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	Author	Byrnes, I.; Lind, O.C.; Hansen, E.L.; Janssens, K.; Salbu, B.
	Title	Characterization of radioactive particles from the Dounreay nuclear reprocessing facility			Type	A1 Journal article
	Year	2020	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	727	Issue		Pages	138488-12
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Radioactive particles originating from nuclear fuel reprocessing at the United Kingdom Atomic Energy Authority's Dounreay Facility were inadvertently released to the environment in the late 1950s to 1970s and have subsequently been found on site grounds and local beaches. Previous assessments of risk associated with encountering a particle have been based on conservative assumptions related to particle composition and speciation. To reduce uncertainties associated with environmental impact assessments from Dounreay particles, further characterization is relevant. Results of particles available for this study showed variation between Dounreay Fast Reactor (DFR) and Materials Test Reactor (MTR) particles, reflecting differences in fuel design, release scenarios, and subsequent environmental influence. Analyses of DFR particles showed they are small (100-300 mu m) and contain spatially correlated U and Nb. Molybdenum, part of the DFR fuel, was identified at atomic concentrations below 1%. Based on SR-based micrometer-scale X-ray Absorption Near Edge Structure spectroscopy (mu-XANES), U may be present as U (IV), and, based on a measured Nb/U atom ratio of similar to 2, stoichiometric considerations are commensurable with the presence of UNb2O7. The MTR particles were larger (740-2000 mu m) and contained U and Al inhomogeneously distributed. Neodymium (Nd) was identified in atomic concentrations of around 1-2%, suggesting it was part of the fuel design. The presence of U(IV) in MTR particles, as indicated by mu-XANES analysis, may be related to oxidation of particle surfaces, as could be expected due to corrosion of UAlx fuel particles in air. High U-235/U-238 atom ratios in individual DFR (3.2 +/- 0.8) and MTR (2.6 +/- 0.4) particles reflected the presence of highly enriched uranium. The DFR particles featured lower Cs-137 activity levels (2.00-9.58 kBq/particle) than the MTR (43.2-641 kBq Cs-137/particle) particles. The activities of the dose contributing radionuclides Sr-90/Y-90 were proportional to Cs-137 (Sr-90/Cs-137 activity ratio approximate to 0.8) and particle activities were roughly proportional to the size. Based on direct beta measurements, gamma spectrometry, and the VARSKIN6 model, contact dose rates were calculated to be approximately 74 mGy/h for the highest activity MTR particle, in agreement with previously published estimates. (C) 2020 The Authors. Published by Elsevier B.V.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000537414400014	Publication Date	2020-04-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.8	Times cited	1	Open Access
	Notes	; This study has been funded by the Research Council of Norway through its Centre of Excellence (CoE) funding scheme (Project No. 223268/F50). The authors are grateful to the Scottish Environmental Protection Agency for providing the samples examined in this study and Deutsches Elektronen-Synchrotron (DESY) for granting beamtime at HASYLAB BL. The authors would like to thank Prof. D.H. Oughton for fruitful discussions on dosimetry, Dr. K. Proost for assistance with micro-XANES measurements, Dr. T. Gavfert for assistance with calibration of the Canberra SPAB15 instrument, and Dr. E. Reinoso-Maset for support on the Bruker M4 Tornado mu-XRF. The authors also thank Karl Andreas Jensen for guidance and support on ICP-MS. Finally, the authors express gratitude to Dr. D. Hamby and the RAMP organization for providing access to the VARSKIN6 code. ;			Approved	Most recent IF: 9.8; 2020 IF: 4.9
	Call Number	UA @ admin @ c:irua:170154			Serial	6467
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	Author	Vermeiren, V.
	Title	Chemical kinetics modeling of non-equilibrium and thermal effects in vibrationally active CO2 plasmas			Type	Doctoral thesis
	Year	2020	Publication		Abbreviated Journal
	Volume		Issue		Pages	207 p.
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:173385			Serial	6468
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	Author	Wuyts, W.; Marin, J.; Brusselaers, J.; Vrancken, K.
	Title	Circular economy as a COVID-19 cure?			Type	A1 Journal article
	Year	2020	Publication	Resources Conservation And Recycling	Abbreviated Journal	Resour Conserv Recy
	Volume	162	Issue		Pages	105016-2
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000569614800012	Publication Date	2020-06-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-3449	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.2	Times cited	3	Open Access
	Notes	; Part of this work was financially supported by the Research Foundation – Flanders (FWO), Belgium and the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan. We want to thank Lynne Stearman Falick and the editor for proofreading and providing comments on previous drafts. ;			Approved	Most recent IF: 13.2; 2020 IF: 3.313
	Call Number	UA @ admin @ c:irua:171912			Serial	6469
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	Author	Mirzakhani, M.; Peeters, F.M.; Zarenia, M.
	Title	Circular quantum dots in twisted bilayer graphene			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	7	Pages	075413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Within a tight-binding approach, we investigate the effect of twisting angle on the energy levels of circular bilayer graphene (BLG) quantum dots (QDs) in both the absence and presence of a perpendicular magnetic field. The QDs are defined by an infinite-mass potential, so that the specific edge effects are not present. In the absence of magnetic field (or when the magnetic length is larger than the moire length), we show that the low-energy states in twisted BLG QDs are completely affected by the formation of moire patterns, with a strong localization at AA-stacked regions. When magnetic field increases, the energy gap of an untwisted BLG QD closes with the edge states, localized at the boundaries between the AA- and AB-stacked spots in a twisted BLG QD. Our observation of the spatial localization of the electrons in twisted BLG QDs can be experimentally probed by low-bias scanning tunneling microscopy measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000512772200004	Publication Date	2020-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	13	Open Access
	Notes	; We gratefully acknowledge discussions with I. Snyman. M.Z. acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG0205ER46203. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:166493			Serial	6470
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	Author	Fret, J.; Roef, L.; Diels, L.; Tavernier, S.; Vyverman, W.; Michiels, M.
	Title	Combining medium recirculation with alternating the microalga production strain : a laboratory and pilot scale cultivation test			Type	A1 Journal article
	Year	2020	Publication	Algal Research-Biomass Biofuels And Bioproducts	Abbreviated Journal	Algal Res
	Volume	46	Issue		Pages	101763
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
	Abstract	Reuse of growth medium after biomass harvesting is a cost-saving approach to improve the economic feasibility of algae mass cultivation. Algal exudates, cell debris and varying amounts of residual nutrients, impose challenges to the recycling of spent medium. In this study, the potential of combining reused medium from different algae species for growing monocultures of other algal strains was evaluated by making use of three successive cultivation setups with increasing volume; 400 mL in turbidostat mode, 2.6 L and 220 L in semi-continuous mode. Cultivation on replenished medium derived from Nannochloropsis sp. and Tisochrysis lutea, had no adverse effect on the productivity of either of the strains, regardless of whether they were grown in their own recycled medium or that of the other alga. Microfiltration of the reused medium proved to be sufficient to avoid cross-contamination. Moreover, a substantial average reduction in water footprint (77%) and nutrient cost (68% or 9 (sic).kg(-1) dry biomass) was achieved. Extension and validation of the medium recycling approach to other economically interesting algae species can contribute to improving the economic feasibility of large scale microalgae production systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000512364900013	Publication Date	2020-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2211-9264	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.1	Times cited	4	Open Access
	Notes	; This work was financially supported by the Agency for Innovation by Science and Technology, Flanders (IWT Baekeland mandatory Jorien Fret, project no. 100678). We thank Kayawe Valentine Mubiana from the Systemic Physiological and Ecotoxicological Research group, University of Antwerp, for the assistance in the analysis of the trace elements. ;			Approved	Most recent IF: 5.1; 2020 IF: 3.994
	Call Number	UA @ admin @ c:irua:167742			Serial	6471
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	Author	Van Pottelberge, R.
	Title	Comment on “Electron states for gapped pseudospin-1 fermions in the field of a charged impurity”			Type	Editorial
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	19	Pages	197102-197103
	Keywords	Editorial; Condensed Matter Theory (CMT)
	Abstract	In a recent paper [Phys. Rev. B 99, 155124 (2019)], the spectrum of a regularized Coulomb charge was studied in gapped pseudospin-1 systems generated by an alpha – T-3 lattice. The electronic spectrum was studied as a function of the impurity strength Z alpha. However, the results and conclusions on the behavior of the flatband states as a function of the impurity strength are incomplete. In this Comment, I argue that because of the dispersionless nature of the flatband, the states spread out under the influence of a charged impurity forming a continuous band of states. I support my arguments with explicit numerical calculations which show the emergence of a continuum of states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000533793600004	Publication Date	2020-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited		Open Access
	Notes	; I would like to acknowledge very insightful discussions with the authors of the commented paper (V. P. Gusynin, E. V. Gorbar, and D. O. Oriekhov). F. M. Peeters is acknowledged for interesting discussions and proofreading. This research was supported by the Flemish Science Foundation through an aspirant research grant for R.V.P. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:169476			Serial	6472
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	Author	Cagno, S.; van der Snickt, G.; Legrand, S.; Caen, J.; Patin, M.; Meulebroeck, W.; Dirkx, Y.; Hillen, M.; Steenackers, G.; Rousaki, A.; Vandenabeele, P.; Janssens, K.
	Title	Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows : MA‐XRF , UV–Vis–NIR, Raman spectroscopy and IRT			Type	A1 Journal article
	Year	2020	Publication	X-Ray Spectrometry	Abbreviated Journal	X-Ray Spectrom
	Volume		Issue		Pages	xrs.3185-17
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	This paper critically compares the performance of four non-invasive techniques that match the accuracy, flexibility, time-efficiency, and transportability required for in situ characterization of leaded glass windows: macroscopic X-ray fluorescence imaging (MA-XRF), UV-Vis-NIR, Raman spectroscopy, and infrared thermography (IRT). In order to compare the techniques on equal grounds, all techniques were tested independently of each other by separate research groups on the same historical leaded window tentatively dated to the 17th century, without prior knowledge. The aim was to assess the ability of these techniques to document the conservation history of the window by classifying and grouping the colorless glass panes, based on differences in composition. IRT, MA-XRF and UV-Vis-NIR spectroscopy positively distinguished at least two glass groups, with MA-XRF providing the most detailed chemical information. In particular, based on the ratio between the network modifier (K) and network stabilizer (Ca) and on the level of colorants and decolorizers (Fe, Mn, As), the number of plausible glass families could be strongly reduced. In addition, UV-Vis-NIR detected cobalt at ppm level and gave more specific information on the chromophore Fe2+/Fe(3+)ratio. Raman spectroscopy was hampered by fluorescence caused by the metal ions of the decolorizer in most of the panes, but nevertheless identified one group as HLLA.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000561869600001	Publication Date	2020-08-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0049-8246	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.2	Times cited		Open Access
	Notes	; Belgian Federal Science Policy Office, Grant/Award Number: BR/175/A3/FENESTRA; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: 12X1919N; Baillet-Latour Fund ;			Approved	Most recent IF: 1.2; 2020 IF: 1.298
	Call Number	UA @ admin @ c:irua:170972			Serial	6473
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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	Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M.
	Title	Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms			Type	A1 Journal article
	Year	2020	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	22	Issue	4	Pages	2249-2261
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000510729400042	Publication Date	2019-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.3	Times cited	18	Open Access
	Notes	; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ;			Approved	Most recent IF: 3.3; 2020 IF: 4.123
	Call Number	UA @ admin @ c:irua:166553			Serial	6476
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	Author	Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M.
	Title	Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid			Type	A1 Journal article
	Year	2020	Publication	Bioelectrochemistry	Abbreviated Journal	Bioelectrochemistry
	Volume	134	Issue		Pages	107540
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000579727300004	Publication Date	2020-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1567-5394	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5	Times cited		Open Access
	Notes				Approved	Most recent IF: 5; 2020 IF: 3.346
	Call Number	UA @ admin @ c:irua:172494			Serial	6477
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	Author	Vargas Paredes, A.A.; Shanenko, A.A.; Vagov, A.; Milošević, M.V.; Perali, A.
	Title	Crossband versus intraband pairing in superconductors: signatures and consequences of the interplay			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	9	Pages	094516-94517
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We analyze the paradigmatic competition between intraband and crossband Cooper-pair formation in twoband superconductors, neglected in most works to date. We derive the phase-sensitive gap equations and describe the crossover between the intraband-dominated and the crossband-dominated regimes, delimited by a “gapless” state. Experimental signatures of crosspairing comprise notable gap splitting in the excitation spectrum, non-BCS behavior of gaps versus temperature, as well as changes in the pairing symmetry as a function of temperature. The consequences of these findings are illustrated on the examples of MgB2 and Ba0.6K0.4Fe2As2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000522074900002	Publication Date	2020-03-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	14	Open Access
	Notes	; This collaborative work was fostered within the international Multi Super network on Multi-condensate Superconductivity and Superfluidity [70]. The authors thank Andrea Guidini for his help during the initial stage of this work and Laura Fanfarillo for useful discussions. This work was partially supported by the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001) and the Research Foundation -Flanders (FWO). A.A.V.-P. acknowledges support by the joint doctoral program and by the Erasmus+ exchange between the University of Antwerp and the University of Camerino. M.V.M. gratefully acknowledges support from a Visiting Professorship at the University of Camerino. A.S. and A.V. acknowledge support from the CAPES/Print Grant, Process No. 88887.333666/ 2019-00 (Brazil) and the Russian Science Foundation Project No. 18-12-00429, respectively. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:168605			Serial	6479
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	Author	Nematollahi, P.
	Title	Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts			Type	Doctoral thesis
	Year	2020	Publication		Abbreviated Journal
	Volume		Issue		Pages	173 p.
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:169310			Serial	6481
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	Author	Bafekry, A.; Stampfl, C.; Peeters, F.M.
	Title	Dirac half-metallicity of thin PdCl₃ nanosheets : investigation of the effects of external fields, surface adsorption and defect engineering on the electronic and magnetic properties			Type	A1 Journal article
	Year	2020	Publication	Scientific Reports	Abbreviated Journal	Sci Rep-Uk
	Volume	10	Issue	1	Pages	213-215
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	PdCl3 belongs to a novel class of Dirac materials with Dirac spin-gapless semiconducting characteristics. In this paper based, on first-principles calculations, we have systematically investigated the effect of adatom adsorption, vacancy defects, electric field, strain, edge states and layer thickness on the electronic and magnetic properties of PdCl3 (palladium trichloride). Our results show that when spin-orbital coupling is included, PdCl3 exhibits the quantum anomalous Hall effect with a non-trivial band gap of 24 meV. With increasing number of layers, from monolayer to bulk, a transition occurs from a Dirac half-metal to a ferromagnetic metal. On application of a perpendicular electrical field to bilayer PdCl3, we find that the energy band gap decreases with increasing field. Uniaxial and biaxial strain, significantly modifies the electronic structure depending on the strain type and magnitude. Adsorption of adatom and topological defects have a dramatic effect on the electronic and magnetic properties of PdCl3. In particular, the structure can become a metal (Na), half-metal (Be, Ca, Al, Ti, V, Cr, Fe and Cu with, respective, 0.72, 9.71, 7.14, 6.90, 9.71, 4.33 and 9.5 μB magnetic moments), ferromagnetic-metal (Sc, Mn and Co with 4.55, 7.93 and 2.0 μB), spin-glass semiconductor (Mg, Ni with 3.30 and 8.63 μB), and dilute-magnetic semiconductor (Li, K and Zn with 9.0, 9.0 and 5.80 μB magnetic moment, respectively). Single Pd and double Pd + Cl vacancies in PdCl3 display dilute-magnetic semiconductor characteristics, while with a single Cl vacancy, the material becomes a half-metal. The calculated optical properties of PdCl3 suggest it could be a good candidate for microelectronic and optoelectronics devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000562795700001	Publication Date	2020-01-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2045-2322	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.6	Times cited	26	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). We are thankful for comments by Sevil Sarikurt from the department of physics in Dokuz Eylul University. In addition, we acknowledge OpenMX team for OpenMX code. ;			Approved	Most recent IF: 4.6; 2020 IF: 4.259
	Call Number	UA @ admin @ c:irua:169751			Serial	6483
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	Author	Nematollahi, P.; Neyts, E.C.
	Title	Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants			Type	A1 Journal article
	Year	2020	Publication	Applied Catalysis A-General	Abbreviated Journal	Appl Catal A-Gen
	Volume	602	Issue		Pages	117716-10
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000554006800046	Publication Date	2020-06-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-860x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.5	Times cited		Open Access
	Notes	; This work was performed with the financial support from the Doctoral Fund of the Antwerp University (NO. BOFLP33099). All the simulations are performed on resources provided by the high-performance computing center of Antwerp University. ;			Approved	Most recent IF: 5.5; 2020 IF: 4.339
	Call Number	UA @ admin @ c:irua:171219			Serial	6485
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	Author	Geerlings, N.M.J.; Karman, C.; Trashin, S.; As, K.S.; Kienhuis, M.V.M.; Hidalgo-Martinez, S.; Vasquez-Cardenas, D.; Boschker, H.T.S.; De Wael, K.; Middelburg, J.J.; Polerecky, L.; Meysman, F.J.R.
	Title	Division of labor and growth during electrical cooperation in multicellular cable bacteria			Type	A1 Journal article
	Year	2020	Publication	Proceedings Of The National Academy Of Sciences Of The United States Of America	Abbreviated Journal	P Natl Acad Sci Usa
	Volume	117	Issue	10	Pages	5478-5485
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Multicellularity is a key evolutionary innovation, leading to coordinated activity and resource sharing among cells, which generally occurs via the physical exchange of chemical compounds. However, filamentous cable bacteria display a unique metabolism in which redox transformations in distant cells are coupled via long-distance electron transport rather than an exchange of chemicals. This challenges our understanding of organismal functioning, as the link among electron transfer, metabolism, energy conservation, and filament growth in cable bacteria remains enigmatic. Here, we show that cells within individual filaments of cable bacteria display a remarkable dichotomy in biosynthesis that coincides with redox zonation. Nanoscale secondary ion mass spectrometry combined with 13 C (bicarbonate and propionate) and 15 N-ammonia isotope labeling reveals that cells performing sulfide oxidation in deeper anoxic horizons have a high assimilation rate, whereas cells performing oxygen reduction in the oxic zone show very little or no label uptake. Accordingly, oxygen reduction appears to merely function as a mechanism to quickly dispense of electrons with little to no energy conservation, while biosynthesis and growth are restricted to sulfide-respiring cells. Still, cells can immediately switch roles when redox conditions change, and show no differentiation, which suggests that the “community service” performed by the cells in the oxic zone is only temporary. Overall, our data reveal a division of labor and electrical cooperation among cells that has not been seen previously in multicellular organisms.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000519530400054	Publication Date	2020-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0027-8424; 1091-6490	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.1	Times cited	6	Open Access
	Notes	; We thank Arnold van Dijk for helping with the GasBench isotope ratio mass spectrometry analysis. N.M.J.G. is the recipient of a Ph.D. scholarship for teachers from the Netherlands Organisation for Scientific Research (NWO) in the Netherlands (grant 023.005.049). K.S.A. received financial support from the Olaf Schuiling fund. F.J.R.M. was financially supported by the Research Foundation Flanders (FWO) via grant G043119N, and the Netherlands Organization for Scientific Research (VICI grant 016.VICI.170.072). J.J.M. was supported by the Ministry of Education via the Netherlands Earth System Science Centre. The NanoSIMS facility was partly supported by an NWO large infrastructure subsidy to J.J.M. (175.010.2009.011). ;			Approved	Most recent IF: 11.1; 2020 IF: 9.661
	Call Number	UA @ admin @ c:irua:166452			Serial	6487
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	Author	Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K.
	Title	Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds			Type	A1 Journal article
	Year	2020	Publication	Journal Of The American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	142	Issue	46	Pages	jacs.0c08691-19630
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry
	Abstract	In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000592911000024	Publication Date	2020-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	15	Times cited		Open Access
	Notes				Approved	Most recent IF: 15; 2020 IF: 13.858
	Call Number	UA @ admin @ c:irua:173136			Serial	6488
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	Author	Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D.
	Title	Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	22	Pages	220504-220506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000538941900002	Publication Date	2020-06-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	11	Open Access
	Notes	; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:170201			Serial	6489
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	Author	Muys, M.; Papini, G.; Spiller, M.; Sakarika, M.; Schwaiger, B.; Lesueur, C.; Vermeir, P.; Vlaeminck, S.E.
	Title	Dried aerobic heterotrophic bacteria from treatment of food and beverage effluents: Screening of correlations between operation parameters and microbial protein quality			Type	A1 Journal article
	Year	2020	Publication	Bioresource Technology	Abbreviated Journal	Bioresource Technol
	Volume	307	Issue		Pages	123242-11
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000528857700051	Publication Date	2020-03-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-8524	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.4	Times cited	1	Open Access
	Notes	; The authors kindly thank (i) i-Cleantech Flanders MIP (Milieu-innovatieplatform) for financial support through the MicroNOD project (Microbial Nutrients on Demand), (ii) Erik Fransen (StatUA) for the helpful advice on the statistical analysis, and (iii) Ilse De Leersnyder and Diederik Leenknecht for assistance with the EAA analysis. ;			Approved	Most recent IF: 11.4; 2020 IF: 5.651
	Call Number	UA @ admin @ c:irua:169452			Serial	6491
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	Author	van der Snickt, G.; Dooley, K.A.; Sanyova, J.; Dubois, H.; Delaney, J.K.; Gifford, E.M.; Legrand, S.; Laquiere, N.; Janssens, K.
	Title	Dual mode standoff imaging spectroscopy documents the painting process of the Lamb of God in the Ghent Altarpiece by J. and H. Van Eyck			Type	A1 Journal article
	Year	2020	Publication	Science Advances	Abbreviated Journal
	Volume	6	Issue	31	Pages	eabb3379
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	The ongoing conservation treatment program of the Ghent Altarpiece by Hubert and Jan Van Eyck, one of the iconic paintings of the west, has revealed that the designs of the paintings were changed several times, first by the original artists, and then during later restorations. The central motif, The Lamb of God, representing Christ, plays an essential iconographic role, and its depiction is important. Because of the prevalence of lead white, it was not possible to visualize the Van Eycks' original underdrawing of the Lamb, their design changes, and the overpaint by later restorers with a single spectral imaging modality. However, by using elemental (x-ray fluorescence) and molecular (infrared reflectance) imaging spectroscopies, followed by analysis of the resulting data cubes, the necessary chemical contrast could be achieved. In this way, the two complementary modalities provided a more complete picture of the development and changes made to the Lamb.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000556543100033	Publication Date	2020-07-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2375-2548	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.6	Times cited		Open Access
	Notes	; This research was part of the activities of the Chair on Advanced Imaging Techniques for the Arts, established by the Baillet Latour fund. In addition, it was supported by the Belgian Science Policy Office (Project MO/39/011) and the Gieskes-Strijbis fund. We are also indebted to the BOF-GOA SOLARPaint project of the University of Antwerp Research Council and to FWO (Brussels) projects G056619N and G054719N. J.K.D. and K.A.D. acknowledge support from the National Gallery of Art. ;			Approved	Most recent IF: 13.6; 2020 IF: NA
	Call Number	UA @ admin @ c:irua:171270			Serial	6494
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	Author	Sui, Y.; Vlaeminck, S.E.
	Title	Dunaliella microalgae for nutritional protein : an undervalued asset			Type	A1 Journal article
	Year	2020	Publication	Trends in biotechnology : regular edition	Abbreviated Journal
	Volume	38	Issue	1	Pages	10-12
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	β-carotene production using Dunaliella microalgae is established, yet their potential as a source of protein for food and feed applications appears to be overlooked. The rich protein content and nutritional tunability of Dunaliella make these algae intriguing sources of sustainable protein. Thus, it is of societal interest to exploit these promising proteinaceous Dunaliella traits.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000503376700004	Publication Date	2019-08-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1879-3096; 0167-7799	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	17.3	Times cited	2	Open Access
	Notes	; This work was supported by the China Scholarship Council (File No. 201507650015) and the MIP i-Clean-tech Flanders (Milieu-innovatieplatform; Environment Innovation Platform) project Microbial Nutrients on Demand (MicroNOD). Dr Michele Moretti from University of Antwerp is acknowledged for proofreading the manuscript. ;			Approved	Most recent IF: 17.3; 2020 IF: 11.126
	Call Number	UA @ admin @ c:irua:164903			Serial	6495
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	Author	Kara De Maeijer, P.; Craeye, B.; Snellings, R.; Kazemi-Kamyab, H.; Loots, M.; Janssens, K.; Nuyts, G.
	Title	Effect of ultra-fine fly ash on concrete performance and durability			Type	A1 Journal article
	Year	2020	Publication	Construction And Building Materials	Abbreviated Journal	Constr Build Mater
	Volume	263	Issue		Pages	120493-13
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Energy and Materials in Infrastructure and Buildings (EMIB)
	Abstract	In the present study ultra-fine fly ash as a novel by-product obtained by a dry and closed separation process was investigated as cement replacement in concrete. The impact of ultra-fine fly ash on material properties was investigated following an upscaling as an approach considering paste, mortar and concrete properties. Two types of cement, Portland cement (CEMI) and slag cement (CEMIII), two types of ultra-fly ashes, one with particle size d90< 9.3lm (FA1) and second with d90< 4.6lm (FA2) were used.At paste- and mortar- level, cement was replaced at 0%, 15%, 25%, 35% and 50% with FA1 and FA2. At concrete- level, cement was replaced at 0%, 15% and 25% with different ratios of FA1 and FA2. The results at paste- and mortar- level showed that an increased fineness of the fly ash (FA2) contributes to better workability of the mix. For CEMI, the compressive strength of concrete with FA2 at 25% cement replacement was already equal to the reference 0% replacement concrete at the age of 28 days. For CEMIII, the compressive strength of concrete mix with FA1 with 15% and FA2 with 25% cement replacements reached the reference concrete value at the age of 91 days. Regarding the durability, replacing cement with ultra-fine fly ash (FA2) had a positive influence on the resistivity, chloride migration coefficient and alkali-silica reaction (ASR), and a negative influence on the carbonation resistance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000582567100093	Publication Date	2020-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0950-0618	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.4	Times cited		Open Access
	Notes				Approved	Most recent IF: 7.4; 2020 IF: 3.169
	Call Number	UA @ admin @ c:irua:171815			Serial	6498
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	Author	Grubova, I.Y.; Surmeneva, M.A.; Surmenev, R.A.; Neyts, E.C.
	Title	Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study			Type	A1 Journal article
	Year	2020	Publication	RSC advances	Abbreviated Journal
	Volume	10	Issue	62	Pages	37800-37805
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Hydroxyapatite (HAP) is frequently used as biocompatible coating on Ti-based implants. In this context, the HAP-Ti adhesion is of crucial importance. Here, we report ab initio calculations to investigate the influence of Si incorporation into the amorphous calcium-phosphate (a-HAP) structure on the interfacial bonding mechanism between the a-HAP coating and an amorphous titanium dioxide (a-TiO2) substrate, contrasting two different density functionals: PBE-GGA, and DFT-D3, which are capable of describing the influence of the van der Waals (vdW) interactions. In particular, we discuss the effect of dispersion on the work of adhesion (W-ad), equilibrium geometries, and charge density difference (CDD). We find that replacement of P by Si in a-HAP (a-Si-HAP) with the creation of OH vacancies as charge compensation results in a significant increase in the bond strength between the coating and substrate in the case of using the PBE-GGA functional. However, including the vdW interactions shows that these forces considerably contribute to the W-ad. We show that the difference (W-ad – W-ad(vdW)) is on average more than 1.1 J m(-2) and 0.5 J m(-2) for a-HAP/a-TiO2 and a-Si-HAP/a-TiO2, respectively. These results reveal that including vdW interactions is essential for accurately describing the chemical bonding at the a-HAP/a-TiO2 interface.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000583523300025	Publication Date	2020-10-14
	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	; The authors gratefully acknowledge financial support from the Russian president's grant MK-330.2020.8 and BOF Fellowships for International Joint PhD students funded by University of Antwerp (UAntwerp, project number 32545). The work was carried out at Tomsk Polytechnic University within the framework of Tomsk Polytechnic University Competitiveness Enhancement Program grant and in part using the Turing HPC infrastructure of the CalcUA core facility of the UAntwerp, a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerp, Belgium. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:173603			Serial	6499
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	Author	Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.
	Title	Electro-optical properties of monolayer and bilayer boron-doped C₃N: Tunable electronic structure via strain engineering and electric field			Type	A1 Journal article
	Year	2020	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	168	Issue		Pages	220-229
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal pattern, an indirect-to-direct band gap (0.8 eV) transition occurs. Furthermore, we study the effect of electric field and strain on the B doped C3N bilayer (B-C3N@2L). It is shown that by increasing E-field strength from 0.1 to 0.6V/angstrom, the band gap displays almost a linear decreasing trend, while for the > 0.6V/angstrom, we find dual narrow band gap with of 50 meV (in parallel E-field) and 0.4 eV (in antiparallel E-field). Our results reveal that in-plane and out-of-plane strains can modulate the band gap and band edge positions of the B-C3N@2L. Overall, we predict that B-C3N@2L is a new platform for the study of novel physical properties in layered two-dimensional materials (2DM) which may provide new opportunities to realize high-speed low-dissipation devices. (C) 2020 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000565900900008	Publication Date	2020-07-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.9	Times cited	21	Open Access
	Notes	; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government(MSIT) (NRF-2017R1A2B2011989). M. Yagmurcukardes acknowledges Flemish Science Foundation (FWO-VI) by a postdoctoral fellowship. ;			Approved	Most recent IF: 10.9; 2020 IF: 6.337
	Call Number	UA @ admin @ c:irua:171914			Serial	6500
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	Author	Morales-Yánez, F.; Trashin, S.; Sariego, I.; Roucher, C.; Paredis, L.; Chico, M.; De Wael, K.; Muyldermans, S.; Cooper, P.; Polman, K.
	Title	Electrochemical detection of Toxocara canis excretory-secretory antigens in children from rural communities in Esmeraldas Province, Ecuador : association between active infection and high eosinophilia			Type	A1 Journal article
	Year	2020	Publication	Parasites & Vectors	Abbreviated Journal	Parasite Vector
	Volume	13	Issue	1	Pages	245-247
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Background The diagnosis of active Toxocara canis infections in humans is challenging. Larval stages of T. canis do not replicate in human tissues and disease may result from infection with a single T. canis larva. Recently, we developed a nanobody-based electrochemical magnetosensor assay with superior sensitivity to detect T. canis excretory-secretory (TES) antigens. Here, we evaluate the performance of the assay in children from an Ecuadorian birth cohort that followed children to five years of age. Methods Samples were selected based on the presence of peripheral blood eosinophilia and relative eosinophil counts. The samples were analyzed by the nanobody-based electrochemical magnetosensor assay, which utilizes a bivalent biotinylated nanobody as capturing agent on the surface of streptavidin pre-coated paramagnetic beads. Detection was performed by a different nanobody chemically labelled with horseradish peroxidase. Results Of 87 samples tested, 33 (38%) scored positive for TES antigen recognition by the electrochemical magnetosensor assay. The average concentration of TES antigen in serum was 2.1 ng/ml (SD = 1.1). The positive result in the electrochemical assay was associated with eosinophilia > 19% (P = 0.001). Parasitological data were available for 57 samples. There was no significant association between positivity by the electrochemical assay and the presence of other soil-transmitted helminth infections. Conclusions Our nanobody-based electrochemical assay provides highly sensitive quantification of TES antigens in serum and has potential as a valuable tool for the diagnosis of active human toxocariasis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000535618800003	Publication Date	2020-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1756-3305	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.2	Times cited		Open Access
	Notes	; This project was funded by the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO-Flanders), project No. G.0189.13N. The ECUAVIDA cohort was funded by the Wellcome Trust (grant 072405/Z/03/Z and 088862/Z/09/Z). ;			Approved	Most recent IF: 3.2; 2020 IF: 3.08
	Call Number	UA @ admin @ c:irua:168966			Serial	6501
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	Author	Bafekry, A.; Stampfl, C.; Peeters, F.M.
	Title	The electronic, optical, and thermoelectric properties of monolayer PbTe and the tunability of the electronic structure by external fields and defects			Type	A1 Journal article
	Year	2020	Publication	Physica Status Solidi B-Basic Solid State Physics	Abbreviated Journal	Phys Status Solidi B
	Volume		Issue		Pages	2000182-12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	First‐principles calculations, within the framework of density functional theory, are used to investigate the structural, electronic, optical, and thermoelectric properties of monolayer PbTe. The effect of layer thickness, electric field, strain, and vacancy defects on the electronic and magnetic properties is systematically studied. The results show that the bandgap decreases as the layer thickness increases from monolayer to bulk. With application of an electric field on bilayer PbTe, the bandgap decreases from 70 meV (0.2 V Å⁻¹) to 50 meV (1 V Å⁻¹) when including spin–orbit coupling (SOC). Application of uniaxial strain induces a direct‐to‐indirect bandgap transition for strain greater than +6%. In addition, the bandgap decreases under compressive biaxial strain (with SOC). The effect of vacancy defects on the electronic properties of PbTe is also investigated. Such vacancy defects turn PbTe into a ferromagnetic metal (single vacancy Pb) with a magnetic moment of 1.3 μB, and into an indirect semiconductor with bandgap of 1.2 eV (single Te vacancy) and 1.5 eV (double Pb + Te vacancy). In addition, with change of the Te vacancy concentration, a bandgap of 0.38 eV (5.55%), 0.43 eV (8.33%), and 0.46 eV (11.11%) is predicted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000527679200001	Publication Date	2020-04-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.6	Times cited	37	Open Access
	Notes	; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). In addition, this work was supported by the FLAG-ERA project 2DTRANS TMD and the Flemish Science Foundation (FWO-Vl). The authors are thankful for comments by Mohan Verma from the Computational Nanoionics Research Lab, Department of Applied Physics, Bhilai, India and to Francesco Buonocore from ENEA, Casaccia Research Centre, Rome, Italy. ;			Approved	Most recent IF: 1.6; 2020 IF: 1.674
	Call Number	UA @ admin @ c:irua:168730			Serial	6502
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	Author	Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B.
	Title	Electronically tunable quantum phase slips in voltage-biased superconducting rings as a base for phase-slip flux qubits			Type	A1 Journal article
	Year	2020	Publication	Superconductor Science & Technology	Abbreviated Journal	Supercond Sci Tech
	Volume	33	Issue	12	Pages	125002
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Quantum phase slips represent a coherent mechanism to couple flux states of a superconducting loop. Since their first direct observation, there have been substantial developments in building charge-insensitive quantum phase-slip circuits. At the heart of these devices is a weak link, often a nanowire, interrupting a superconducting loop. Owing to the very small cross-sectional area of such a nanowire, quantum phase slip rates in the gigahertz range can be achieved. Instead, here we present the use of a bias voltage across a superconducting loop to electrostatically induce a weak link, thereby amplifying the rate of quantum phase slips without physically interrupting the loop. Our simulations reveal that the bias voltage modulates the free energy barrier between subsequent flux states in a very controllable fashion, providing a route towards a phase-slip flux qubit with a broadly tunable transition frequency.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000577207000001	Publication Date	2020-09-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.6	Times cited	4	Open Access
	Notes	; ;			Approved	Most recent IF: 3.6; 2020 IF: 2.878
	Call Number	UA @ admin @ c:irua:172643			Serial	6503
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	Author	Bafekry, A.; Stampfl, C.; Akgenc, B.; Mortazavi, B.; Ghergherehchi, M.; Nguyen, C.V.
	Title	Embedding of atoms into the nanopore sites of the C₆N₆ and C₆N₈ porous carbon nitride monolayers with tunable electronic properties			Type	A1 Journal article
	Year	2020	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	22	Issue	11	Pages	6418-6433
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C6N6 and C6N8 monolayers. Our results indicate that the embedded atoms significantly affect the electronic and magnetic properties of C6N6 and C6N8 monolayers and lead to extraordinary and multifarious electronic properties, such as metallic, half-metallic, spin-glass semiconductor and dilute-magnetic semiconductor behaviour. Our results reveal that the H atom concentration dramatically affects the C6N6 monolayer. On increasing the H coverage, the impurity states also increase due to H atoms around the Fermi-level. C6N6 shows metallic character when the H atom concentration reaches 6.25%. Moreover, the effect of charge on the electronic properties of both Cr@C6N6 and C@C6N8 is also studied. Cr@C6N6 is a ferromagnetic metal with a magnetic moment of 2.40 mu(B), and when 0.2 electrons are added and removed, it remains a ferromagnetic metal with a magnetic moment of 2.57 and 2.77 mu(B), respectively. Interestingly, one can observe a semi-metal, in which the VBM and CBM in both spin channels touch each other near the Fermi-level. C@C6N8 is a semiconductor with a nontrivial band gap. When 0.2 electrons are removed, it remains metallic, and under excess electronic charge, it exhibits half-metallic behaviour.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000523409400037	Publication Date	2020-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.3	Times cited	17	Open Access
	Notes	; This work was supported by a National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ;			Approved	Most recent IF: 3.3; 2020 IF: 4.123
	Call Number	UA @ admin @ c:irua:168617			Serial	6504
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	Author	Bekaert, J.; Khestanova, E.; Hopkinson, D.G.; Birkbeck, J.; Clark, N.; Zhu, M.; Bandurin, D.A.; Gorbachev, R.; Fairclough, S.; Zou, Y.; Hamer, M.; Terry, D.J.; Peters, J.J.P.; Sanchez, A.M.; Partoens, B.; Haigh, S.J.; Milošević, M.V.; Grigorieva, I., V
	Title	Enhanced superconductivity in few-layer TaS₂ due to healing by oxygenation			Type	A1 Journal article
	Year	2020	Publication	Nano Letters	Abbreviated Journal	Nano Lett
	Volume	20	Issue	5	Pages	3808-3818
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional (2D) materials. While defects are generally thought to negatively affect superconductivity in 2D materials, here we demonstrate the contrary in the case of oxygenation of ultrathin tantalum disulfide (TaS2). Our first-principles calculations show that incorporation of oxygen into the TaS2 crystal lattice is energetically favorable and effectively heals sulfur vacancies typically present in these crystals, thus restoring the electronic band structure and the carrier density to the intrinsic characteristics of TaS2. Strikingly, this leads to a strong enhancement of the electron-phonon coupling, by up to 80% in the highly oxygenated limit. Using transport measurements on fresh and aged (oxygenated) few-layer TaS2, we found a marked increase of the superconducting critical temperature (T-c) upon aging, in agreement with our theory, while concurrent electron microscopy and electron-energy loss spectroscopy confirmed the presence of sulfur vacancies in freshly prepared TaS2 and incorporation of oxygen into the crystal lattice with time. Our work thus reveals the mechanism by which certain atomic-scale defects can be beneficial to superconductivity and opens a new route to engineer T-c in ultrathin materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000535255300114	Publication Date	2020-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	16	Open Access
	Notes	; This work was supported by Research Foundation-Flanders (FWO). J.Be. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. S.J.H., D.H., and S.F. would like to thank the Engineering and Physical Sciences Research Council (EPSRC) U.K (grants EP/R031711/1, EP/P009050/1 and the Graphene NOWNANO CDT) and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement ERC-2016-STG-EvoluTEM-715502, the Hetero2D Synergy grant and EC-FET Graphene Flagship) for funding. We thank Diamond Light Source for access and support in use of the electron Physical Science Imaging Centre (Instrument E02 and proposal numbers EM19315 and MG21597) that contributed to the results presented here. ;			Approved	Most recent IF: 10.8; 2020 IF: 12.712
	Call Number	UA @ admin @ c:irua:170264			Serial	6507
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	Author	Zhu, W.; Li, J.; Wang, B.; Chen, G.
	Title	Enhancement of pollutants removal from saline wastewater through simultaneous anammox and denitrification (SAD) process with glycine betaine addition			Type	A1 Journal article
	Year	2020	Publication	Bioresource Technology	Abbreviated Journal	Bioresource Technol
	Volume	315	Issue		Pages	123784
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Enhanced pollutants removal from saline wastewater was investigated in simultaneous anammox and denitrification (SAD) process with glycine betaine (GB) addition. Long-term operation indicated the optimal GB dose was around 0.4 mM, which enhanced both anammox and denitrifying activity by 30% and 45%, respectively. The total nitrogen and organic removal rates were 0.38 +/- 0.2 kgN/m(3)/d and 0.34 +/- 0.3 kgCOD/m(3)/d, respectively, which increased by 34.5% and 20.5%. Independent of GB dose, denitrifying activity was promoted, but anammox activity was drastically deteriorated after excessive GB addition. The optimal GB dose predicated by both Gaussian and Modified-Boltzmann models were 0.42-0.45 mM. Besides, the bacterial activity recovery after excessive GB addition could be analyzed by the Modified-Boltzmann model. With 1.5 mM GB, granular floatation occurred since numerous gas bubbles were inside the granules. In general, exogenous GB addition can mitigate salinity inhibition and promote pollutants removal from saline wastewater.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000560717900013	Publication Date	2020-07-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-8524	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.4	Times cited	1	Open Access
	Notes	; This study was financially supported by the National Natural Science Foundation of China (51878362), China Postdoctoral Science Foundation (2017M610410, 2018T110665) and State Key Joint Laboratory of Environment Simulation and Pollution Control (Research Center for Eco-environmental Sciences, Chinese Academy of Sciences) (18K02ESPCR). The authors also thank Dr. Yuan Hou and Dr. Chao Fang from University of Antwerp for numerous discussion. ;			Approved	Most recent IF: 11.4; 2020 IF: 5.651
	Call Number	UA @ admin @ c:irua:171118			Serial	6508
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	Author	Spiller, M.; Muys, M.; Papini, G.; Sakarika, M.; Buyle, M.; Vlaeminck, S.E.
	Title	Environmental impact of microbial protein from potato wastewater as feed ingredient : comparative consequential life cycle assessment of three production systems and soybean meal			Type	A1 Journal article
	Year	2020	Publication	Water Research	Abbreviated Journal	Water Res
	Volume	171	Issue		Pages	115406
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
	Abstract	Livestock production is utilizing large amounts of protein-rich feed ingredients such as soybean meal. The proven negative environmental impacts of soybean meal production incentivize the search for alternative protein sources. One promising alternative is Microbial Protein (MP), i.e. dried microbial biomass. To date, only few life cycle assessments (LCAs) for MP have been carried out, none of which has used a consequential modelling approach nor has been investigating the production of MP on food and beverage wastewater. Therefore, the objective of this study is to evaluate the environmental impact of MP production on a food and beverage effluent as a substitute for soybean meal using a consequential modelling approach. Three different types of MP production were analysed, namely consortia containing Aerobic Heterotrophic Bacteria (AHB), Microalgae and AHB (MaB), and Purple Non-Sulfur Bacteria (PNSB). The production of MP was modelled for high-strength potato wastewater (COD = 10 kg/m3) at a flow rate of 1,000 m3/day. LCA results were compared against soybean meal production for the endpoint impact categories human health, ecosystems, and resources. Soybean meal showed up to 52% higher impact on human health and up to 87% higher impact on ecosystems than MP. However, energy-related aspects resulted in an 8–88% higher resource exploitation for MP. A comparison between the MP production systems showed that MaB performed best when considering ecosystems (between 13 and 14% better) and resource (between 71 and 80% better) impact categories, while AHB and PNSB had lower values for the impact category human health (8–12%). The sensitivity analysis suggests that the conclusions drawn are robust as in the majority of 1,000 Monte Carlo runs the initial results are confirmed. In conclusion, it is suggested that MP is an alternative protein source of comparatively low environmental impact that should play a role in the future protein transition, in particular when further process improvements can be implemented and more renewable or waste energy sources will be used.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000514748900032	Publication Date	2019-12-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0043-1354	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.8	Times cited	10	Open Access
	Notes	; The authors would like to thank (i) the MIP i-Cleantech Flanders (Milieu innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD; 150360) for financial support, (ii) the Research Foundation Flanders (FWO-Vlaanderen) for supporting Gustavo Papini with a doctoral fellowship (strategic basic research; 1S38917N), (iii) Research Foundation Flanders (FWO-Vlaanderen) for supporting Matthias Buyle with a post-doctoral fellowship (Postdoctoral Fellow junior; 1207520N), and (iv) Bo Weidema, Abbas Alloul, Yixing Sui and Tim Van Winckel for their insightful discussions. ;			Approved	Most recent IF: 12.8; 2020 IF: 6.942
	Call Number	UA @ admin @ c:irua:164944			Serial	6509
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