symmetrical index, etc. W/L ratio is the simplest to calculate, and recent studies have shown the importance of the W/L ratio in explaining the scaling exponent of leaf dry mass vs. leaf surface area and that of leaf surface area vs. leaf length. Nevertheless, whether the W/L ratio could reflect sufficient geometrical information of leaf shape has been not tested. The FD might be the most accurate measure for the complexity of leaf shape because it can characterize the extent of the self-similarity and other planar geometrical features of leaf shape. However, it is unknown how strongly different indices of leaf shape complexity correlate with each other, especially whether W/L ratio and FD are highly correlated. In this study, the leaves of nine Magnoliaceae species (>140 leaves for each species) were chosen for the study. We calculated the FD value for each leaf using the box-counting approach, and measured leaf fresh mass, surface area, perimeter, length, and width. We found that FD is significantly correlated to the W/L ratio and leaf length. However, the correlation between FD and the W/L ratio was far stronger than that between FD and leaf length for each of the nine species. There were no strong correlations between FD and other leaf characteristics, including leaf area, ratio of leaf perimeter to area, fresh mass, ratio of leaf fresh mass to area, and leaf roundness index. Given the strong correlation between FD and W/L, we suggest that the simpler index, W/L ratio, can provide sufficient information of leaf shape for similarly-shaped leaves. Future studies are needed to characterize the relationships among FD and W/L in leaves with strongly varying shape, e.g., in highly dissected leaves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000611074700001	Publication Date	2020-12-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1999-4907	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.951	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.951
	Call Number	UA @ admin @ c:irua:174473			Serial	7572
Permanent link to this record



	Author	De Meyer, R.; Albrecht, W.; Bals, S.
	Title	Effectiveness of reducing the influence of CTAB at the surface of metal nanoparticles during in situ heating studies by TEM			Type	A1 Journal article
	Year	2021	Publication	Micron	Abbreviated Journal	Micron
	Volume	144	Issue		Pages	103036
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In situ TEM is a valuable technique to offer novel insights in the behavior of nanomaterials under various conditions. However, interpretation of in situ experiments is not straightforward since the electron beam can impact the outcome of such measurements. For example, ligands surrounding metal nanoparticles transform into a protective carbon layer upon electron beam irradiation and may impact the apparent thermal stability during in situ heating experiments. In this work, we explore the effect of different treatments typically proposed to remove such ligands. We found that plasma treatment prior to heating experiments for Au nanorods and nanostars increased the apparent thermal stability of the nanoparticles, while an activated carbon treatment resulted in a decrease of the observed thermal stability. Treatment with HCl barely changed the experimental outcome. These results demonstrate the importance of carefully selecting pre-treatments procedures during in situ heating experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000632282600002	Publication Date	2021-02-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.98	Times cited		Open Access	OpenAccess
	Notes	H2020; European Research Council; This work was supported by the European Union’s Horizon 2020 research and innovation program [grant agreement No 823717 (ESTEEM3) and No 815128 (REALNANO)]; We acknowledge Prof. Luis M. Liz-Marzán and co-workers of the Bionanoplasmonics Laboratory, CICbiomaGUNE, Spain for providing the Au nanoparticles.; sygma; esteem3jra; esteem3reported			Approved	Most recent IF: 1.98
	Call Number	EMAT @ emat @c:irua:175874			Serial	6677
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	Author	Yi, Y.; Wang, X.; Jafarzadeh, A.; Wang, L.; Liu, P.; He, B.; Yan, J.; Zhang, R.; Zhang, H.; Liu, X.; Guo, H.; Neyts, E.C.; Bogaerts, A.
	Title	Plasma-Catalytic Ammonia Reforming of Methane over Cu-Based Catalysts for the Production of HCN and H₂at Reduced Temperature			Type	A1 Journal article
	Year	2021	Publication	Acs Catalysis	Abbreviated Journal	Acs Catal
	Volume	11	Issue	3	Pages	1765-1773
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Industrial production of HCN from NH3 and CH4 not only uses precious Pt or Pt−Rh catalysts but also requires extremely high temperatures (∼1600 K). From an energetic, operational, and safety perspective, a drastic decrease in temperature is highly desirable. Here, we report ammonia reforming of methane for the production of HCN and H2 at 673 K by the combination of CH4/NH3 plasma and a supported Cu/silicalite-1 catalyst. 30% CH4 conversion has been achieved with 79% HCN selectivity. Catalyst characterization and plasma diagnostics reveal that the excellent reaction performance is attributed to metallic Cu active sites. In addition, we propose a possible reaction pathway, viz. E-R reactions with N, NH, NH2, and CH radicals produced in the plasma, for the production of HCN, based on density functional theory calculations. Importantly, the Cu/silicalite-1 catalyst costs less than 5% of the commercial Pt mesh catalyst.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000618540300057	Publication Date	2021-02-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.614	Times cited		Open Access	OpenAccess
	Notes	Universiteit Antwerpen, 32249 ; China Postdoctoral Science Foundation, 2015M580220 2016T90217 ; PetroChina Innovation Foundation, 2018D-5007-0501 ; National Natural Science Foundation of China, 21503032 ; We acknowledge ﬁnancial support from the National Natural Science Foundation of China [21503032], the China Postdoctoral Science Foundation [grant numbers 2015M580220 and 2016T90217, 2016], the PetroChina Innovation Foundation [2018D-5007-0501], and the TOP research project of the Research Fund of the University of Antwerp [grant ID 32249].			Approved	Most recent IF: 10.614
	Call Number	PLASMANT @ plasmant @c:irua:175880			Serial	6675
Permanent link to this record



	Author	Coeck, R.; Meeprasert, J.; Li, G.; Altantzis, T.; Bals, S.; Pidko, E.A.; De Vos, D.E.
	Title	Gold and silver-catalyzed reductive amination of aromatic carboxylic acids to benzylic amines			Type	A1 Journal article
	Year	2021	Publication	Acs Catalysis	Abbreviated Journal	Acs Catal
	Volume	11	Issue	13	Pages	7672-7684
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	The reductive amination of benzoic acid and its derivatives would be an effective addition to current synthesis methods for benzylamine. However, with current technology it is very difficult to keep the aromaticity intact when starting from benzoic acid, and salt wastes are often generated in the process. Here, we report a heterogeneous catalytic system for such a reductive amination, requiring solely H-2 and NH3 as the reactants. The Ag/TiO2 or Au/TiO2 catalysts can be used multiple times, and very little noble metal is required, only 0.025 mol % Au. The catalysts are bifunctional: the support catalyzes the dehydration of both the ammonium carboxylate to the amide and of the amide to the nitrile, while the sites at the metal-support interface promote the hydrogenation of the in situ generated nitrile. Yields of up to 92% benzylamine were obtained.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000670659900005	Publication Date	2021-06-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.614	Times cited	16	Open Access	OpenAccess
	Notes	R.C. thanks the FWO for his SB PhD fellowship. D.E.D.V. acknowledges FWO for research project funding, as well as KU Leuven for funding in the Metusalem program Casas. S.B. acknowledges support from the European Research Council (ERC Consolidator grant #815128 REALNANO). T.A. acknowledges funding from the University of Antwerp Research fund (BOF). E.A.P. acknowledges the support from the European Research Council (ERC Consolidator grant #725686 DeliCAT). J.M. acknowledges financial support through the Royal Thai Government Scholarship. DFT calculations on SURFsara supercomputer facilities were performed with support from the Netherlands Organization for Scientific Research (NWO).; sygmaSB			Approved	Most recent IF: 10.614
	Call Number	UA @ admin @ c:irua:179851			Serial	6840
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	Author	Zhang, T.; Schilling, W.; Khan, S.U.; Ching, H.Y.V.; Lu, C.; Chen, J.; Jaworski, A.; Barcaro, G.; Monti, S.; De Wael, K.; Slabon, A.; Das, S.
	Title	Atomic-level understanding for the enhanced generation of hydrogen peroxide by the introduction of an aryl amino group in polymeric carbon nitrides			Type	A1 Journal article
	Year	2021	Publication	Acs Catalysis	Abbreviated Journal	Acs Catal
	Volume	11	Issue	22	Pages	14087-14101
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	Heterogeneous catalysts are often & ldquo;black boxes & rdquo; due to the insufficient understanding of the detailed mechanisms at the catalytic sites. An atomic-level elucidation of the processes taking place in those regions is, thus, mandatory to produce robust and selective heterogeneous catalysts. We have improved the description of the whole reactive scenario for polymeric carbon nitrides (PCN) by combining atomic-level characterizations with magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) spectroscopy, classical reactive molecular dynamics (RMD) simulations, and quantum chemistry (QC) calculations. We disclose the structure & minus;property relationships of an ad hoc modified PCN by inserting an aryl amino group that turned out to be very efficient for the production of H2O2. The main advancement of this work is the development of a difluoromethylene-substituted aryl amino PCN to generate H2O2 at a rate of 2.0 mM & middot;h & minus;1 under the irradiation of household blue LEDs and the identification of possible active catalytic sites with the aid of 15N and 19F MAS solid-state NMR without using any expensive labeling reagent. RMD simulations and QC calculations confirm and further extend the experimental descriptions by revealing the role and locations of the identified functionalities, namely, NH linkers, & minus;NH2 terminal groups, and difluoromethylene units, reactants, and products. <comment>Superscript/Subscript Available</comment
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000758012900020	Publication Date	2021-11-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.614	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 10.614
	Call Number	UA @ admin @ c:irua:187276			Serial	7534
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	Author	Freund, R.; Canossa, S.; Cohen, S.M.; Yan, W.; Deng, H.; Guillerm, V.; Eddaoudi, M.; Madden, D.G.; Fairen-Jimenez, D.; Lyu, H.; Macreadie, L.K.; Ji, Z.; Zhang, Y.; Wang, B.; Haase, F.; Wöll, C.; Zaremba, O.; Andreo, J.; Wuttke, S.; Diercks, C.S.
	Title	25 years of Reticular Chemistry			Type	A1 Journal article
	Year	2021	Publication	Angewandte Chemie-International Edition	Abbreviated Journal	Angew Chem Int Edit
	Volume		Issue		Pages	anie.202101644
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	At its core, reticular chemistry has translated the precision and expertise of organic and inorganic synthesis to the solid state. While initial excitement over metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) was undoubtedly fueled by their unprecedented porosity and surface areas, the most profound scientific innovation of the field has been the elaboration of design strategies for the synthesis of extended crystalline solids through strong directional bonds. In this contribution we highlight the different classes of reticular materials that have been developed, how these frameworks can be functionalized and how complexity can be introduced into their backbones. Finally, we show how the structural control over these materials is being extended from the molecular scale to their crystal morphology and shape on the nanoscale, all the way to their shaping on the bulk scale.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000672037800001	Publication Date	2021-03-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 11.994
	Call Number	EMAT @ emat @c:irua:177778			Serial	6743
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