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	Author	Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J.
	Title	Stabilisation of magnetic ordering in La₃Ni_2-xCu_xB'O₉(B'=Sb,Ta,Nb) by the introduction of Cu²⁺			Type	A1 Journal article
	Year	2019	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	276	Issue	276	Pages	164-172
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000473372400023	Publication Date	2019-05-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	2	Open Access
	Notes	; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ;			Approved	Most recent IF: 2.299
	Call Number	UA @ admin @ c:irua:161199			Serial	5396
Permanent link to this record



	Author	Chiapperino, M.A.; Bia, P.; Caratelli, D.; Gielis, J.; Mescia, L.; Dermol-Cerne, J.; Miklavcic, D.
	Title	Nonlinear dispersive model of electroporation for irregular nucleated cells			Type	A1 Journal article
	Year	2019	Publication	Bioelectromagnetics	Abbreviated Journal
	Volume	40	Issue	5	Pages	331-342
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In this work, the electroporation phenomenon induced by pulsed electric field on different nucleated biological cells is studied. A nonlinear, non-local, dispersive, and space-time multiphysics model based on Maxwell's and asymptotic Smoluchowski's equations has been developed to calculate the transmembrane voltage and pore density on both plasma and nuclear membrane perimeters. The irregular cell shape has been modeled by incorporating in the numerical algorithm the analytical functions pertaining to Gielis curves. The dielectric dispersion of the cell media has been modeled considering the multi-relaxation Debye-based relationship. Two different irregular nucleated cells have been investigated and their response has been studied applying both the dispersive and non-dispersive models. By a comparison of the obtained results, differences can be highlighted confirming the need to make use of the dispersive model to effectively investigate the cell response in terms of transmembrane voltages, pore densities, and electroporation opening angle, especially when irregular cell shapes and short electric pulses are considered. Bioelectromagnetics. 2019;40:331-342. (c) 2019 Wiley Periodicals, Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000472568200004	Publication Date	2019-06-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0197-8462	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:161282			Serial	8315
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	Author	Chen, Q.; Li, L.L.; Peeters, F.M.
	Title	Inner and outer ring states of MoS2 quantum rings : energy spectrum, charge and spin currents			Type	A1 Journal article
	Year	2019	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	125	Issue	24	Pages	244303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the energy levels and persistent currents of MoS2 quantum rings having different shapes and edge types in the presence of a perpendicular magnetic field by means of the tight-binding approach. We find states localized at the inner and outer boundaries of the ring. These energy levels exhibit different magnetic field dependences for the inner and outer ring states due to their different localization properties. They both exhibit the usual Aharanov-Bohm oscillations but with different oscillation periods. In the presence of spin-orbit coupling, we show distinct spin and charge persistent currents for inner and outer ring states. We find well-defined spin currents with negligibly small charge currents. This is because the local currents of spin-up and -down states flow in opposite directions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000474439600026	Publication Date	2019-06-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	11	Open Access
	Notes	; This work was supported by the Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2080, and 2018JJ4047), the National Natural Science Foundation of China (NNSFC) (No. 51502087), the Scientific Research Fund of Hunan Provincial Education Department (Nos. 15A042, 15B056, and 17B060), and the Flemish Science Foundation (FWO-VI). ;			Approved	Most recent IF: 2.068
	Call Number	UA @ admin @ c:irua:161309			Serial	5417
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	Author	Chekol Zewdie, M.; Van Passel, S.; Cools, J.; Tenessa, D.B.; Ayele, Z.A.; Tsegaye, E.A.; Minale, A.S.; Nyssen, J.
	Title	Direct and indirect effect of irrigation water availability on crop revenue in northwest Ethiopia : a structural equation model			Type	A1 Journal article
	Year	2019	Publication	Agricultural Water Management	Abbreviated Journal	Agr Water Manage
	Volume	220	Issue	220	Pages	27-35
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Development of a clear understanding of the relationship between the availability of dam-driven irrigation water and crop revenue is important in poverty reduction and food security process. As a result, large research efforts are devoted to understanding the relationship between the availability of irrigation water and crop revenue. However, earlier studies do have several limitations. For example, without considering its indirect effect, prior studies focused solely on the direct effect of availability of irrigation water on crop revue. In this study, using a structural equation model analysis, the direct and indirect effect of availability of dam-driven irrigation water on crop revenue is decomposed and quantified specifically for the Koga irrigation scheme, located in the Mecha district of Amhara region in Ethiopia. A primary data set was collected from a randomly selected sample of 450 households in the Koga irrigation scheme. More than half of the households (254) are supported by the Koga Dam irrigation water during the dry season, and the other 196 households depended only on rainfall. The results of the study showed that, in addition to its direct effect, the availability of irrigation water indirectly affected crop revenue through receptivity of the farmers to use modern farm inputs. Around 27 percent of the total effect of dam-driven irrigation water on crop revenue was mediated by farmers’ receptivity to use yield-enhancing modern farm inputs. The results of this study suggested that the availability of irrigation water is essential to improve both crop revenue and receptivity of the farmers to use modern farm inputs. This finding also drives a strategic framework that the receptivity of the farmers to use modern farm inputs is crucial for utilizing the positive effects of irrigation water availability on crop revenue.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000470941300003	Publication Date	2019-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-3774	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.848	Times cited	1	Open Access
	Notes	; The authors would like to thank Bahir Dar University – Institutional University Cooperation (BDU-IUC) VLIR_UOS project for providing us enough funds for the completion of this study. Special gratitude is given to Abrehet Kahassay and Kassahun Birhanu for helping us to map the study area; and to the data collectors (Hilemichael Fentahun, Etsehewot Birara, and Tsegachewu Degu) for their commitment. The authors gratefully acknowledge the Koga Irrigation Scheme office managers, Tewachewu Abebe, and his colleagues for their support during the data collection. The authors also acknowledge the farmers (respondents) for their willingness to spend time responding honestly to questions. ;			Approved	Most recent IF: 2.848
	Call Number	UA @ admin @ c:irua:159246			Serial	6182
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	Author	Chaves, A.; Neilson, D.
	Title	Exotic state seen at high temperatures			Type	Editorial
	Year	2019	Publication	Nature	Abbreviated Journal	Nature
	Volume	574	Issue	7776	Pages	39-40
	Keywords	Editorial; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The phenomenon of Bose-Einstein condensation is typically limited to extremely low temperatures. The effect has now been spotted at much higher temperatures for particles called excitons in atomically thin semiconductors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000488832500022	Publication Date	2019-10-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0028-0836	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	40.137	Times cited	2	Open Access
	Notes	; ;			Approved	Most recent IF: 40.137
	Call Number	UA @ admin @ c:irua:163739			Serial	5413
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	Author	Charalampopoulou, E.; Delville, R.; Verwerft, M.; Lambrinou, K.; Schryvers, D.
	Title	Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic			Type	A1 Journal article
	Year	2019	Publication	Corrosion science	Abbreviated Journal	Corrosion Science
	Volume	147	Issue		Pages	22-31
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000456902100003	Publication Date	2018-10-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010938X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	5	Open Access	OpenAccess
	Notes	The authors would like to thank J. Joris for the technical support during corrosion testing and J. Lim for the manufacturing and calibration of the oxygen sensors and oxygen pumps used in this work. E. Charalampopoulou personally thanks H. Heidari, S. Pourbabak, A. Orekhov (EMAT) and N. Cautaerts (EMAT, SCK•CEN), for their valuable help with the training of the FEI Tecnai Osiris S/TEM and Jeol 3000 S/ TEM, respectively, as well as S. Van den Broeck (EMAT), J. Pakarinen (SCK•CEN) and W. Van Renterghem (SCK•CEN) for FIB sample preparation. Moreover, the authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM).			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @UA @ admin @ c:irua:157541			Serial	5164
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	Author	Charalampopoulou, E.; Cautaerts, N.; Van der Donck, T.; Schryvers, D.; Lambrinou, K.; Delville, R.
	Title	Orientation relationship of the austenite-to-ferrite transformation in austenitic stainless steels due to dissolution corrosion in contact with liquid Pb-Bi eutectic			Type	A1 Journal article
	Year	2019	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	167	Issue	167	Pages	66-70
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The orientation relationship of an austenite-to-ferrite phase transformation in 316L stainless steels induced by the loss of austenite stabilizers resulting from the steel dissolution corrosion in liquid Pb-Bi eutectic was studied by means of electron backscatter diffraction. The misorientations at the austenite/ferrite interface were compared to the prevailing orientation relationship models in steels. The Pitsch orientation relationship model was found to be predominant, which is unusual for austenite-to-ferrite bulk transformations in steels. The nature of this particular transformation, which involves loss of steel alloying elements and the presence of an interfacial liquid metal layer, is discussed to explain this finding. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000468720000014	Publication Date	2019-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	3	Open Access	Not_Open_Access
	Notes	; The authors would like to thank J. Joris (SCK center dot CEN) for technical support during corrosion testing, J. Lim (SCK center dot CEN) for the manufacture and calibration of the oxygen sensors used in this work and W. Van Renterghem (SCK center dot CEN) for his valuable help with the EBSD measurements. The steel suppliers were: Industeel, ArcelorMittal Group, for the 316L-SA plate, and Panchmahal Steel Ltd., India, for the 316L-CWrod. The authors gratefully acknowledge the financial support provided within the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). ;			Approved	Most recent IF: 3.747
	Call Number	UA @ admin @ c:irua:160228			Serial	5257
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	Author	Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M.
	Title	Characterization of (Ti,Mo,Cr)C nanoprecipitates in an austenitic stainless steel on the atomic scale			Type	A1 Journal article
	Year	2019	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	164	Issue		Pages	90-98
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nanometer sized (Ti,Mo,Cr)C (MX-type) precipitates that grew in a 24% cold worked Ti-stabilized austenitic stainless steel (grade DIN 1.4970, member of the 15-15Ti austenitic stainless steels) after heat treatment were fully characterized with transmission electron microscopy (TEM), probe corrected high angle annular dark field scanning transmission electron microscopy (HR-HAADF STEM), and atom probe tomography (APT). The precipitates shared the cube-on-cube orientation with the matrix and were facetted on {111} planes, yielding octahedral and elongated octahedral shapes. The misfit dislocations were believed to have Burgers vectors a/6<112> which was verified by geometrical phase analysis (GPA) strain mapping of a matrix-precipitate interface. The dislocations were spaced five to seven atomic planes apart, on average slightly wider than expected for the lattice parameters of steel and TiC. Quantitative atom probe tomography analysis of the precipitates showed that precipitates were significantly enriched in Mo, Cr and V, and that they were hypostoichiometric with respect to C. These findings were consistent with a reduced lattice parameter. The precipitates were found primarily on Shockley partial dislocations originating from the original perfect dislocation network. These novel findings could contribute to the understanding of how TiC nanoprecipitates interact with point defects and matrix dislocations. This is essential for the application of these Ti-stabilized steels in high temperature environments or fast spectrum nuclear fission reactors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000456902800008	Publication Date	2018-10-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	2	Open Access	Not_Open_Access: Available from 12.10.2020
	Notes	This work was supported by ENGIE [contract number 2015-AC- 007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07- 051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program in development at SCKCEN, Belgium. Special thanks to Dr. H. Mezerji and Dr. T. Altantzis for the work on the FEI Titan microscope.We also want to thank Ms. J. Burns for the help on the FIB and Dr. Y. Wu at CAES for conducting the APT measurements.			Approved	Most recent IF: 5.301
	Call Number	EMAT @ emat @c:irua:154873UA @ admin @ c:irua:154873			Serial	5060
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	Author	Cautaerts, N.; Delville, R.; Schryvers, D.
	Title	ALPHABETA: a dedicated open-source tool for calculating TEM stage tilt angles			Type	A1 Journal article
	Year	2019	Publication	Journal of microscopy	Abbreviated Journal	J Microsc-Oxford
	Volume	273	Issue	3	Pages	189-198
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000458426100004	Publication Date	2018-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2720	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.692	Times cited	2	Open Access	Not_Open_Access
	Notes	ENGIE Ph.D. sponsorship, 2015-AC-007 – BSUEZ6900 ;			Approved	Most recent IF: 1.692
	Call Number	EMAT @ emat @UA @ admin @ c:irua:157474			Serial	5163
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	Author	Cautaerts, N.
	Title	Nanoscale study of ageing and irradiation induced precipitates in the DIN 1.4970 alloy			Type	Doctoral thesis
	Year	2019	Publication		Abbreviated Journal
	Volume		Issue		Pages	306 p.
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:161997			Serial	5392
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	Author	Castanheiro, A.; Joos, P.; Wuyts, K.; De Wael, K.; Samson, R.
	Title	Leaf-deposited semi-volatile organic compounds (SVOCs) : an exploratory study using GCxGC-TOFMS on leaf washing solutions			Type	A1 Journal article
	Year	2019	Publication	Chemosphere	Abbreviated Journal	Chemosphere
	Volume	214	Issue	214	Pages	103-110
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Airborne particulate matter (PM) includes semi-volatile organic compounds (SVOCs), which can be deposited on vegetation matrices such as plant leaves. In alternative to air-point measurements or artificial passive substrates, leaf monitoring offers a cost-effective, time-integrating means of assessing local air quality. In this study, leaf washing solutions from ivy (Hedera hibernica) leaves exposed during one-month at different land use classes were explored via comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-TOFMS). The composition of leaf-deposited SVOCs, corrected for those of unexposed leaves, was compared against routinely monitored pollutants concentrations (PM10, PM2.5, O3, NO2, SO2) measured at co-located air monitoring stations. The first study on leaf-deposited SVOCs retrieved from washing solutions, herein reported, delivered a total of 911 detected compounds. While no significant land use (rural, urban, industrial, traffic, mixed) effects were observed, increasing exposure time (from one to 28 days) resulted in a higher number and diversity of SVOCs, suggesting cumulative time-integration to be more relevant than local source variations between sites. After one day, leaf-deposited SVOCs were mainly due to alcohols, N-containing compounds, carboxylic acids, esters and lactones, while ketones, diketones and hydrocarbons compounds gained relevance after one week, and phenol compounds after one month. As leaf-deposited SVOCs became overall more oxidized throughout exposure time, SVOCs transformation or degradation at the leaf surface is suggested to be an important phenomenon. This study confirmed the applicability of GCxGC-TOFMS to analyze SVOCs from leaf washing solutions, further research should include validation of the methodology and comparison with atmospheric organic pollutants.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000449891300013	Publication Date	2018-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0045-6535; 1879-1298	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.208	Times cited		Open Access
	Notes	; The authors thank the Flemish Environment Agency (VMM) for their collaboration and air quality data; Sam Dekkers and Jonathan Van Waeyenbergh for their help with sample collection. The study was performed using a study set-up funded by the Special Research Fund of the University of Antwerp (KPBOF 2014, no. FFB 140090 'Tree leaf surface properties as dynamic drivers of particulate matter-leaf interaction and phyllosphere microbial communities'). A.C. acknowledges the Research Foundation Flanders (FWO) for her SB PhD fellowship. ;			Approved	Most recent IF: 4.208
	Call Number	UA @ admin @ c:irua:153509			Serial	5692
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	Author	Cassidy, S.J.; Pitcher, M.J.; Lim, J.J.K.; Hadermann, J.; Allen, J.P.; Watson, G.W.; Britto, S.; Chong, E.J.; Free, D.G.; Grey, C.P.; Clarke, S.J.
	Title	Layered CeSO and LiCeSO oxide chalcogenides obtained via topotactic oxidative and reductive transformations			Type	A1 Journal article
	Year	2019	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	58	Issue	6	Pages	3838-3850
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The chemical accessibility of the Celv oxidation state enables redox chemistry to be performed on the naturally coinagemetal -deficient phases CeM1-xSO (M = Cu, Ag). A metastable black compound with the PbFC1 structure type (space group P4/nmm: a = 3.8396(1) angstrom, c = 6.607(4) angstrom, V = 97.40(6) angstrom(3)) and a composition approaching CeSO is obtained by deintercalation of Ag from CeAg0.8SO. High-resolution transmission electron microscopy reveals the presence of large defect-free regions in CeSO, but stacking faults are also evident which can be incorporated into a quantitative model to account for the severe peak anisotropy evident in all the highresolution X-ray and neutron diffractograms of bulk CeSO samples; these suggest that a few percent of residual Ag remains. A strawcolored compound with the filled PbFCI (i.e., ZrSiCuAs- or HfCuSi2type) structure (space group P4/nmm: a = 3.98171(1) angstrom, c = 8.70913(5) angstrom, V = 138.075(1) angstrom 3) and a composition close to LiCeSO, but with small amounts of residual Ag, is obtained by direct reductive lithiation of CeAga8S0 or by insertion of Li into CeSO using chemical or electrochemical means. Computation of the band structure of pure, stoichiometric CeSO predicts it to be a Ce' compound with the 4f-states lying approximately 1 eV above the sulfide-dominated valence band maximum. Accordingly, the effective magnetic moment per Ce ion measured in the CeSO samples is much reduced from the value found for the Ce3+-containing LiCeSO, and the residual paramagnetism corresponds to the Ce3+ ions remaining due to the presence of residual Ag, which presumably reflects the difficulty of stabilizing Ce' in the presence of sulfide (S2-). Comparison of the behavior of CeCu0.8SO with that of CeCu0.8SO reveals much slower reaction kinetics associated with the Cu,_xS layers, and this enables intermediate CeCui LixSO phases to be isolated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000461978700036	Publication Date	2019-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited		Open Access	OpenAccess
	Notes	; We thank the UK EPSRC (EP/M020517/1 and EP/P018874/1), the Leverhulme Trust (RPG-2014-221), and Science Foundation Ireland (Grant 12/IA/1414) for funding and the EPSRC for additional studentship support. We acknowledge the ISIS pulsed neutron and muon source and the Diamond Light Source Ltd. (EE13284 and EE18786) and the ESRF for the award of beam time. We thank Dr. R I. Smith for assistance on the neutron beamlines, Dr. A. Baker and Dr. C. Murray for support on III, and Dr. C. Curls for support on ID31. ;			Approved	Most recent IF: 4.857
	Call Number	UA @ admin @ c:irua:159426			Serial	5253
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	Author	Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J.
	Title	Interstitial defects in the van der Waals gap of Bi₂Se₃			Type	A1 Journal article
	Year	2019	Publication	Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online)	Abbreviated Journal	Acta Crystallogr B
	Volume	75	Issue	4	Pages	717-732
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000480512600024	Publication Date	2019-08-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2052-5206	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.032	Times cited		Open Access
	Notes	University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. 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 the FWO-Vlaanderen and the Flemish Government-department EWI.			Approved	Most recent IF: 2.032
	Call Number	EMAT @ emat @c:irua:161847			Serial	5295
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	Author	Cagnetta, C.; Saerens, B.; Meerburg, F.A.; Decru, S.O.; Broeders, E.; Menkveld, W.; Vandekerckhove, T.G.L.; De Vrieze, J.; Vlaeminck, S.E.; Verliefde, A.R.D.; De Gusseme, B.; Weemaes, M.; Rabaey, K.
	Title	High-rate activated sludge systems combined with dissolved air flotation enable effective organics removal and recovery			Type	A1 Journal article
	Year	2019	Publication	Bioresource technology	Abbreviated Journal
	Volume	291	Issue		Pages	121833
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	High-rate activated sludge (HRAS) systems typically generate diluted sludge which requires further thickening prior to anaerobic digestion (AD), besides the need to add considerable coagulant and flocculant for the solids separation. As an alternative to conventional gravitational settling, a dissolved air flotation (DAF) unit was coupled to a HRAS system or a high-rate contact stabilization (HiCS) system. The HRAS-DAF system allowed up to 78% removal of the influent solids, and the HiCS-DAF 67%. Both were within the range of values typically obtained for HRAS-settler systems, albeit at a lower chemical requirement. The separated sludge had a high concentration of up to 47 g COD L−1, suppressing the need of further thickening before AD. Methanation tests showed a biogas yield of up to 68% on a COD basis. The use of a DAF separation system can thus enable direct organics removal at high sludge concentration and with low chemical needs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000480326200048	Publication Date	2019-07-17
	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		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:161098			Serial	8036
Permanent link to this record



	Author	Buyle, M.; Audenaert, A.; Billen, P.; Boonen, K.; Van Passel, S.
	Title	The future of Ex-Ante LCA? Lessons learned and practical recommendations			Type	A1 Journal article
	Year	2019	Publication	Sustainability	Abbreviated Journal	Sustainability-Basel
	Volume	11	Issue	19	Pages	5456
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Biochemical Wastewater Valorization & Engineering (BioWaVE); Energy and Materials in Infrastructure and Buildings (EMIB)
	Abstract	Every decision-oriented life cycle assessment (LCAs) entails, at least to some extent, a future-oriented feature. However, apart from the ex-ante LCAs, the majority of LCA studies are retrospective in nature and do not explicitly account for possible future effects. In this review a generic theoretical framework is proposed as a guideline for ex-ante LCA. This framework includes the entire technology life cycle, from the early design phase up to continuous improvements of mature technologies, including their market penetration. The compatibility with commonly applied system models yields an additional aspect of the framework. Practical methods and procedures are categorised, based on how they incorporate future-oriented features in LCA. The results indicate that most of the ex-ante LCAs focus on emerging technologies that have already gone through some research cycles within narrowly defined system boundaries. There is a lack of attention given to technologies that are at a very early development stage, when all options are still open and can be explored at a low cost. It is also acknowledged that technological learning impacts the financial and environmental performance of mature production systems. Once technologies are entering the market, shifts in market composition can lead to substantial changes in environmental performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000493525500315	Publication Date	2019-10-01
	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; WoS full record; WoS citing articles
	Impact Factor	1.789	Times cited	4	Open Access
	Notes	; Thanks to Koen Breemersch for providing insightful and useful comments on draft versions of this manuscript. This work was supported by the University of Antwerp and the Flemish Institute for Technological Research (VITO). The authors also acknowledge anonymous reviewers for the constructive suggestions and the stimulating discussion. ;			Approved	Most recent IF: 1.789
	Call Number	UA @ admin @ c:irua:162571			Serial	6205
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	Author	Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E.
	Title	Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source			Type	A1 Journal article
	Year	2019	Publication	Frontiers of Chemical Science and Engineering	Abbreviated Journal	Front Chem Sci Eng
	Volume	13	Issue	2	Pages	324-329
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000468848400009	Publication Date	2019-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-0179	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.712	Times cited	3	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.712
	Call Number	UA @ admin @ c:irua:160278			Serial	5276
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	Author	Brandenburg, R.; Bogaerts, A.; Bongers, W.; Fridman, A.; Fridman, G.; Locke, B.R.; Miller, V.; Reuter, S.; Schiorlin, M.; Verreycken, T.; Ostrikov, K.K.
	Title	White paper on the future of plasma science in environment, for gas conversion and agriculture			Type	A1 Journal article
	Year	2019	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	16	Issue	1	Pages	1700238
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Climate change, environmental pollution control, and resource utilization efficiency, as well as food security, sustainable agriculture, and water supply are among the main challenges facing society today. Expertise across different academic fields, technologies,anddisciplinesisneededtogeneratenewideastomeetthesechallenges. This “white paper” aims to provide a written summary by describing the main aspects and possibilities of the technology. It shows that plasma science and technology can make significant contributions to address the mentioned issues. The paper also addresses to people in the scientific community (inside and outside plasma science) to give inspiration for further work in these fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000455413600004	Publication Date	2018-07-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1612-8850	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.846	Times cited	19	Open Access	Not_Open_Access
	Notes	This paper is a result of the PlasmaShape project, supported by funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 316216. During this project, young scientists and renowned and outstanding scientists collaborated in the development of a political-scientific consensus paper as well as six scientific, strategic white papers. In an unique format core themes such as energy, optics and glass, medicine and hygiene, aerospace and automotive, plastics and textiles, environment and agriculture and their future development were discussed regarding scientific relevance and economic impact. We would like to thank our colleagues from 18 nations from all over the world (Australia, Belgium, Czech Republic, PR China, France, Germany, Great Britain, Italy, Japan, The Netherlands, Poland, Romania, Russia, Slovakia, Slovenia, Sweden, Switzerland, USA) who have participated both workshops of Future in Plasma Science I and II in Greifswald in 2015/2016. The valuable contribution of all participants during the workshops, the intensive cooperation between the project partners, and the comprehensive input of all working groups of Future in Plasma Science was the base for the present paper. Kindly acknowledged is the support of graphical work by C. Desjardins and K. Drescher.			Approved	Most recent IF: 2.846
	Call Number	PLASMANT @ plasmant @UA @ admin @ c:irua:156389			Serial	5146
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	Author	Boyat, X.; Ballat-Durand, D.; Marteau, J.; Bouvier, S.; Favergeon, J.; Orekhov, A.; Schryvers, D.
	Title	Interfacial characteristics and cohesion mechanisms of linear friction welded dissimilar titanium alloys: Ti–5Al–2Sn–2Zr–4Mo–4Cr (Ti17) and Ti–6Al–2Sn–4Zr–2Mo (Ti6242)			Type	A1 Journal article
	Year	2019	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	158	Issue		Pages	109942
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A detailed microstructural examination endeavoring to understand the interfacial phenomena yielding to cohesion in solid-state assembling processes was performed. This study focuses on the transition zone of a dissimilar titanium alloy joint obtained by Linear Friction Welding (LFW) the β-metastable Ti17 to the near-α Ti6242. The transition zone delimitating both alloys is characterized by a sharp microstructure change from acicular HCP (Hexagonal Close-Packed) α′ martensitic laths in the Ti6242 to equiaxed BCC β (Body-Centered Cubic) subgrains in the Ti17; these α′ plates were shown to precipitate within prior-β subgrains remarkably more rotated than the ones formed in the Ti17. Both α′ and β microstructures were found to be intermingled within transitional subgrains demarcating a limited gradient from one chemical composition to the other. These peculiar interfacial grains revealed that the cohesive mechanisms between the rubbing surfaces occurred in the single-phase β domain under severe strain and high-temperature conditions. During the hot deformation process, the mutual migration of the crystalline interfaces from one material to another assisted by a continuous dynamic recrystallization process was identified as the main adhesive mechanism at the junction zone. The latter led to successful cohesion between the rubbing surfaces. Once the reciprocating motion stopped, fast cooling caused both materials to experience either a βlean→α′ or βlean→βmetastable transformation in the interfacial zone depending on their local chemical composition. The limited process time and the subsequent hindered chemical homogenization at the transition zone led to retaining the so-called intermingled α’/βm subgrains constituting the border between both Ti-alloys.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000503314000018	Publication Date	2019-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1044-5803	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.714	Times cited		Open Access
	Notes	The authors gratefully acknowledge the financial support of the French National Research Agency (ANR) through the OPTIMUM ANR- 14-CE27-0017 project. The authors would also like to thank the Hautsde- France Region and the European Regional Development Fund (ERDF) 2014/2020 for the co-funding of this work. The authors would also like to thank ACB for providing LFW samples as well as Airbus for their technical support.			Approved	Most recent IF: 2.714
	Call Number	EMAT @ emat @c:irua:165084			Serial	5441
Permanent link to this record



	Author	Bouwmeester, R.L.; de Hond, K.; Gauquelin, N.; Verbeeck, J.; Koster, G.; Brinkman, A.
	Title	Stabilization of the Perovskite Phase in the Y-Bi-O System By Using a BaBiO₃ Buffer Layer			Type	A1 Journal Article
	Year	2019	Publication	Physica Status Solidi-Rapid Research Letters	Abbreviated Journal	Phys Status Solidi-R
	Volume	13	Issue	7	Pages	1970028
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	A topological insulating phase has theoretically been predicted for the thermodynamically unstable perovskite phase of YBiO3. Here, it is shown that the crystal structure of the Y-Bi-O system can be controlled by using a BaBiO3 buffer layer. The BaBiO3 film overcomes the large lattice mismatch with the SrTiO3 substrate by forming a rocksalt structure in between the two perovskite structures. Depositing an YBiO3 film directly on a SrTiO3 substrate gives a fluorite structure. However, when the Y–Bi–O system is deposited on top of the buffer layer with the correct crystal phase and comparable lattice constant, a single oriented perovskite structure with the expected lattice constants is observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2019-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6254	ISBN		Additional Links
	Impact Factor	3.032	Times cited		Open Access
	Notes	The work at the University of Twente is financially supported by NWO through a VICI grant. N.G. and J.V. acknowledge financial support from the GOA project Solarpaint of the University of Antwerp. The microscope used for this experiment has been partially financed by the Hercules Fund from the Flemish Government. L. Ding is acknowledge for his help with the GPA analysis.			Approved	Most recent IF: 3.032
	Call Number	EMAT @ emat @			Serial	5358
Permanent link to this record



	Author	Bouwmeester, R.L.; de Hond, K.; Gauquelin, N.; Verbeeck, J.; Koster, G.; Brinkman, A.
	Title	Stabilization of the perovskite phase in the Y-Bi-O system by using a BaBiO₃ buffer layer			Type	A1 Journal article
	Year	2019	Publication	Physica status solidi: rapid research letters	Abbreviated Journal
	Volume	13	Issue	7	Pages	1800679
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A topological insulating phase has theoretically been predicted for the thermodynamically unstable perovskite phase of YBiO3. Here, it is shown that the crystal structure of the Y-Bi-O system can be controlled by using a BaBiO3 buffer layer. The BaBiO3 film overcomes the large lattice mismatch of 12% with the SrTiO3 substrate by forming a rocksalt structure in between the two perovskite structures. Depositing an YBiO3 film directly on a SrTiO3 substrate gives a fluorite structure. However, when the Y-Bi-O system is deposited on top of the buffer layer with the correct crystal phase and comparable lattice constant, a single oriented perovskite structure with the expected lattice constants is observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000477671800005	Publication Date	2019-03-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6254	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	11	Open Access
	Notes	The work at the University of Twente is financially supported by NWO through a VICI grant. N.G. and J.V. acknowledge financial support from the GOA project “Solarpaint” of the University of Antwerp. The microscope used for this experiment has been partially financed by the Hercules Fund from the Flemish Government. L. Ding is acknowledge for his help with the GPA analysis.			Approved	no
	Call Number	UA @ admin @ c:irua:181236			Serial	6889
Permanent link to this record



	Author	Boumahdi, M.; El Amrani, C.; Denys, S.
	Title	An innovative air purification method and neural network algorithm applied to urban streets			Type	A1 Journal article
	Year	2019	Publication	International journal of embedded and real-time communication systems	Abbreviated Journal
	Volume	10	Issue	4	Pages	1-19
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In the present work, multiphysics modeling was used to investigate the feasibility of a photocatalysis-based outdoor air purifying solution that could be used in high polluted streets, especially street canyons. The article focuses on the use of a semi-active photocatalysis in the surfaces of the street as a solution to remove anthropogenic pollutants from the air. The solution is based on lamellae arranged horizontally on the wall of the street, coated with a photocatalyst (TiO2), lightened with UV light, with a dimension of 8 cm × 48 cm × 1 m. Fans were used in the system to create airflow. A high purification percentage was obtained. An artificial neural network (ANN) was used to predict the optimal purification method based on previous simulations, to design purification strategies considering the energy cost. The ANN was used to forecast the amount of purified with a feed-forward neural network and a backpropagation algorithm to train the model.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2019-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-5225-7199-5	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:162595			Serial	8103
Permanent link to this record



	Author	Bottari, F.; Moro, G.; Sleegers, N.; Florea, A.; Cowen, T.; Piletsky, S.; van Nuijs, A.L.N.; De Wael, K.
	Title	Electropolymerized o-phenylenediamine on graphite promoting the electrochemical detection of nafcillin			Type	A1 Journal article
	Year	2019	Publication	Electroanalysis	Abbreviated Journal	Electroanal
	Volume	32	Issue	32	Pages	135-141
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
	Abstract	By combining molecular modelling and electrochemistry we envision the creation of modified electrodes tailored for a more sensitive and selective detection of a single analyte. In this study we report on a graphite screen printed electrode modified with electropolymerized o-phenylenediamine, selected by rational design, which promotes the detection of nafcillin (NAF), an antibiotic. Parameters such as monomer concentration, pH and number of electropolymerization cycles were optimized to obtain the highest current signal for the target upon amperometric detection. NAF identification was based on the redox process at +1.1 V (vs pseudo Ag), ascribed to the oxidation of the C-7 side chain. With the optimized modification protocol, a two-fold increase in nafcillin signal could be obtained: the calibration plot in 0.1 M Britton-Robinson buffer pH 4 showed a limit of detection of 80 nM with improved sensitivity and reproducibility (RSD<5 %) compared to the detection at non-modified electrodes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000482596300001	Publication Date	2019-08-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1040-0397	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.851	Times cited	1	Open Access
	Notes	; FB and GM devised the study and performed the experiments, FB wrote the original draft of the paper and analysed the data, NS and AvN performed the MS experiments, AF helped with the optimization of the protocol and correction of the first draft, TC and SP performed the rational monomer design, KdW supervised the work and corrected the final draft. All authors gave their suggestions and corrections to the final version of the paper. This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO). ;			Approved	Most recent IF: 2.851
	Call Number	UA @ admin @ c:irua:162870			Serial	5601
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	Author	Bottari, F.
	Title	Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics			Type	Doctoral thesis
	Year	2019	Publication		Abbreviated Journal
	Volume		Issue		Pages	205 p.
	Keywords	Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	In the broad context of food and environmental safety, the development of selective and sensitive analytical tools for the detection of β-lactam antibiotics in milk down to their Maximum Residues Limits (MRL), is still an open challenge. To address this need, the design of new bio(mimetic) electrochemical sensors was investigated in the present thesis. These sensors are based on the intrinsic electrochemistry of β-lactam antibiotics, taking advantages of the characteristic electrochemical fingerprints of the core structures and redox active side chain groups. The electrochemistry of nafcillin (NAF) and the isoxazolyl penicillins (ISOXA) was investigated, identifying the peculiar electrochemical fingerprint of each antibiotic, proving that it is possible to use electrochemistry for the selective detection of these antimicrobial drugs. Once verified the applicability of a direct detection, different sensor configurations were tested mainly focusing on: – the selection and validation of aptamers to be used as bioreceptors in the development of β-lactam biosensors; – the design of biomimetic receptors, particularly molecularly imprinted polymers, and other synthetic electrode modifiers compatible with a direct detection strategy. The selection of novel aptamers was performed following both a traditional FluMag SELEX protocol and a novel variant based on graphene oxide (GO). First results with the modified GO-SELEX are promising but more work still needs to be done to validate this novel approach. The few aptamers for β-lactam antibiotics, already reported in literature by other groups, were poorly characterized up to now. For this reason, a multi-analytical characterization protocol for aptamer binding studies was optimized and validated by focusing on aptamer AMP17 against ampicillin. The protocol combines ITC, nESI-MS and 1H-NMR. Very striking was the fact that the aptamer sequence did not show any sign of specific binding for its target, even if it was used in many other studies in the past. This thesis now offers a validated protocol for testing the affinity and binding capabilities of aptamer sequences. In parallel, the functionalization of the electrode surface with polymer modifiers was studied. In particular we optimized a MIP electrochemical sensor based on 4-aminobenzoic acid for the direct electrochemical detection of CFQ. Another approach was tested based on the intrinsic affinity of NAF for an oPD electropolymerized film on the electrode surface. Both sensors were found to be sensitive and selective for the detection of CFQ and NAF at MRLs in buffer solutions. The proposed protocols are robust and promising for technological transfer. Lastly, the research activity was directed towards milk sample analysis following two parallel routes: the development of a pre-treatment protocol for raw milk, based on solvent addition (ACN or ISO), and the study of β-lactam antibiotics electrochemistry in undiluted raw milk with addition of KNO3 as supporting electrolyte. Both approaches gave encouraging results and the detection of NAF, CFQ and CFU in the micromolar range was achieved, with the second approach in undiluted raw milk.
	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	no
	Call Number	UA @ admin @ c:irua:164996			Serial	7557
Permanent link to this record



	Author	Borah, R.; Verbruggen, S.W.
	Title	Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control			Type	A1 Journal article
	Year	2019	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	123	Issue	50	Pages	30594-30603
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000503919500061	Publication Date	2019-11-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited		Open Access
	Notes				Approved	Most recent IF: 4.536
	Call Number	UA @ admin @ c:irua:164530			Serial	5938
Permanent link to this record



	Author	Bogaerts, A.; Zhang, Q.-Z.; Zhang, Y.-R.; Van Laer, K.; Wang, W.
	Title	Burning questions of plasma catalysis: Answers by modeling			Type	A1 Journal article
	Year	2019	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	337	Issue		Pages	3-14
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis is promising for various environmental, energy and chemical synthesis applications, but the underlying mechanisms are far from understood. Modeling can help to obtain a better insight in these mechanisms. Some burning questions relate to the plasma behavior inside packed bed reactors and whether plasma can penetrate into catalyst pores. In this paper, we try to provide answers to these questions, by means of both ﬂuid modeling and particle-in-cell/Monte Carlo collision simulations. We present a short overview of recent ﬁndings obtained in our group by means of modeling, i.e., the enhanced electric ﬁeld near the contact points and the streamer propagation through the packing in packed bed reactors, as well as the plasma behavior in catalyst pores, to determine the minimum pore size in which plasma streamers can penetrate.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000482179500002	Publication Date	2019-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	7	Open Access
	Notes	University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc”; “CryoEtch” within Horizon2020, 657304 702604 ;We would like to thank H.-H. Kim for performing experiments to validate the modeling of streamer propagation in packed bed reactors. We acknowledge ﬁnancial support from the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc” and “CryoEtch” within Horizon2020 (Grant Nos. 657304 and 702604).			Approved	Most recent IF: 4.636
	Call Number	PLASMANT @ plasmant @c:irua:161775			Serial	5356
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	Author	Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J.
	Title	Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling			Type	A1 Journal article
	Year	2019	Publication	Frontiers of Chemical Science and Engineering	Abbreviated Journal	Front Chem Sci Eng
	Volume		Issue		Pages
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma is gaining increasing interest for cancer treatment, but the underlying mechanisms are not yet fully understood. Using computer simulations at the molecular level, we try to gain better insight in how plasma-generated reactive oxygen and nitrogen species (RONS) can penetrate through the cell membrane. Speciﬁcally, we compare the permeability of various (hydrophilic and hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation, and how it is hampered by higher concentrations of cholesterol in the cell membrane, and we illustrate the much higher permeability of H2O2 through aquaporin channels. Both mechanisms may explain the selective cytotoxic effect of plasma towards cancer cells. Finally, we also discuss the synergistic effect of plasma-induced oxidation and electric ﬁelds towards pore formation. Keywords plasma medicine, cancer treatment, computer modelling, cell membrane, reactive oxygen and nitrogen species
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000468848400004	Publication Date	2019-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2095-0179	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.712	Times cited	5	Open Access	Not_Open_Access: Available from 23.05.2020
	Notes	We acknowledge ﬁnancial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions.			Approved	Most recent IF: 1.712
	Call Number	PLASMANT @ plasmant @UA @ admin @ c:irua:159977			Serial	5172
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	Author	Bogaerts, A.
	Title	Editorial Catalysts: Special Issue on Plasma Catalysis			Type	Editorial
	Year	2019	Publication	Catalysts	Abbreviated Journal	Catalysts
	Volume	9	Issue	2	Pages	196
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, and CH4 conversion into higher hydrocarbons or oxygenates [...]
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000460702200090	Publication Date	2019-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2073-4344	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.082	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.082
	Call Number	PLASMANT @ plasmant @UA @ admin @ c:irua:159153			Serial	5166
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	Author	Blondiaux, E.; Bomon, J.; Smolen, M.; Kaval, N.; Lemière, F.; Sergeyev, S.; Diels, L.; Sels, B.; Maes, B.U.W.
	Title	Bio-based aromatic amines from lignin-derived monomers			Type	A1 Journal article
	Year	2019	Publication	ACS Sustainable Chemistry and Engineering	Abbreviated Journal
	Volume	7	Issue	7	Pages	6906-6916
	Keywords	A1 Journal article; Engineering sciences. Technology; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	A new approach to synthesize valuable 3,4-dialkoxyanilines and alkyl propionates from lignin-derived 4-propylguaiacol and -catechol with overall isolated yields up to 65% has been described. The strategy is based on the introduction of nitrogen via a Beckmann rearrangement. Amino introduction therefore coincides with a C-defunctionalization reaction; overall a replacement of the propyl chain by an amino group is obtained. The process only requires cheap bulk chemicals as reagents/reactants and does not involve column chromatography to purify the reaction products. Furthermore, all carbon atoms from the biorenewable lignin-derived monomers are transformed into valuable compounds. Greenness was assessed by performing a Green Metrics analysis on two dialkoxyanilines. A comparison was made with literature routes for these compounds starting from a petrochemical substrate.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000463462100050	Publication Date	2019-02-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2168-0485	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:159378			Serial	7556
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	Author	Blommaerts, N.; Vanrompay, H.; Nuti, S.; Lenaerts, S.; Bals, S.; Verbruggen, S.W.
	Title	Unraveling Structural Information of Turkevich Synthesized Plasmonic Gold-Silver Bimetallic Nanoparticles			Type	A1 Journal article
	Year	2019	Publication	Small	Abbreviated Journal	Small
	Volume	15	Issue	15	Pages	1902791
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	For the synthesis of gold-silver bimetallic nanoparticles, the Turkevich method has been the state-of-the-art method for several decades. It has been presumed that this procedure results in a homogeneous alloy, although this has been debatable for many years. In this work, it is shown that neither a full alloy, nor a perfect core-shell particle is formed but rather a core-shell-like particle with altering metal composition along the radial direction. In-depth wet-chemical experiments are performed in combination with advanced transmission electron microscopy, including EDX tomography, and Finite Element Method modeling to support the observations. From the electron tomography results, the core-shell structure could be clearly visualized and the spatial distribution of gold and silver atoms could be quantified. Theoretical simulations are performed to demonstrate that even though UV-Vis spectra show only one plasmon band, this still originates from core-shell type structures. The simulations also indicate that the core-shell morphology does not so much affect the location of the plasmon band, but mainly results in significant band broadening. Wet-chemistry experiments provide the evidence that the synthesis pathway starts with gold enriched alloy cores, and later on in the synthesis mainly silver is incorporated to end up with a silver enriched alloy shell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000482637100001	Publication Date	2019-08-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1613-6810	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.643	Times cited	26	Open Access	OpenAccess
	Notes	Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 1S32617N G.0369.15N G.0381.16N ;			Approved	Most recent IF: 8.643
	Call Number	EMAT @ emat @c:irua:161636			Serial	5290
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	Author	Blommaerts, N.
	Title	Plasmonic core shell nanoparticles : from synthesis to photocatalytic applications			Type	Doctoral thesis
	Year	2019	Publication		Abbreviated Journal
	Volume		Issue		Pages	153 p.
	Keywords	Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Het gebruik van plasmon-actieve nanodeeltjes heeft de laatste 10 jaar zeer veel interesse gewekt bij onderzoekers in verschillende toepassingsdomeinen zoals fotokatalyse of oppervlakte versterkte Raman spectroscopie. Er is echter een grote limiterende factor bij het gebruik van edelmetaal nanodeeltjes zoals goud en zilver en dat is de stabiliteit. Deze oxideren en aggregeren snel, zeker in oxidatieve omgeving zoals in lucht. Een interessante aanpak om plasmon-actieve nanodeeltjes te stabiliseren, is om ze te omgeven in een schil, met andere woorden om een kern-schil nanodeeltje te vormen. Er zijn een heel aantal verschillende manieren waarop kern-schil nanodeeltjes gesynthetiseerd kunnen worden. In eerste instantie werden metaal nanodeeltjes omgeven door een (dunne) TiO2 laag. Afhankelijk van de hoeveelheid TiO2 precursor kon de dikte van de laag gecontroleerd worden tot enkele nanometers dik. De stalen werden getest voor de fotokatalytische afbraak van een vaste laag stearinezuur waarbij toevoeging van 2 wt% metaal@TiO2 op P25 leidde tot een significante verbetering in afbraakefficiëntie in vergelijking met zuiver P25. Een andere manier voor het stabiliseren van metaal nanodeeltjes is door ze te omgeven met een polymeerschil. Op deze manier kon de laagdikte gecontroleerd worden met sub-nanometer controle wat een zeer belangrijke factor is voor de hoeveelheid near-field versterking dat buiten de polymeer schil kan gaan. Een XTT test werd uitgevoerd om te bepalen wat de zuurstofactivatie snelheid was van goud en zilver (en goud-zilver bimetallische) nanodeeltjes, al dan niet omgeven door een (niet-)geleidende polymeer laag. Wanneer de stalen gecoat werden met vier niet-geleidende polymeerlagen zakte de zuurstofactivatie nagenoeg tot nul. Aan de andere kant, als goud nanodeeltjes werden omgeven door een geleidende schil was er nog steeds zuurstofactivatie, hoewel lager dan in het geval van goud zonder laag. Het laatste deel van deze thesis focuste meer op mogelijke toepassingen in luchtzuivering. In dit werk werd een glazen buis, gecoat aan de binnenkant met (Ag@polymer gemodificeerd) TiO2, als een spiraal rond een UVA lamp gewikkeld. De geoptimaliseerde spiraalreactor werd dan vergeleken met een conventionele cilindervormige fotoreactor, met dezelfde dimensies en totale katalysatorbelading, over een grote range aan experimentele condities. Uit de resultaten bleek dat de spiraalreactor significant betere afbraakefficiënties vertoonde in vergelijking met de conventionele cilindervormige reactor over een grote range aan debieten. Een adsorptiestap in combinatie met de geoptimaliseerde spiraalreactor zou kunnen leiden tot een zeer krachtige luchtzuiveringstechnologie.
	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	no
	Call Number	UA @ admin @ c:irua:164835			Serial	8389
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