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	Author	Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.;
	Title	{110}-Layered B-cation ordering in the anion-deficient perovskite Pb_2.4Ba_2.6Fe₂Sc₂TiO₁₃ with the crystallographic shear structure			Type	A1 Journal article
	Year	2015	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	44	Issue	44	Pages	10753-10762
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000355701000026	Publication Date	2015-01-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9226;1477-9234;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.029	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 4.029; 2015 IF: 4.197
	Call Number	c:irua:127001			Serial	22
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	Author	Romaguera, A.R. de C.; Doria, M.M.; Peeters, F.M.
	Title	Vortex patterns in a superconducting-ferromagnetic rod			Type	A1 Journal article
	Year	2010	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	470	Issue	19	Pages	871-873
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A superconducting rod with a magnetic moment on top develops vortices obtained here through 3D calculations of the GinzburgLandau theory. The inhomogeneity of the applied field brings new properties to the vortex patterns that vary according to the rod thickness. We find that for thin rods (disks) the vortex patterns are similar to those obtained in presence of a homogeneous magnetic field instead because they consist of giant vortex states. For thick rods novel patterns are obtained as vortices are curve lines in space that exit through the lateral surface.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000282454400039	Publication Date	2010-03-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 1.404; 2010 IF: 1.415
	Call Number	UA @ lucian @ c:irua:85035			Serial	3878
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	Author	Verberck, B.; Nikolaev, A.V.; Michel, K.H.
	Title	Orientational charge density waves and the metal-insulator transition in polymerized KC₆₀			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	71	Issue	16	Pages	165117-11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000228763100035	Publication Date	2005-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:104076			Serial	2514
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	Author	Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M.
	Title	MnFe_0.5Ru_0.5O₃ : an above-room-temperature antiferromagnetic semiconductor			Type	A1 Journal article
	Year	2019	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	7	Issue	3	Pages	509-522
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000458780300004	Publication Date	2018-11-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526; 2050-7534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.256	Times cited	1	Open Access	Not_Open_Access
	Notes	; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ;			Approved	Most recent IF: 5.256
	Call Number	UA @ admin @ c:irua:157564			Serial	5264
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	Author	Kahraman, Z.; Yagmurcukardes, M.; Sahin, H.
	Title	Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures			Type	A1 Journal article
	Year	2020	Publication	Journal Of Materials Research	Abbreviated Journal	J Mater Res
	Volume	35	Issue	11	Pages	1397-1406
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000540764300005	Publication Date	2020-04-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0884-2914	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.7	Times cited	1	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ;			Approved	Most recent IF: 2.7; 2020 IF: 1.673
	Call Number	UA @ admin @ c:irua:170185			Serial	6525
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	Author	Belov, I.; Paulussen, S.; Bogaerts, A.
	Title	Pressure as an additional control handle for non-thermal atmospheric plasma processes			Type	A1 Journal article
	Year	2017	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	14	Issue	11	Pages	1700046
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	above atmospheric) pressure regimes (1–3.5 bar). It was demonstrated that these operational conditions significantly influence both the discharge dynamics and the process efficiencies of O2 and CO2 discharges. For the case of the O2 DBD, the pressure rise results in the amplification of the discharge current, the appearance of emission lines of the metal electrode material (Fe, Cr, Ni) in the optical emission spectrum and the formation of a granular film of the erosion products (10–300 nm iron oxide nanoparticles) on the reactor walls. Somewhat similar behavior was observed also for the CO2 DBD. The discharge current, the relative intensity of the CO Angstrom band measured by Optical Emission Spectroscopy (OES) and the CO2 conversion rates could be stimulated to some extent by the rise in pressure. The optimal conditions for the O2 DBD (P = 2 bar) and the CO2 DBD (P = 1.5 bar) are demonstrated. It can be argued that the dynamics of the microdischarges (MD) define the underlying process of this behavior. It could be demonstrated that the pressure increase stimulates the formation of more intensive but fewer MDs. In this way, the operating pressure can represent an additional tool to manipulate the properties of the MDs in a DBD, and as a result also the discharge performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000415339700011	Publication Date	2017-06-07
	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	1	Open Access	Not_Open_Access
	Notes	Seventh Framework Programme, Grant Agreement № 606889 (RAPID – Reactive Atmospheric Plasma processIng – Education Network) ;			Approved	Most recent IF: 2.846
	Call Number	PLASMANT @ plasmant @c:irua:147024			Serial	4763
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	Author	Van Hal, M.; Verbruggen, S.W.; Yang, X.-Y.; Lenaerts, S.; Tytgat, T.
	Title	Image analysis and in situ FTIR as complementary detection tools for photocatalytic soot oxidation			Type	A1 Journal article
	Year	2019	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	367	Issue	367	Pages	269-277
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Air pollution, especially particulate matter (PM), is an increasingly urgent problem in urban environments, causing both short and long-term health problems, climate interference and aesthetical problems due to building fouling. Photocatalysis has been shown to be a possible solution to that end. In this work two complementary detection methods for photocatalytic soot oxidation are studied and their advantages and disadvantages are discussed. First, a colour-based digital image analysis method is drastically improved towards an accurate, detailed and straightforward detection tool, that enables simultaneous measurement of the degradation of different grades of soot fouling (for instance a shallow soot haze versus condensed soot deposits). In the next part, a second soot oxidation detection method is presented based on in situ FTIR spectroscopy. This method has the additional advantage of providing more insight into the photocatalytic soot degradation process by monitoring both gaseous and adsorbed intermediates as well as reaction products while the reactions are ongoing. As an illustration, the proposed detection strategies were applied on four different commercially available and synthesized photocatalytic materials. The digital image analysis showed that P25 (Evonik) is the fastest photocatalytic soot degrader of all studied materials for both a uniform soot haze as well as concentrated soot spots. Application of the in situ method showed that for all studied materials adsorbed formate-related surface species were formed and that commercially available ZnO nanopowder has the highest specificity towards complete mineralization into CO2. With this we aim to provide a set of complementary experimental tools for the convenient, reliable, realistic and standardised detection of photocatalytic soot degradation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000461380400028	Publication Date	2019-02-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 1873-3212	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	1	Open Access
	Notes	; M.V.H. acknowledges the Research Foundation-Flanders (FWO) for a doctoral fellowship. M.V.H., S.W.V., S.L. and X-Y.Y. thank the FWO and the National Natural Science Foundation of China (NSFC) for funding an international collaboration project. Mr. M. Minjauw is greatly thanked for his help in the AFM measurements. ;			Approved	Most recent IF: 6.216
	Call Number	UA @ admin @ c:irua:157789			Serial	5958
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	Author	Gkanatsiou, A.; Lioutas, C.B.; Frangis, N.; Polychroniadis, E.K.; Prystawko, P.; Leszczynski, M.; Altantzis, T.; Van Tendeloo, G.
	Title	Influence of 4H-SiC substrate miscut on the epitaxy and microstructure of AlGaN/GaN heterostructures			Type	A1 Journal article
	Year	2019	Publication	Materials science in semiconductor processing	Abbreviated Journal	Mat Sci Semicon Proc
	Volume	91	Issue		Pages	159-166
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	AlGaN/GaN heterostructures were grown on “on-axis” and 2° off (0001) 4H-SiC substrates by metalorganic vapor phase epitaxy (MOVPE). Structural characterization was performed by transmission electron microscopy. The dislocation density, being greater in the on-axis case, is gradually reduced in the GaN layer and is forming dislocation loops in the lower region. Steps aligned along [11̅00] in the off-axis case give rise to simultaneous defect formation. In the on-axis case, an almost zero density of steps is observed, with the main origin of defects probably being the orientation mismatch at the grain boundaries between the small not fully coalesced AlN grains. V-shaped formations are observed in the AlN nucleation layer, but are more frequent in the off-axis case, probably enhanced by the presence of steps. These V-shaped formations are completely overgrown by the GaN layer, during the subsequent deposition, presenting AlGaN areas in the walls of the defect, indicating an interdiffusion between the layers. Finally, at the AlGaN/GaN heterostructure surface in the on-axis case, V-shapes are observed, with the AlN spacer and AlGaN (21% Al) thickness on relaxed GaN exceeding the critical thickness for relaxation. On the other hand, no relaxation in the form of V-shape creation is observed in the off-axis case, probably due to the smaller AlGaN thickness (less than 21% Al). The AlN spacer layer, grown in between the heterostructure, presents a uniform thickness and clear interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000454537700022	Publication Date	2018-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1369-8001	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.359	Times cited	1	Open Access	Not_Open_Access
	Notes	Funding: This work was supported by the IKY Fellowships of Excellence for Postgraduate Studies in Greece-SIEMENS Program; the Greek General Secretariat for Research and Technology, contract SAE 013/8–2009SE 01380012; and the JU ENIAC Project LAST POWER Large Area silicon carbide Substrates and heteroepitaxial GaN for POWER device applications [grant number 120218]. Also part of the research leading to these results has received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a post-doctoral grant.			Approved	Most recent IF: 2.359
	Call Number	EMAT @ emat @UA @ admin @ c:irua:156200			Serial	5149
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	Author	Hollevoet, L.; Jardali, F.; Gorbanev, Y.; Creel, J.; Bogaerts, A.; Martens, J.A.
	Title	Towards green ammonia synthesis through plasma-driven nitrogen oxidation and catalytic reduction			Type	A1 Journal article
	Year	2020	Publication	Angewandte Chemie-International Edition	Abbreviated Journal	Angew Chem Int Edit
	Volume		Issue		Pages
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Ammonia is an industrial large-volume chemical, with its main application in fertilizer production. It also attracts increasing attention as a green-energy vector. Over the past century, ammonia production has been dominated by the Haber-Bosch process, in which a mixture of nitrogen and hydrogen gas is converted to ammonia at high temperatures and pressures. Haber-Bosch processes with natural gas as the source of hydrogen are responsible for a significant share of the global CO(2)emissions. Processes involving plasma are currently being investigated as an alternative for decentralized ammonia production powered by renewable energy sources. In this work, we present the PNOCRA process (plasma nitrogen oxidation and catalytic reduction to ammonia), combining plasma-assisted nitrogen oxidation and lean NO(x)trap technology, adopted from diesel-engine exhaust gas aftertreatment technology. PNOCRA achieves an energy requirement of 4.6 MJ mol(-1)NH(3), which is more than four times less than the state-of-the-art plasma-enabled ammonia synthesis from N(2)and H(2)with reasonable yield (>1 %).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000580489400001	Publication Date	2020-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851; 0570-0833	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	16.6	Times cited	1	Open Access
	Notes	; We gratefully acknowledge the financial support by the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108). J.A.M. and A.B. acknowledge the Flemish Government for long-term structural funding (Methusalem). ;			Approved	Most recent IF: 16.6; 2020 IF: 11.994
	Call Number	UA @ admin @ c:irua:173589			Serial	6634
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	Author	De Backer, A.; van den Bos, K.H.W.; Van den Broek, W.; Sijbers, J.; Van Aert, S.
	Title	StatSTEM: An efficient program for accurate and precise model-based quantification of atomic resolution electron microscopy images			Type	P1 Proceeding
	Year	2017	Publication	Journal of physics : conference series T2 – Electron Microscopy and Analysis Group Conference 2017 (EMAG2017), 3-6 July 2017, Manchester, UK	Abbreviated Journal	J. Phys.: Conf. Ser.
	Volume	902	Issue		Pages	012013
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	An efficient model-based estimation algorithm is introduced in order to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for the overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, is investigated. The highest attainable precision is reached even for low dose images. Furthermore, advantages of the model- based approach taking into account overlap between neighbouring columns are highlighted. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000416370700013	Publication Date	2017-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1742-6588	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The authors acknowledge nancial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0374.13N, G.0368.15N, G.0369.15N, WO.010.16N) and a PhD research grant to K H W van den Bos, and a postdoctoral research grant to A De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3). A Rosenauer is acknowledged for providing the STEMsim program.			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:147188			Serial	4764
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	Author	Khalilov, U.; Vets, C.; Neyts, E.C.
	Title	Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs			Type	A1 Journal article
	Year	2019	Publication	Nanoscale Horizons	Abbreviated Journal	Nanoscale Horiz.
	Volume	4	Issue	3	Pages	674-682
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000471816500011	Publication Date	2019-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2055-6756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	Not_Open_Access: Available from 03.01.2020
	Notes	Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters.			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @UA @ admin @ c:irua:159658			Serial	5169
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	Author	Compernolle, T.; Van Passel, S.; Lebbe, L.
	Title	Bioremediation : how to deal with removal efficiency uncertainty? An economic application			Type	A1 Journal article
	Year	2013	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
	Volume	127	Issue		Pages	77-85
	Keywords	A1 Journal article; Economics
	Abstract	Bioremediation is a remediation strategy, which has considerable strength but also certain limitations. Complex and uncertain relationships among biomass, contaminants, and nutrients lead to an uncertain level of removal efficiency. The uncertainty inherent to a bioremediation strategy should be addressed in the remediation selection process. In order to evaluate the bioremediation strategy economically, this study takes into account the reversibility of a decision. A decision tree structures the different remediation strategies, thus giving the possible courses of action open to the decision maker. The option value indicates the importance of having the possibility to reverse a previously made decision. Compared with conventional economic evaluation tools, more information to ground the selection made is revealed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322940100010	Publication Date	2013-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.01	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 4.01; 2013 IF: 3.188
	Call Number	UA @ admin @ c:irua:129868			Serial	6162
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	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	Razzokov, J.; Naderi, S.; van der Schoot, P.
	Title	Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units			Type	A1 Journal article
	Year	2018	Publication	Physical biology	Abbreviated Journal	Phys. Biol.
	Volume	15	Issue	6	Pages	066010
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly. According to our simulations, the β-roll and β-sheet aggregates must be approximately equally stable.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000444467000001	Publication Date	2018-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-3975	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO).			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:153803c:irua:153596			Serial	5050
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	Author	Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G.
	Title	Formation of carbon nitride nanospheres by ion implantation			Type	A1 Journal article
	Year	2007	Publication	Materials chemistry and physics	Abbreviated Journal	Mater Chem Phys
	Volume	103	Issue	2-3	Pages	290-294
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000247715300016	Publication Date	2007-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0254-0584;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.084	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 2.084; 2007 IF: 1.871
	Call Number	UA @ lucian @ c:irua:102670			Serial	1258
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	Author	Benedict, M.G.; Földi, P.; Peeters, F.M.
	Title	Terahertz radiation from crystals of nanomagnets			Type	P1 Proceeding
	Year	2006	Publication	Journal of physics : conference series	Abbreviated Journal
	Volume	36	Issue		Pages	12-17
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract	Certain crystals, consisting of molecules with unusually large spin, exhibit macroscopically observable signatures of quantum tunneling, when a slowly varying external magnetic field is applied parallel to the easy axis of the crystal. Recently it has been observed that jumps in the magnetization are sometimes accompanied by the emission of infrared radiation. We discuss the connection of the tunneling with the electromagnetic transition, and we address the questions: to what extent can the radiation be considered as a collective, superradiant emission, and what is the role played by the cavity in the experiments? Our conclusion is that among the reported experimental coditions the radiation is not superradidance, but rather a maserlike effect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000239847500003	Publication Date	2006-05-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1742-6588;1742-6596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:94695			Serial	3508
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	Author	Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G.
	Title	A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition			Type	A1 Journal article
	Year	2009	Publication	Journal of sol-gel science and technology	Abbreviated Journal	J Sol-Gel Sci Techn
	Volume	49	Issue	3	Pages	373-379
	Keywords	A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
	Abstract	Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.
	Address
	Corporate Author				Thesis
	Publisher	Kluwer	Place of Publication	Dordrecht	Editor
	Language		Wos	000263260100015	Publication Date	2008-12-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0928-0707;1573-4846;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.575	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.575; 2009 IF: 1.393
	Call Number	UA @ lucian @ c:irua:74962			Serial	2941
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	Author	Srivastava, A.; Van Passel, S.; Laes, E.
	Title	Dissecting demand response : a quantile analysis of flexibility, household attitudes, and demographics			Type	A1 Journal article
	Year	2019	Publication	Energy Research and Social Science	Abbreviated Journal
	Volume	52	Issue	52	Pages	169-180
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Demand response (DR) can aid with grid integration of renewables, ensuring security of supply, and reducing generation costs. However, not enough is known about how residential customers’ perceptions of DR shape their response to such programs. This paper offers a deeper understanding of – and reveals the heterogeneity in – this relationship by conducting a quantile regression analysis of a Belgian DR trial, combining data on response with information on household attitudes towards smart appliances. Results overall suggest that improving response requires subtle shifts in electricity consumption behaviour, which can be achieved through changes in user perceptions. Specifically, if customers are inclined to be flexible, a stronger perception of smart appliances as being beneficial can greatly improve response. With those who are less flexible, the cost of smart appliances is a bigger concern. Thus, when designing DR programs, policymakers should aim to promote modest behaviour changes – so as to minimise inconvenience – in customers, by improving awareness on the benefits of smart appliances. Uptake of such DR programs may be improved by explaining the financial benefits or offering incentives to less flexible population segments. Lastly, improving response among older population segments will require a deeper investigation into their concerns.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000468215900016	Publication Date	2019-03-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2214-6296	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited	1	Open Access
	Notes	; This work continued on the results and data of the project Linear that was supported by the Flemish Ministry of Science and organised by the Institute for Science and Technology (IWT). The authors gratefully acknowledge the support extended by Wim Cardinaels at VITO in helping them access the underlying Linear data. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:158910			Serial	6183
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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	Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
	Title	Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures			Type	A1 Journal article
	Year	2021	Publication	2d Materials	Abbreviated Journal	2D Mater
	Volume		Issue		Pages	015018
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000722020100001	Publication Date	2021-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	6.937	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 6.937
	Call Number	UA @ admin @ c:irua:183053			Serial	7036
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	Author	Andelkovic, M.; Rakhimov, K.Y.; Chaves, A.; Berdiyorov, G.R.; Milošević, M.V.
	Title	Wave-packet propagation in a graphene geometric diode			Type	A1 Journal article
	Year	2023	Publication	Physica. E: Low-dimensional systems and nanostructures	Abbreviated Journal
	Volume	147	Issue		Pages	115607-4
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Dynamics of electron wave-packets is studied using the continuum Dirac model in a graphene geometric diode where the propagation of the wave packet is favored in certain direction due to the presence of geometric constraints. Clear rectification is obtained in the THz frequency range with the maximum rectification level of 3.25, which is in good agreement with recent experiments on graphene ballistic diodes. The rectification levels are considerably higher for systems with narrower channels. In this case, the wave packet transmission probabilities and rectification rate also strongly depend on the energy of the incident wave packet, as a result of the quantum nature of energy levels along such channels. These findings can be useful for fundamental understanding of the charge carrier dynamics in graphene geometry diodes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000903737000003	Publication Date	2022-12-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.3	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.3; 2023 IF: 2.221
	Call Number	UA @ admin @ c:irua:193497			Serial	7351
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	Author	Aierken, Y.; Leenaerts, O.; Peeters, F.M.
	Title	First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	23	Pages	235436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000436192300006	Publication Date	2018-06-25
	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	3.836	Times cited	1	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478			Serial	5104
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	Author	Engbarth, M.; Milošević, M.V.; Bending, S.J.; Nasirpouri, F.
	Title	Geometry-guided flux behaviour in superconducting Pb microcrystals			Type	A1 Journal article
	Year	2009	Publication	Journal of physics : conference series	Abbreviated Journal
	Volume	150	Issue	5	Pages	052048
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Electrochemistry offers highly flexible routes to fabrication of a wide variety of mesostructures, including three-dimensional (3D) crystallites, thin films and nanowires. Using this method we have grown various 3D superconducting Pb mesostructures with vastly different morphologies. We present here results on a truncated(half)-icosahedron with a hexagonal base and a tripod structure with a triangular base. Using Hall probe magnetometry we have obtained magnetisation curves for these structures at several temperatures and see evidence of geometry-driven flux entry and exit as well as flux trapping caused by specific sample geometries. We also observe behaviour that we interpret in terms of the formation of giant vortices, bearing in mind that bulk Pb is a type-I superconducting material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos		Publication Date	2009-04-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1742-6588;1742-6596;	ISBN		Additional Links	UA library record
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:106138			Serial	1332
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	Author	Vlasov, E.; Denisov, N.; Verbeeck, J.
	Title	Low-cost electron detector for scanning electron microscope			Type	A1 Journal article
	Year	2023	Publication	HardwareX	Abbreviated Journal	HardwareX
	Volume	14	Issue		Pages	e00413
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Electron microscopy is an indispensable tool for the characterization of (nano) materials. Electron microscopes are typically very expensive and their internal operation is often shielded from the user. This situation can provide fast and high quality results for researchers focusing on e.g. materials science if they have access to the relevant instruments. For researchers focusing on technique development, wishing to test novel setups, however, the high entry price can lead to risk aversion and deter researchers from innovating electron microscopy technology further. The closed attitude of commercial entities about how exactly the different parts of electron microscopes work, makes it even harder for newcomers in this field. Here we propose an affordable, easy-to-build electron detector for use in a scanning electron microscope (SEM). The aim of this project is to shed light on the functioning of such detectors as well as show that even a very modest design can lead to acceptable performance while providing high flexibility for experimentation and customization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001042486000001	Publication Date	2023-03-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2468-0672	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO [Grant No. S000121N]. JV acknowledges funding from the HORIZON-INFRA-2022-TECH-01-01 project IMPRESS [Grant No. 101094299].			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:195886			Serial	7252
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	Author	Vlasov, E.; Skorikov, A.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Verbeeck, J.; Bals, S.
	Title	Secondary electron induced current in scanning transmission electron microscopy: an alternative way to visualize the morphology of nanoparticles			Type	A1 Journal article
	Year	2023	Publication	ACS materials letters	Abbreviated Journal	ACS Materials Lett.
	Volume		Issue		Pages	1916-1921
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Electron tomography (ET) is a powerful tool to determine the three-dimensional (3D) structure of nanomaterials in a transmission electron microscope. However, the acquisition of a conventional tilt series for ET is a time-consuming process and can therefore not provide 3D structural information in a time-efficient manner. Here, we propose surface-sensitive secondary electron (SE) imaging as an alternative to ET for the investigation of the morphology of nanomaterials. We use the SE electron beam induced current (SEEBIC) technique that maps the electrical current arising from holes generated by the emission of SEs from the sample. SEEBIC imaging can provide valuable information on the sample morphology with high spatial resolution and significantly shorter throughput times compared with ET. In addition, we discuss the contrast formation mechanisms that aid in the interpretation of SEEBIC data.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001006191600001	Publication Date	2023-06-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2639-4979	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The funding for this project was provided by European Research Council (ERC Consolidator Grant 815128, REALNANO). J.V. acknowledges the eBEAM project, which is supported by the European Union’s Horizon 2020 research and innovation program under grant agreement no. 101017720 (FET-Proactive EBEAM). L.M.L.-M. acknowledges funding from MCIN/AEI/10.13039/501100011033 (grant # PID2020-117779RB-I00).			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:197004			Serial	8795
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	Author	Craig, T.M.; Kadu, A.A.; Batenburg, K.J.; Bals, S.
	Title	Real-time tilt undersampling optimization during electron tomography of beam sensitive samples using golden ratio scanning and RECAST3D			Type	A1 Journal article
	Year	2023	Publication	Nanoscale	Abbreviated Journal
	Volume	15	Issue	11	Pages	5391-5402
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Electron tomography is a widely used technique for 3D structural analysis of nanomaterials, but it can cause damage to samples due to high electron doses and long exposure times. To minimize such damage, researchers often reduce beam exposure by acquiring fewer projections through tilt undersampling. However, this approach can also introduce reconstruction artifacts due to insufficient sampling. Therefore, it is important to determine the optimal number of projections that minimizes both beam exposure and undersampling artifacts for accurate reconstructions of beam-sensitive samples. Current methods for determining this optimal number of projections involve acquiring and post-processing multiple reconstructions with different numbers of projections, which can be time-consuming and requires multiple samples due to sample damage. To improve this process, we propose a protocol that combines golden ratio scanning and quasi-3D reconstruction to estimate the optimal number of projections in real-time during a single acquisition. This protocol was validated using simulated and realistic nanoparticles, and was successfully applied to reconstruct two beam-sensitive metal–organic framework complexes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000937908900001	Publication Date	2023-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	1	Open Access	OpenAccess
	Notes	H2020 European Research Council, 815128 ; H2020 Marie Skłodowska-Curie Actions, 860942 ;			Approved	Most recent IF: 6.7; 2023 IF: 7.367
	Call Number	EMAT @ emat @c:irua:195235			Serial	7260
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	Author	Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M.
	Title	Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film			Type	A1 Journal article
	Year	2016	Publication	European physical journal : B : condensed matter and complex systems	Abbreviated Journal	Eur Phys J B
	Volume	89	Issue	89	Pages	172
	Keywords	A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
	Abstract	Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000391225200001	Publication Date	2016-07-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6028	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.461	Times cited	1	Open Access
	Notes	; We thank A.S. Mishchenko and D.G. Rees for valuable discussions. This research has been supported by the Flemish Research Foundation (FWO-Vl), Project Nos. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, by the Scientific Research Network of the Research Foundation-Flanders, WO.033.09N, and by the Research Fund of the University of Antwerp. ;			Approved	Most recent IF: 1.461
	Call Number	UA @ lucian @ c:irua:140351			Serial	4454
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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	Jovanović, Z.; Gauquelin, N.; Koster, G.; Rubio-Zuazo, J.; Ghosez, P.; Verbeeck, J.; Suvorov, D.; Spreitzer, M.
	Title	Simultaneous heteroepitaxial growth of SrO (001) and SrO (111) during strontium-assisted deoxidation of the Si (001) surface			Type	A1 Journal article
	Year	2020	Publication	Rsc Advances	Abbreviated Journal	Rsc Adv
	Volume	10	Issue	52	Pages	31261-31270
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Epitaxial integration of transition-metal oxides with silicon brings a variety of functional properties to the well-established platform of electronic components. In this process, deoxidation and passivation of the silicon surface are one of the most important steps, which in our study were controlled by an ultra-thin layer of SrO and monitored by using transmission electron microscopy (TEM), electron energy-loss spectroscopy (EELS), synchrotron X-ray diffraction (XRD) and reflection high energy electron diffraction (RHEED) methods. Results revealed that an insufficient amount of SrO leads to uneven deoxidation of the silicon surface<italic>i.e.</italic>formation of pits and islands, whereas the composition of the as-formed heterostructure gradually changes from strontium silicide at the interface with silicon, to strontium silicate and SrO in the topmost layer. Epitaxial ordering of SrO, occurring simultaneously with silicon deoxidation, was observed. RHEED analysis has identified that SrO is epitaxially aligned with the (001) Si substrate both with SrO (001) and SrO (111) out-of-plane directions. This observation was discussed from the point of view of SrO desorption, SrO-induced deoxidation of the Si (001) surface and other interfacial reactions as well as structural ordering of deposited SrO. Results of the study present an important milestone in understanding subsequent epitaxial integration of functional oxides with silicon using SrO.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000566579400025	Publication Date	2020-08-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2046-2069	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.9	Times cited	1	Open Access	OpenAccess
	Notes	Vlaamse regering, Hercules Fund ; Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja, III 45006 ; Javna Agencija za Raziskovalno Dejavnost RS, J2-9237 P2-0091 ; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Ministerio de Ciencia, Innovación y Universidades; Universiteit Antwerpen, GOA project Solarpaint ; F.R.S.-FNRS, PDR project PROMOSPAN ; Consejo Superior de Investigaciones Cientificas; University of Liège, ARC project AIMED ; Ministry of Education, Science and Sport, M.ERA-NET project SIOX ;			Approved	Most recent IF: 3.9; 2020 IF: 3.108
	Call Number	EMAT @ emat @c:irua:172059			Serial	6416
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	Author	Hernandez Parrodi, J.C.; Lucas, H.; Gigantino, M.; Sauve, G.; Esguerra, J.L.; Einhäupl, P.; Vollprecht, D.; Pomberger, R.; Friedrich, B.; Van Acker, K.; Krook, J.; Svensson, N.; Van Passel, S.
	Title	Integration of resource recovery into current waste management through (enhanced) landfill mining			Type	A1 Journal article
	Year	2019	Publication	Detritus	Abbreviated Journal
	Volume	Volume 08 - December 2019	Issue	Volume 08 - December 2019	Pages	1
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Europe has somewhere between 150,000 and 500,000 landfill sites, with an estimated 90% of them being “non-sanitary” landfills, predating the EU Landfill Directive of 1999/31/EC. These older landfills tend to be filled with municipal solid waste and often lack any environmental protection technology. “ Doing nothing”, state-of-theart aftercare or remediating them depends largely on technical, societal and economic conditions which vary between countries. Beside “ doing nothing' and landfill aftercare, there are different scenarios in landfill mining, from re-landfilling the waste into ”sanitary landfills" to seizing the opportunity for a combined resource-recovery and remediation strategy. This review article addresses present and future issues and potential opportunities for landfill mining as an embedded strategy in current waste management systems through a multi-disciplinary approach. In particular, three general landfill mining strategies are addressed with varying extents of resource recovery. These are discussed in relation to the main targets of landfill mining: (i) reduction of the landfill volume (technical), (ii) reduction of risks and impacts (environmental) and (iii) increase in resource recovery and overall profitability (economic). Geophysical methods could be used to determine the characteristics of the landfilled waste and subsurface structures without the need of an invasive exploration, which could greatly reduce exploration costs and time, as well as be useful to develop a procedure to either discard or select the most appropriate sites for (E)LFM. Material and energy recovery from land-filled waste can be achieved through mechanical processing coupled with thermochemical valorization technologies and residues upcycling techniques. Gasification could enable the upcycling of residues after thermal treatment into a new range of eco-friendly construction materials based on inorganic polymers and glass-ceramics. The multi-criteria assessment is directly influenced by waste- and technology related factors, which together with site-specific conditions, market and regulatory aspects, influence the environmental, economic and societal impacts of (E)LFM projects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000504065300012	Publication Date	2019-12-23
	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	1	Open Access
	Notes	; This research has been funded by the European Union ' s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 721185 “NEW-MINE” (EU Training Network for Resource Recovery through Enhanced Landfill Mining; www.new-mine.eu). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:165759			Serial	6219
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