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	Author	E. Zaghi, A.; Buffière, M.; Koo, J.; Brammertz, G.; Batuk, M.; Verbist, C.; Hadermann, J.; Kim, W.K.; Meuris, M.; Poortmans, J.; Vleugels, J.;
	Title	Effect of selenium content of CuInSe_x alloy nanopowder precursors on recrystallization of printed CuInSe₂ absorber layers during selenization heat treatment			Type	A1 Journal article
	Year	2014	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume		Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polycrystalline CuInSe2 semiconductors are efficient light absorber materials for thin film solar cell technology, whereas printing is one of the promising low cost and non-vacuum approaches for the fabrication of thin film solar cells. The printed precursors are transformed into a dense polycrystalline CuInSe2 semiconductor film via thermal treatment in ambient selenium atmosphere (selenization). In this study, the effect of the selenium content in high purity mechanically synthesized CuInSex (x = 2, 1.5, 1 or 0.5) alloy precursors on the recrystallization of the CuInSe2 phase during the selenization process was investigated. The nanostructure and phase variation of CuInSex nanopowders were investigated by different characterization techniques. The recrystallization process of the 12 μm thick CuInSex coatings into the CuInSe2 phase during selenization in selenium vapor was investigated via in-situ high temperature X-ray diffraction. The CuInSex precursors with lower selenium content showed a more pronounced phase conversion into CuInSe2 compared to the higher selenium content CuInSex precursors. Moreover, the CuInSex (x = 0.5 and 1) precursor resulted in a denser polycrystalline CuInSe2 semiconductor film with larger crystals. This could be attributed to a more intensive atomic interdiffusion within the CuInSex precursor system compared to a CuInSe2 phase precursor, and the formation of intermediate CuSe and CuSe2 fluxing phases during selenization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000352225900004	Publication Date	2014-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 1.879; 2014 IF: 1.759
	Call Number	c:irua:121330			Serial	834
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	Author	Kozák, T.; Bogaerts, A.
	Title	Evaluation of the energy efficiency of CO₂ conversion in microwave discharges using a reaction kinetics model			Type	A1 Journal article
	Year	2015	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	24	Issue	24	Pages	015024
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges.
	Address
	Corporate Author				Thesis
	Publisher	Institute of Physics	Place of Publication	Bristol	Editor
	Language		Wos	000348298200025	Publication Date	2014-12-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	100	Open Access
	Notes				Approved	Most recent IF: 3.302; 2015 IF: 3.591
	Call Number	c:irua:122243			Serial	1087
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	Author	Kolev, S.; Bogaerts, A.
	Title	A 2D model for a gliding arc discharge			Type	A1 Journal article
	Year	2015	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	24	Issue	24	Pages	015025
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs.
	Address
	Corporate Author				Thesis
	Publisher	Institute of Physics	Place of Publication	Bristol	Editor
	Language		Wos	000348298200026	Publication Date	2014-12-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 3.302; 2015 IF: 3.591
	Call Number	c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538			Serial	3
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	Author	Zhang, Y.-R.; Tinck, S.; De Schepper, P.; Wang, Y.-N.; Bogaerts, A.
	Title	Modeling and experimental investigation of the plasma uniformity in CF₄/O₂ capacitively coupled plasmas, operating in single frequency and dual frequency regime			Type	A1 Journal article
	Year	2015	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Vac Sci Technol A
	Volume	33	Issue	33	Pages	021310
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A two-dimensional hybrid Monte Carlofluid model, incorporating a full-wave solution of Maxwell's equations, is employed to describe the behavior of high frequency (HF) and very high frequency capacitively coupled plasmas (CCPs), operating both at single frequency (SF) and dual frequency (DF) in a CF4/O2 gas mixture. First, the authors investigate the plasma composition, and the simulations reveal that besides CF4 and O2, also COF2, CF3, and CO2 are important neutral species, and CF+3 and F− are the most important positive and negative ions. Second, by comparing the results of the model with and without taking into account the electromagnetic effects for a SF CCP, it is clear that the electromagnetic effects are important, both at 27 and 60 MHz, because they affect the absolute values of the calculation results and also (to some extent) the spatial profiles, which accordingly affects the uniformity in plasma processing. In order to improve the plasma radial uniformity, which is important for the etch process, a low frequency (LF) source is added to the discharge. Therefore, in the major part of the paper, the plasma uniformity is investigated for both SF and DF CCPs, operating at a HF of 27 and 60 MHz and a LF of 2 MHz. For this purpose, the authors measure the etch rates as a function of position on the wafer in a wide range of LF powers, and the authors compare them with the calculated fluxes toward the wafer of the plasma species playing a role in the etch process, to explain the trends in the measured etch rate profiles. It is found that at a HF of 60 MHz, the uniformity of the etch rate is effectively improved by adding a LF power of 2 MHz and 300 W, while its absolute value increases by about 50%, thus a high etch rate with a uniform distribution is observed under this condition.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000355739500026	Publication Date	2015-01-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0734-2101;1520-8559;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.374	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.374; 2015 IF: 2.322
	Call Number	c:irua:122650			Serial	2107
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	Author	Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G.
	Title	Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis			Type	A1 Journal article
	Year	2015	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	24	Issue	24	Pages	025004
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately.
	Address
	Corporate Author				Thesis
	Publisher	Institute of Physics	Place of Publication	Bristol	Editor
	Language		Wos	000356816200008	Publication Date	2015-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 3.302; 2015 IF: 3.591
	Call Number	c:irua:123534			Serial	704
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	Author	Liu, Y.-X.; Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N.
	Title	Electromagnetic effects in high-frequency large-area capacitive discharges : a review			Type	A1 Journal article
	Year	2015	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Vac Sci Technol A
	Volume	33	Issue	33	Pages	020801
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength k in the plasma becomes comparable to the electrode radius, and the plasma skin depth d becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwells equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.
	Address
	Corporate Author				Thesis
	Publisher	A v s amer inst physics	Place of Publication	Melville	Editor
	Language		Wos	000355739500007	Publication Date	2015-02-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0734-2101;1520-8559;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.374	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 1.374; 2015 IF: 2.322
	Call Number	c:irua:123541			Serial	903
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	Author	Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J.
	Title	Synergy between transmission electron microscopy and powder diffraction : application to modulated structures			Type	A1 Journal article
	Year	2015	Publication	Acta crystallographica: section B: structural science	Abbreviated Journal	Acta Crystallogr B
	Volume	71	Issue	71	Pages	127-143
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000352166500002	Publication Date	2015-04-01
	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	11	Open Access
	Notes	Fwo G039211n			Approved	Most recent IF: 2.032; 2015 IF: NA
	Call Number	c:irua:124411			Serial	3408
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	Author	Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G.
	Title	Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations			Type	A1 Journal article
	Year	2015	Publication	ECS journal of solid state science and technology	Abbreviated Journal	Ecs J Solid State Sc
	Volume	4	Issue	4	Pages	N3127-N3133
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Electrochemical society	Place of Publication	Pennington (N.J.)	Editor
	Language		Wos	000349547900018	Publication Date	2014-11-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2162-8769;2162-8777;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.787	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 1.787; 2015 IF: 1.558
	Call Number	c:irua:125296			Serial	1150
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	Author	Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H.
	Title	Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond			Type	A1 Journal article
	Year	2015	Publication	Earth and planetary science letters	Abbreviated Journal	Earth Planet Sc Lett
	Volume	417	Issue	417	Pages	49-56
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000351799400006	Publication Date	2015-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0012-821X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.409	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 4.409; 2015 IF: 4.734
	Call Number	c:irua:125451			Serial	2539
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	Author	Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M.
	Title	Effect of pinning on the response of superconducting strips to an external pulsed current			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	025004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000351046300010	Publication Date	2014-12-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	19	Open Access
	Notes	; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ;			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:125491			Serial	829
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	Author	Samani, M.K.; Ding, X.Z.; Khosravian, N.; Amin-Ahmadi, B.; Yi, Y.; Chen, G.; Neyts, E.C.; Bogaerts, A.; Tay, B.K.
	Title	Thermal conductivity of titanium nitride/titanium aluminum nitride multilayer coatings deposited by lateral rotating cathode arc			Type	A1 Journal article
	Year	2015	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume	578	Issue	578	Pages	133-138
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A seriesof [TiN/TiAlN]nmultilayer coatingswith different bilayer numbers n=5, 10, 25, 50, and 100 were deposited on stainless steel substrate AISI 304 by a lateral rotating cathode arc technique in a flowing nitrogen atmosphere. The composition and microstructure of the coatings have been analyzed by using energy dispersive X-ray spectroscopy, X-ray diffraction (XRD), and conventional and high-resolution transmission electron microscopy (HRTEM). XRD analysis shows that the preferential orientation growth along the (111) direction is reduced in the multilayer coatings. TEM analysis reveals that the grain size of the coatings decreases with increasing bilayer number. HRTEMimaging of the multilayer coatings shows a high density misfit dislocation between the TiN and TiAlN layers. The cross-plane thermal conductivity of the coatings was measured by a pulsed photothermal reflectance technique. With increasing bilayer number, the multilayer coatings' thermal conductivity decreases gradually. This reduction of thermal conductivity can be ascribed to increased phonon scattering due to the disruption of columnar structure, reduced preferential orientation, decreased grain size of the coatings and present misfit dislocations at the interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000351686500019	Publication Date	2015-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	41	Open Access
	Notes				Approved	Most recent IF: 1.879; 2015 IF: 1.759
	Call Number	c:irua:125517			Serial	3626
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	Author	Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
	Title	Graphane			Type	A1 Journal article
	Year	2015	Publication	Wiley Interdisciplinary Reviews: Computational Molecular Science	Abbreviated Journal	Wires Comput Mol Sci
	Volume	5	Issue	5	Pages	255-272
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomically thin crystals have recently been the focus of attention, in particular, after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class, the chemically derived graphenes have attracted tremendous interest. It was shown that, although bulk graphite is a chemically inert material, the surface of single layer graphene is rather reactive against individual atoms. So far, synthesis of several graphene derivatives have been reported such as hydrogenated graphene graphane' (CH), fluorographene (CF), and chlorographene (CCl). Moreover, the stability of bromine and iodine covered graphene were predicted using computational tools. Among these derivatives, easy synthesis, insulating electronic behavior and reversibly tunable crystal structure of graphane make this material special for future ultra-thin device applications. This overview surveys structural, electronic, magnetic, vibrational, and mechanical properties of graphane. We also present a detailed overview of research efforts devoted to the computational modeling of graphane and its derivatives. Furthermore recent progress in synthesis techniques and possible applications of graphane are reviewed as well. WIREs Comput Mol Sci 2015, 5:255-272. doi: 10.1002/wcms.1216 For further resources related to this article, please visit the . Conflict of interest: The authors have declared no conflicts of interest for this article.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352862700001	Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1759-0876;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	14.016	Times cited	54	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. H. Sahin is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 14.016; 2015 IF: 11.885
	Call Number	c:irua:125996			Serial	1366
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	Author	Batuk, M.; Buffiere, M.; Zaghi, A.E.; Lenaers, N.; Verbist, C.; Khelifi, S.; Vleugels, J.; Meuris, M.; Hadermann, J.
	Title	Effect of the burn-out step on the microstructure of the solution-processed Cu(In,Ga)Se₂ solar cells			Type	A1 Journal article
	Year	2015	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume	583	Issue	583	Pages	142-150
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	For the development of the photovoltaic industry cheap methods for the synthesis of Cu(In,Ga)Se-2 (CIGSe) based solar cells are required. In this work, CIGSe thin films were obtained by a solution-based method using oxygen-bearing derivatives. With the aimof improving the morphology of the printed CIGSe layers, we investigated two different annealing conditions of the precursor layer, consisting of (1) a direct selenization step (reference process), and (2) a pre-treatment thermal step prior to the selenization. We showed that the use of an Air/H2S burn-out step prior to the selenization step increases the CIGSe grain size and reduces the carbon content. However, it leads to the reduction of the solar cell efficiency from 4.5% in the reference sample down to 0.5% in the annealed sample. Detailed transmission electron microscopy analysis, including high angle annular dark field scanning transmission electron microscopy and energy dispersive X-ray mapping, was applied to characterize the microstructure of the film and to determine the relationship between microstructure and the solar cell performance. We demonstrated that the relatively low efficiency of the reference solar cells is related not only to the nanosize of the CIGSe grains and presence of the pores in the CIGSe layer, but also to the high amount of secondary phases, namely, In/Ga oxide (or hydroxide) amorphous matter, residuals of organicmatter (carbon), and copper sulfide that is formed at the CIGSe/MoSe2 interface. The annealing in H2S during the burn-out step leads to the formation of the copper sulfide at all grain boundaries and surfaces in the CIGSe layer, which results in the noticeably efficiency drop. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000353812400024	Publication Date	2015-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 1.879; 2015 IF: 1.759
	Call Number	c:irua:126009			Serial	845
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	Author	Lieberman, C.M.; Filatov, A.S.; Wei, Z.; Rogachev, A.Y.; Abakumov, A.M.; Dikarev, E.V.
	Title	Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors			Type	A1 Journal article
	Year	2015	Publication	Chemical science	Abbreviated Journal	Chem Sci
	Volume	6	Issue	6	Pages	2835-2842
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A novel series of mixed-valent, heteroleptic transition metal diketonates that can be utilized as prospective single-source precursors for the low-temperature preparation of oxide materials are reported. The first mixed-valent iron beta-diketonates with different Fe-III/Fe-II ratios have been synthesized by applying the mixed-ligand approach. Based on nearly quantitative reaction yields and analysis of iron-oxygen bonds, these compounds were formulated as [Fe-III(acac)(3)][Fe-II(hfac)(2)] (1) and [Fe-II(hfac)(2)][Fe-III(acac)(3)][Fe-II(hfac)(2)] (2). In the above heteroleptic complexes, the Lewis acidic, coordinatively unsaturated Fe-II centers chelated by two hfac (hexafluoroacetylacetonate) ligands with electron-withdrawing substituents maintain bridging interactions with oxygen atoms of electron-donating acac (acetylacetonate) groups that chelate the neighboring Fe-III atoms. Switching the ligands on Fe-III and Fe-II atoms in starting reagents resulted in the instant ligand exchange between iron centers and in yet another polynuclear homometallic diketonate [Fe-II(hfac)(2)][Fe-III(acac)(2)(hfac)][Fe-II(hfac)(2)] (3) that adheres to the same bonding pattern as in complexes 1 and 2. The proposed synthetic methodology has been extended to design heterometallic diketonates with different M : M' ratios. Homometallic parent molecules have been used as templates to obtain heterometallic mixed-valent [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Ni-II(hfac)(2)] – [Fe-III(acac)(3)][Ni-II(hfac)(2)] (5) complexes. The combination of two different diketonate ligands with electron-donating and electron-withdrawing substituents was found to be crucial for maintaining the above mixed-valent heterometallic assemblies. Theoretical investigation of two possible “isomers”, [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Mn-III(acac)(3)][Fe-II(hfac)(2)] (40) provided an additional support for the metal site assignment giving a preference of 9.78 kcal mol(-1) for the molecule 4. Heterometallic complexes obtained in the course of this study have been found to act as effective single-source precursors for the synthesis of mixed-transition metal oxide materials MxM2-xO3 and MxMi-xO. The title highly volatile precursors can be used for the low-temperature preparation of both amorphous and crystalline heterometallic oxides in the form of thin films or nanosized particles that are known to operate as efficient catalysts in oxygen evolution reaction.
	Address
	Corporate Author				Thesis
	Publisher	Royal Society of Chemistry	Place of Publication	Cambridge	Editor
	Language		Wos	000353223100021	Publication Date	2015-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-6520;2041-6539;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.668	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 8.668; 2015 IF: 9.211
	Call Number	c:irua:126031			Serial	2092
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	Author	Pittarello, L.; Ji, G.; Yamaguchi, A.; Schryvers, D.; Debaille, V.; Claeys, P.
	Title	From olivine to ringwoodite : a TEM study of a complex process			Type	A1 Journal article
	Year	2015	Publication	Meteoritics and Planetary Science	Abbreviated Journal	Meteorit Planet Sci
	Volume	50	Issue	50	Pages	944-957
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The study of shock metamorphism of olivine might help to constrain impact events in the history of meteorites. Although shock features in olivine are well known, so far, there are processes that are not yet completely understood. In shock veins, olivine clasts with a complex structure, with a ringwoodite rim and a dense network of lamellae of unidentified nature in the core, have been reported in the literature. A highly shocked (S5-6), L6 meteorite, Asuka 09584, which was recently collected in Antarctica by a Belgian-Japanese joint expedition, contains this type of shocked olivine clasts and has been, therefore, selected for detailed investigations of these features by transmission electron microscopy (TEM). Petrographic, geochemical, and crystallographic studies showed that the rim of these shocked clasts consists of an aggregate of nanocrystals of ringwoodite, with lower Mg/Fe ratio than the unshocked olivine. The clast's core consists of an aggregate of iso-oriented grains of olivine and wadsleyite, with higher Mg/Fe ratio than the unshocked olivine. This aggregate is crosscut by veinlets of nanocrystals of olivine, with extremely low Mg/Fe ratio. The formation of the ringwoodite rim is likely due to solid-state, diffusion-controlled, transformation from olivine under high-temperature conditions. The aggregate of iso-oriented olivine and wadsleyite crystals is interpreted to have formed also by a solid-state process, likely by coherent intracrystalline nucleation. Following the compression, shock release is believed to have caused opening of cracks and fractures in olivine and formation of olivine melt, which has lately crystallized under postshock equilibrium pressure conditions as olivine.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000354258400008	Publication Date	2015-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1086-9379;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.391	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.391; 2015 IF: 3.104
	Call Number	c:irua:126058			Serial	1283
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	Author	Van Gompel, M.; Atalay, A.Y.; Gaulke, A.; Van Bael, M.K.; D'Haen, J.; Turner, S.; Van Tendeloo, G.; Vanacken, J.; Moshchalkov, V.V.; Wagner, P.
	Title	Morphological TEM studies and magnetoresistance analysis of sputtered Al-substituted ZnO films : the role of oxygen			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	212	Issue	212	Pages	1191-1201
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this article, we report on the synthesis of thin, epitaxial films of the transparent conductive oxide Al:ZnO on (0001)-oriented synthetic sapphire substrates by DC sputtering from targets with a nominal 1 at.% Al substitution. The deposition was carried out at an unusually low substrate temperature of only 250 °C in argonoxygen mixtures as well as in pure argon. The impact of the processgas composition on the morphology was analysed by transmission electron microscopy, revealing epitaxial growth in all the cases with a minor impact of the process parameters on the resulting grain sizes. The transport properties resistivity, Hall effect and magnetoresistance were studied in the range from 10 to 300 K in DC and pulsed magnetic fields up to 45 T. While the carrier density and mobility are widely temperature independent, we identified a low fieldlow temperature regime in which the magnetoresistance shows an anomalous, negative behaviour. At higher fields and temperatures, the magnetoresistance exhibits a more conventional, positive curvature with increasing field strength. As a possible explanation, we propose carrier scattering at localised magnetic trace impurities and magnetic correlations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356706500003	Publication Date	2015-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.775	Times cited		Open Access
	Notes	Methusalem project NANO; FWO; 246791 COUNTATOMS			Approved	Most recent IF: 1.775; 2015 IF: 1.616
	Call Number	c:irua:126732			Serial	2204
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	Author	Zhang, Y.-R.; Gao, F.; Li, X.-C.; Bogaerts, A.; Wang, Y.-N.
	Title	Fluid simulation of the bias effect in inductive/capacitive discharges			Type	A1 Journal article
	Year	2015	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Vac Sci Technol A
	Volume	33	Issue	33	Pages	061303
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Computer simulations are performed for an argon inductively coupled plasma (ICP) with a capacitive radio-frequency bias power, to investigate the bias effect on the discharge mode transition and on the plasma characteristics at various ICP currents, bias voltages, and bias frequencies. When the bias frequency is fixed at 13.56 MHz and the ICP current is low, e.g., 6A, the spatiotemporal averaged plasma density increases monotonically with bias voltage, and the bias effect is already prominent at a bias voltage of 90 V. The maximum of the ionization rate moves toward the bottom electrode, which indicates clearly the discharge mode transition in inductive/capacitive discharges. At higher ICP currents, i.e., 11 and 13 A, the plasma density decreases first and then increases with bias voltage, due to the competing mechanisms between the ion acceleration power dissipation and the capacitive power deposition. At 11 A, the bias effect is still important, but it is noticeable only at higher bias voltages. At 13 A, the ionization rate is characterized by a maximum at the reactor center near the dielectric window at all selected bias voltages, which indicates that the ICP power, instead of the bias power, plays a dominant role under this condition, and no mode transition is observed. Indeed, the ratio of the bias power to the total power is lower than 0.4 over a wide range of bias voltages, i.e., 0300V. Besides the effect of ICP current, also the effect of various bias frequencies is investigated. It is found that the modulation of the bias power to the spatiotemporal distributions of the ionization rate at 2MHz is strikingly different from the behavior observed at higher bias frequencies. Furthermore, the minimum of the plasma density appears at different bias voltages, i.e., 120V at 2MHz and 90V at 27.12 MHz.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000365503800020	Publication Date	2015-08-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0734-2101;1520-8559;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.374	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 1.374; 2015 IF: 2.322
	Call Number	c:irua:126824			Serial	1229
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	Author	Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E.
	Title	Chabazite : stable cation-exchanger in hyper alkaline concrete pore water			Type	A1 Journal article
	Year	2015	Publication	Environmental science and technology	Abbreviated Journal	Environ Sci Technol
	Volume	49	Issue	49	Pages	2358-2365
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000349806400047	Publication Date	2015-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-936X;1520-5851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.198	Times cited	13	Open Access	OpenAccess
	Notes	This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 6.198; 2015 IF: 5.330
	Call Number	c:irua:127695			Serial	307
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	Author	Erbe, M.; Hänisch, J.; Hühne, R.; Freudenberg, T.; Kirchner, A.; Molina-Luna, L.; Damm, C.; Van Tendeloo, G.; Kaskel, S.; Schultz, L.; Holzapfel, B.
	Title	BaHfO₃artificial pinning centres in TFA-MOD-derived YBCO and GdBCO thin films			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	114002
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Chemical solution deposition (CSD) is a promising way to realize REBa2Cu3O7−x (REBCO;RE = rare earth (here Y, Gd))-coated conductors with high performance in applied magnetic fields. However, the preparation process contains numerous parameters which need to be tuned to achieve high-quality films. Therefore, we investigated the growth of REBCO thin films containing nanometre-scale BaHfO3 (BHO) particles as pinning centres for magnetic flux lines, with emphasis on the influence of crystallization temperature and substrate on the microstructure and superconductivity. Conductivity, microscopy and x-ray investigations show an enhanced performance of BHO nano-composites in comparison to pristine REBCO. Further, those measurements reveal the superiority of GdBCO to YBCO—e.g. by inductive critical current densities, Jc, at self-field and 77 K. YBCO is outperformed by more than 1 MA cm−2 with Jc values of up to 5.0 MA cm−2 for 265 nm thick layers of GdBCO(BHO) on lanthanum aluminate. Transport in-field Jc measurements demonstrate high pinning force maxima of around 4 GN m−3 for YBCO(BHO) and GdBCO(BHO). However, the irreversibility fields are appreciably higher for GdBCO. The critical temperature was not significantly reduced upon BHO addition to both YBCO and GdBCO, indicating a low tendency for Hf diffusion into the REBCO matrix. Angular-dependent Jc measurements show a reduction of the anisotropy in the same order of magnitude for both REBCO compounds. Theoretical models suggest that more than one sort of pinning centre is active in all CSD films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000366193000003	Publication Date	2015-09-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	36	Open Access
	Notes	Experimental work was mainly done at IFW Dresden. We thank Juliane Scheiter and Dr Jens Ingolf Mönch of IFW Dresden for technical assistance. The research leading to these results received funding from EUROTAPES, a collaborative project funded by the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement no. NMP-LA-2012-280 432. L Molina-Luna and G Van Tendeloo acknowledge funding from the European Research Council (ERC grant nr. 24 691-COUNTATOMS).			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:129200			Serial	3941
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	Author	Kolev, S.; Bogaerts, A.
	Title	Similarities and differences between gliding glow and gliding arc discharges			Type	A1 Journal article
	Year	2015	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	24	Issue	24	Pages	065023
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this work we have analyzed the properties of a gliding dc discharge in argon at atmospheric pressure. Despite the usual designation of these discharges as ‘gliding arc discharges’, it was found previously that they operate in two different regimes—glow and arc. Here we analyze the differences in both regimes by means of two dimensional fluid modeling. In order to address different aspects of the discharge operation, we use two models—Cartesian and axisymmetric in a cylindrical coordinate system. The obtained results show that the two types of discharges produce a similar plasma column for a similar discharge current. However, the different mechanisms of plasma channel attachment to the cathode could produce certain differences in the plasma parameters (i.e. arc elongation), and this can affect gas treatments applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000368117100028	Publication Date	2015-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	12	Open Access
	Notes	This work is financially supported by the Methusalem financing and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen			Approved	Most recent IF: 3.302; 2015 IF: 3.591
	Call Number	c:irua:129214			Serial	3952
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	Author	Cayado, P.; De Keukeleere, K.; Garzón, A.; Perez-Mirabet, L.; Meledin, A.; De Roo, J.; Vallés, F.; Mundet, B.; Rijckaert, H.; Pollefeyt, G.; Coll, M.; Ricart, S.; Palau, A.; Gázquez, J.; Ros, J.; Van Tendeloo, G.; Van Driessche, I.; Puig, T.; Obradors, X.
	Title	Epitaxial YBa₂Cu₃O_7−xnanocomposite thin films from colloidal solutions			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	124007
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A methodology of general validity to prepare epitaxial nanocomposite films based on the use of colloidal solutions containing different crystalline preformed oxide nanoparticles ( ex situ nanocomposites) is reported. The trifluoroacetate (TFA) metal–organic chemical solution deposition route is used with alcoholic solvents to grow epitaxial YBa 2 Cu 3 O 7 (YBCO) films. For this reason stabilizing oxide nanoparticles in polar solvents is a challenging goal. We have used scalable nanoparticle synthetic methodologies such as thermal and microwave-assisted solvothermal techniques to prepare CeO 2 and ZrO 2 nanoparticles. We show that stable and homogeneous colloidal solutions with these nanoparticles can be reached using benzyl alcohol, triethyleneglycol, nonanoic acid, trifluoroacetic acid or decanoic acid as protecting ligands, thereby allowing subsequent mixing with alcoholic TFA solutions. An elaborate YBCO film growth analysis of these nanocomposites allows the identification of the different relevant growth phenomena, e.g. nanoparticles pushing towards the film surface, nanoparticle reactivity, coarsening and nanoparticle accumulation at the substrate interface. Upon mitigation of these effects, YBCO nanocomposite films with high self-field critical currents ( J c ∼ 3–4 MA cm −2 at 77 K) were reached, indicating no current limitation effects associated with epitaxy perturbation, while smoothed magnetic field dependences of the critical currents at high magnetic fields and decreased effective anisotropic pinning behavior confirm the effectiveness of the novel developed approach to enhance vortex pinning. In conclusion, a novel low cost solution-derived route to high current nanocomposite superconducting films and coated conductors has been developed with very promising features.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000366288100009	Publication Date	2015-11-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	32	Open Access
	Notes	All authors acknowledge the EU (EU-FP7 NMP-LA-2012-280432 EUROTAPES project). ICMAB acknowledges MINECO (MAT2014-51778-C2-1-R) and Generalitat de Catalunya (2014SGR 753 and Xarmae). UGhent acknowledges the Special Research Fund (BOF), the Research Foundation Flanders (FWO) and the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT). TEM microscopy work was conducted in the Catalan Institute of Nanoscience and Nanotechnology (ICN2). The authors acknowledge the ICN2 Electron Microscopy Division for offering access to their instruments and expertise. Part of the STEM microscopy work was conducted in 'Laboratorio de Microscopias Avanzadas' at the Instituto de Nanociencia de Aragon—Universidad de Zaragoza. The authors acknowledge the LMA-INA for offering access to their instruments and expertise. JG and MC also acknowledge the Ramon y Cajal program (RYC-2012-11709 and RYC-2013-12448 respectively).			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:129593			Serial	3966
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	Author	Van Laer, K.; Bogaerts, A.
	Title	Fluid modelling of a packed bed dielectric barrier discharge plasma reactor			Type	A1 Journal article
	Year	2016	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	25	Issue	25	Pages	015002
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A packed bed dielectric barrier discharge plasma reactor is computationally studied with a fluid model. Two different complementary axisymmetric 2D geometries are used to mimic the intrinsic 3D problem. It is found that a packing enhances the electric field strength and electron temperature at the contact points of the dielectric material due to polarization of the beads by the applied potential. As a result, these contact points prove to be of direct importance to initiate the plasma. At low applied potential, the discharge stays at the contact points, and shows the properties of a Townsend discharge. When a high enough potential is applied, the plasma will be able to travel through the gaps in between the beads from wall to wall, forming a kind of glow discharge. Therefore, the inclusion of a so-called ‘channel of voids’ is indispensable in any type of packed bed modelling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000370974800009	Publication Date	2015-12-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	50	Open Access
	Notes	The authors gratefully thank St Kolev for the many interesting discussions and the useful advise in setting up the models. This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions— Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb. ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support.			Approved	Most recent IF: 3.302
	Call Number	c:irua:129802			Serial	3982
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	Author	Gong, X.; Marmy, P.; Volodin, A.; Amin-Ahmadi, B.; Qin, L.; Schryvers, D.; Gavrilov, S.; Stergar, E.; Verlinden, B.; Wevers, M.; Seefeldt, M.
	Title	Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue			Type	A1 Journal article
	Year	2016	Publication	Corrosion science	Abbreviated Journal
	Volume	102	Issue	102	Pages	137-152
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000367275700014	Publication Date	2015-10-22
	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	16	Open Access
	Notes	The work is financially supported by the MYRRHA project,SCK•CEN, Belgium and partly funded by the European AtomicEnergy Community’s (Euratom) Seventh Framework ProgrammeFP7/2007-2013 under grant agreement No. 604862 (MatISSEproject) and in the framework of the EERA (European EnergyResearch Alliance) Joint Programme on Nuclear Materials. Dr. TomVan der Donck (KU Leuven) is acknowledged for the EBSD mea-surements. The authors are grateful to Dr. Van Renterghem Wouter(SCK•CEN) for fruitful discussion of the TEM results. Xing Gongsincerely acknowledges valuable suggestions from Dr. S.P. Lynch(Defence Science and Technology Organisation and Monash Uni-versity, Melbourne, Australia).			Approved	Most recent IF: NA
	Call Number	c:irua:129997			Serial	4013
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	Author	McCalla, E.; Abakumov, A.M.; Saubanere, M.; Foix, D.; Berg, E.J.; Rousse, G.; Doublet, M.-L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Dominko, R.; Tarascon, J.-M.
	Title	Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries			Type	A1 Journal article
	Year	2015	Publication	Science	Abbreviated Journal	Science
	Volume	350	Issue	350	Pages	1516-1521
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Lithium-ion (Li-ion) batteries that rely on cationic redox reactions are the primary energy source for portable electronics. One pathway toward greater energy density is through the use of Li-rich layered oxides. The capacity of this class of materials (>270 milliampere hours per gram) has been shown to be nested in anionic redox reactions, which are thought to form peroxo-like species. However, the oxygen-oxygen (O-O) bonding pattern has not been observed in previous studies, nor has there been a satisfactory explanation for the irreversible changes that occur during first delithiation. By using Li2IrO3 as a model compound, we visualize the O-O dimers via transmission electron microscopy and neutron diffraction. Our findings establish the fundamental relation between the anionic redox process and the evolution of the O-O bonding in layered oxides.
	Address	College de France, Chimie du Solide et de l'Energie, FRE 3677, 11 Place Marcelin Berthelot, 75231 Paris Cedex 05, France. ALISTORE-European Research Institute, FR CNRS 3104, 80039 Amiens, France. Reseau sur le Stockage Electrochimique de l'Energie (RS2E), FR CNRS 3459, France. Sorbonne Universites-UPMC Univ Paris 06, 4 Place Jussieu, F-75005 Paris, France. jean-marie.tarascon@college-de-france.fr
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000366591100056	Publication Date	2015-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-8075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	37.205	Times cited	281	Open Access
	Notes	E.M. thanks the Fonds de Recherche du Québec–Nature et Technologies and ALISTORE–European Research Institute for funding this work, as well as the European community I3 networks for funding the neutron scattering research trip. This work was also funded by the Slovenian Research Agency research program P2-0148. This work is partially based on experiments performed at the Institut Laue Langevin. We thank J. Rodriguez-Carvajal for help with neutron scattering experiments and for fruitful discussions. We also thank M. T. Sougrati for performing the Sn-Mössbauer measurements. 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. M.S. and M.-L.D. acknowledge high-performance computational resources from GENCI-CCRT/CINES (grant cmm6691). J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC Grant-Project670116-ARPEMA.			Approved	Most recent IF: 37.205; 2015 IF: 33.611
	Call Number	c:irua:130202			Serial	4005
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	Author	Belov, I.; Paulussen, S.; Bogaerts, A.
	Title	Appearance of a conductive carbonaceous coating in a CO₂dielectric barrier discharge and its influence on the electrical properties and the conversion efficiency			Type	A1 Journal article
	Year	2016	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	25	Issue	25	Pages	015023
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	This work examines the properties of a dielectric barrier discharge (DBD) reactor, built for CO2 decomposition, by means of electrical characterization, optical emission spectroscopy and gas chromatography. The discharge, formed in an electronegative gas (such as CO2, but also O2), exhibits clearly different electrical characteristics, depending on the surface conductivity of the reactor walls. An asymmetric current waveform is observed in the metaldielectric (MD) configuration, with sparse high-current pulses in the positive half-cycle (HC) and a more uniform regime in the negative HC. This indicates that the discharge is operating in two alternating regimes with rather different properties. At high CO2 conversion regimes, a conductive coating is deposited on the dielectric. This so-called coated MD configuration yields a symmetric current waveform, with current peaks in both the positive and negative HCs. In a double-dielectric (DD) configuration, the current waveform is also symmetric, but without current peaks in both the positive and negative HC. Finally, the DD configuration with conductive coating on the inner surface of the outer dielectric, i.e. so-called coated DD, yields again an asymmetric current waveform, with current peaks in the negative HC. These different electrical characteristics are related to the presence of the conductive coating on the dielectric wall of the reactor and can be explained by an increase of the local barrier capacitance available for charge transfer. The different discharge regimes affect the CO2 conversion, more specifically, the CO2 conversion is lowest in the clean DD configuration. It is somewhat higher in the coated DD configuration, and still higher in the MD configuration. The clean and coated MD configuration, however, gave similar CO2 conversion. These results indicate that the conductivity of the dielectric reactor walls can highly promote the development of the high-amplitude discharge current pulses and subsequently the CO2 conversion.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000370974800030	Publication Date	2016-01-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	25	Open Access
	Notes	The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7-PEOPLE-2013-ITN) under Grant Agreement № 606889 (RAPID—Reactive Atmospheric Plasma processIng—eDucation network).			Approved	Most recent IF: 3.302
	Call Number	c:irua:130790			Serial	4006
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	Author	Van der Paal, J.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.
	Title	Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress			Type	A1 Journal article
	Year	2016	Publication	Chemical science	Abbreviated Journal	Chem Sci
	Volume	7	Issue	7	Pages	489-498
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We performed molecular dynamics simulations to investigate the effect of lipid peroxidation products on the structural and dynamic properties of the cell membrane. Our simulations predict that the lipid order in a phospholipid bilayer, as a model system for the cell membrane, decreases upon addition of lipid peroxidation products. Eventually, when all phospholipids are oxidized, pore formation can occur. This will allow reactive species, such as reactive oxygen and nitrogen species (RONS), to enter the cell and cause oxidative damage to intracellular macromolecules, such as DNA or proteins. On the other hand, upon increasing the cholesterol fraction of lipid bilayers, the cell membrane order increases, eventually reaching a certain threshold, from which cholesterol is able to protect the membrane against pore formation. This finding is crucial for cancer treatment by plasma technology, producing a large number of RONS, as well as for other cancer treatment methods that cause an increase in the concentration of extracellular RONS. Indeed, cancer cells contain less cholesterol than their healthy counterparts. Thus, they will be more vulnerable to the consequences of lipid peroxidation, eventually enabling the penetration of RONS into the interior of the cell, giving rise to oxidative stress, inducing pro-apoptotic factors. This provides, for the first time, molecular level insight why plasma can selectively treat cancer cells, while leaving their healthy counterparts undamaged, as is indeed experimentally demonstrated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000366826900058	Publication Date	2015-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-6520	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.668	Times cited	106	Open Access
	Notes	The authors acknowledge nancial support from the Fund for Scientic Research (FWO) Flanders, grant number G012413N. The calculations were performed in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen.			Approved	Most recent IF: 8.668
	Call Number	c:irua:131058			Serial	3986
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	Author	Ozkan, A.; Dufour, T.; Silva, T.; Britun, N.; Snyders, R.; Bogaerts, A.; Reniers, F.
	Title	The influence of power and frequency on the filamentary behavior of a flowing DBD—application to the splitting of CO₂			Type	A1 Journal article
	Year	2016	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	25	Issue	25	Pages	025013
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this experimental study, a flowing dielectric barrier discharge operating at atmospheric pressure is used for the splitting of CO2 into O2 and CO. The influence of the applied frequency and plasma power on the microdischarge properties is investigated to understand their role on the CO2 conversion. Electrical measurements are carried out to explain the conversion trends and to characterize the microdischarges through their number, their lifetime, their intensity and the induced electrical charge. Their influence on the gas and electrode temperatures is also evidenced through optical emission spectroscopy and infrared imaging. It is shown that, in our configuration, the conversion depends mostly on the charge delivered in the plasma and not on the effective plasma voltage when the applied power is modified. Similarly, at constant total current, a better conversion is observed at low frequencies, where a less filamentary discharge regime with a higher effective plasma voltage than that at a higher frequency is obtained.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372337900015	Publication Date	2016-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	40	Open Access
	Notes	The authors acknowledge financial support from the IAPVII/ 12, P7/34 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO). A Ozkan would like to thank the financial support given by ‘Fonds David et Alice Van Buuren’. N Britun is a postdoctoral researcher of the F.R.S.-FNRS, Belgium.			Approved	Most recent IF: 3.302
	Call Number	c:irua:131904			Serial	4021
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	Author	Shanenko, A.A.; Aguiar, J.A.; Vagov, A.; Croitoru, M.D.; Milošević, M.V.
	Title	Atomically flat superconducting nanofilms: multiband properties and mean-field theory			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	054001
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recent progress in materials synthesis enabled fabrication of superconducting atomically flat single-crystalline metallic nanofilms with thicknesses down to a few monolayers. Interest in such nano-thin systems is attracted by the dimensional 3D-2D crossover in their coherent properties which occurs with decreasing the film thickness. The first fundamental aspect of this crossover is dictated by the Mermin-Wagner-Hohenberg theorem and concerns frustration of the long-range order due to superconductive fluctuations and the possibility to track its impact with an unprecedented level of control. The second important aspect is related to the Fabri-Perot modes of the electronic motion strongly bound in the direction perpendicular to the nanofilm. The formation of such modes results in a pronounced multiband structure that changes with the nanofilm thickness and affects both the mean-field behavior and superconductive fluctuations. Though the subject is very rich in physics, it is scarcely investigated to date. The main obstacle is that there are no manageable models to study a complex magnetic response in this case. Full microscopic consideration is rather time consuming, if practicable at all, while the standard Ginzburg-Landau theory is not applicable. In the present work we review the main achievements in the subject to date, and construct and justify an efficient multiband mean-field formalism which allows for numerical and even analytical treatment of nano-thin superconductors in applied magnetic fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353015700005	Publication Date	2015-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	23	Open Access
	Notes	This work was supported by the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). AAS acknowledges fruitful discussions with A Perali and D Neilson during his stay in the University of Camerino and is thankful for partial support of his visit by the University of Camerino under the project FAR 'Control and enhancement of superconductivity by engineering materials at the nanoscale'. MDC acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO).			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:132501			Serial	3944
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	Author	Trenchev, G.; Kolev, S.; Bogaerts, A.
	Title	A 3D model of a reverse vortex flow gliding arc reactor			Type	A1 Journal article
	Year	2016	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	25	Issue	25	Pages	035014
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this computational study, a gliding arc plasma reactor with a reverse-vortex flow stabilization is modelled for the first time by a fluid plasma description. The plasma reactor operates with argon gas at atmospheric pressure. The gas flow is simulated using the k-ε Reynolds-averaged Navier–Stokes turbulent model. A quasi-neutral fluid plasma model is used for computing the plasma properties. The plasma arc movement in the reactor is observed, and the results for the gas flow, electrical characteristics, plasma density, electron temperature, and gas temperature are analyzed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000376557400022	Publication Date	2016-04-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	20	Open Access
	Notes	This research was carried out in the framework of the network on Physical Chemistry of Plasma–Surface Interactions— Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb. ac.be/), and supported by the Belgian Science Policy Office (BELSPO), and it was also funded by the Fund for Scientific Research Flanders (FWO). Grant number: 11U5316N.			Approved	Most recent IF: 3.302
	Call Number	c:irua:132888 c:irua:132888			Serial	4063
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	Author	Filez, M.; Redekop, E.A.; Poelman, H.; Galvita, V.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B.
	Title	One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation			Type	A1 Journal article
	Year	2016	Publication	Catalysis science & technology	Abbreviated Journal	Catal Sci Technol
	Volume	6	Issue	6	Pages	1863-1869
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Simple methods for producing noble metal catalysts with well-defined active sites and improved performance are highly desired in the chemical industry. However, the development of such methods still presents a formidable synthetic challenge. Here, we demonstrate a one-pot synthesis route for the controlled production of bimetallic Pt–In catalysts based on the single-step formation of Mg,Al,Pt,In-containing layered double hydroxides (LDHs). Besides their simple synthesis, these Pt–In catalysts exhibit superior propane dehydrogenation activity compared to their multi-step synthesized analogs. The presented material serves as a showcase for the one-pot synthesis of a broader class of LDH-derived mono- and multimetallic Pt catalysts. The compositional flexibility provided by LDH materials can pave the way towards highperforming Pt-based catalysts with tunable physicochemical properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372172800031	Publication Date	2015-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2044-4753	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.773	Times cited	12	Open Access
	Notes	This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) by supplying financing of beam time at the DUBBLE beamline of the ESRF and travel costs and a post-doctoral fellowship for S. T. The authors acknowledge the assistance from the DUBBLE (XAS campaign 26-01-979) and SuperXAS staff (Proposal 20131191). E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to O. Janssens for performing ex situ XRD characterization.			Approved	Most recent IF: 5.773
	Call Number	c:irua:133167			Serial	4057
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