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	Author	Deshmukh, S.; Sankaran, K.J.; Srinivasu, K.; Korneychuk, S.; Banerjee, D.; Barman, A.; Bhattacharya, G.; Phase, D.M.; Gupta, M.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K.; Roy, S.S.
	Title	Local probing of the enhanced field electron emission of vertically aligned nitrogen-doped diamond nanorods and their plasma illumination properties			Type	A1 Journal article
	Year	2018	Publication	Diamond and related materials	Abbreviated Journal	Diam Relat Mater
	Volume	83	Issue	83	Pages	118-125
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A detailed conductive atomic force microscopic investigation is carried out to directly image the electron emission behavior for nitrogen-doped diamond nanorods (N-DNRs). Localized emission measurements illustrate uniform distribution of high-density electron emission sites from N-DNRs. Emission sites coupled to nano graphitic phases at the grain boundaries facilitate electron transport and thereby enhance field electron emission from N-DNRs, resulting in a device operation at low turn-on fields of 6.23 V/mu m, a high current density of 1.94 mA/cm(2) (at an applied field of 11.8 V/mu m) and a large field enhancement factor of 3320 with a long lifetime stability of 980 min. Moreover, using N-DNRs as cathodes, a microplasma device that can ignite a plasma at a low threshold field of 390 V/mm achieving a high plasma illumination current density of 3.95 mA/cm2 at an applied voltage of 550 V and a plasma life-time stability for a duration of 433 min was demonstrated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000430767200017	Publication Date	2018-02-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-9635	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.561	Times cited	9	Open Access	Not_Open_Access
	Notes	; S. Deshmulch, D. Banerjee and G. Bhattacharya are indebted to Shiv Nadar University for providing Ph.D. scholarships. K.J. Sankaran and K. Haenen like to thank the financial support of the Research Foundation Flanders (FWO) via Research Grant 12I8416N and Research Project 1519817N, and the Methusalem “NANO” network. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). The Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S. Korneychuk and J. Verbeeck acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. ;			Approved	Most recent IF: 2.561
	Call Number	UA @ lucian @ c:irua:151609UA @ admin @ c:irua:151609			Serial	5030
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	Author	Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Huehne, R.; Haenisch, J.; Meledin, A.; Van Tendeloo, G.; MacManus-Driscoll, J.L.; Celentano, G.
	Title	Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions			Type	A1 Journal article
	Year	2018	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	10	Issue	17	Pages	8187-8195
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B\|\|c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000432261400037	Publication Date	2018-03-26
	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	7.367	Times cited	9	Open Access	OpenAccess
	Notes	; This work was partially financially supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/ 2007-2013) under Grant Agreement No. 280432. This work has been partially carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ;			Approved	Most recent IF: 7.367
	Call Number	UA @ lucian @ c:irua:151520			Serial	5038
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	Author	Zhang, S.-H.; Yang, W.; Peeters, F.M.
	Title	Veselago focusing of anisotropic massless Dirac fermions			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	20	Pages	205437
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000433026700005	Publication Date	2018-05-22
	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	9	Open Access
	Notes	; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501			Serial	5047
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	Author	Samaee, V.; Gatti, R.; Devincre, B.; Pardoen, T.; Schryvers, D.; Idrissi, H.
	Title	Dislocation driven nanosample plasticity: new insights from quantitative in-situ TEM tensile testing			Type	A1 Journal Article
	Year	2018	Publication	Scientific Reports	Abbreviated Journal	Sci Rep-Uk
	Volume	8	Issue	1	Pages	12012
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Intrinsic dislocation mechanisms in the vicinity of free surfaces of an almost FIB damage-free single crystal Ni sample have been quantitatively investigated owing to a novel sample preparation method combining twin-jet electro-polishing, in-situ TEM heating and FIB. The results reveal that the small-scale plasticity is mainly controlled by the conversion of few tangled dislocations, still present after heating, into stable single arm sources (SASs) as well as by the successive operation of these sources. Strain hardening resulting from the operation of an individual SAS is reported and attributed to the decrease of the length of the source. Moreover, the impact of the shortening of the dislocation source on the intermittent plastic flow, characteristic of SASs, is discussed. These findings provide essential information for the understanding of the regime of ‘dislocation source’ controlled plasticity and the related mechanical size effect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000460200900001	Publication Date	2018-08-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2045-2322	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.259	Times cited	9	Open Access	Not_Open_Access
	Notes	Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N and SCHW855/5-1, respectively, is gratefully acknowledged. V. Samaee also acknowledges the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). Dr. Ruth Schwaiger is acknowledged for providing the Ni foils used to prepare the in-situ TEM tensile specimens.			Approved	Most recent IF: 4.259
	Call Number	EMAT @ emat @c:irua:155772			Serial	5136
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	Author	Pahlke, P.; Sieger, M.; Ottolinger, R.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Haenisch, J.; Holzapfel, B.; Schultz, L.; Nielsch, K.; Huehne, R.
	Title	Influence of artificial pinning centers on structural and superconducting properties of thick YBCO films on ABAD-YSZ templates			Type	A1 Journal article
	Year	2018	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	31	Issue	4	Pages	044007
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Recent efforts in the development of YBa2Cu3O7-x (YBCO) coated conductors are devoted to the increase of the critical current I-c in magnetic fields. This is typically realized by growing thicker YBCO layers as well as by the incorporation of artificial pinning centers. We studied the growth of doped YBCO layers with a thickness of up to 7 mu m using pulsed laser deposition with a growth rate of about 1.2 nm s(-1). Industrially fabricated ion-beam textured YSZ templates based on metal tapes were used as substrates for this study. The incorporation of BaHfO3 (BHO) or Ba2Y(Nb0.5Ta0.5)O-6 (BYNTO) secondary phase additions leads to a denser microstructure compared to undoped films. A purely c-axis-oriented YBCO growth is preserved up to a thickness of about 4 mu m, whereas misoriented texture components were observed in thicker films. The critical temperature is slightly reduced compared to undoped films and independent of film thickness. The critical current density J(c) of the BHO- and BYNTO-doped YBCO layers is lower at 77 K and self-field compared to pure YBCO layers; however, I-c increases up to a thickness of 5 mu m. A comparison between films with a thickness of 1.3 mu m revealed that the anisotropy of the critical current density J(c)(theta) strongly depends on the incorporated pinning centers. Whereas BHO nanorods lead to a strong B vertical bar vertical bar c-axis peak, the overall anisotropy is significantly reduced by the incorporation of BYNTO forming a mixture of short c-axis-oriented nanorods and small (a-b)-oriented platelets. As a result, the J(c) values of the doped films outperform the undoped samples at higher fields and lower temperatures for most magnetic field directions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000442196400001	Publication Date	2018-02-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	9	Open Access	OpenAccess
	Notes	; The authors acknowledge financial support from EURO-TAPES, a collaborative project funded by the European Union's Seventh Framework Programme (FP7/ 2007-2013) under Grant Agreement no. 280432. We thank A Usoskin (Bruker HTS GmbH, Germany) for the provision of buffered templates, and M Bianchetti, A Kursumovic and J L Mac-Manus-Driscoll (University of Cambridge, UK) for the supply of BYNTO targets. The authors also gratefully acknowledge the technical assistance of J Scheiter, M Kuhnel, U Besold (IFW) and R Nast (KIT). ;			Approved	Most recent IF: 2.878
	Call Number	UA @ lucian @ c:irua:153775			Serial	5108
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	Author	Mulkers, J.; Hals, K.M.D.; Leliaert, J.; Milošević, M.V.; Van Waeyenberge, B.; Everschor-Sitte, K.
	Title	Effect of boundary-induced chirality on magnetic textures in thin films			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	6	Pages	064429
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the quest for miniaturizing magnetic devices, the effects of boundaries and surfaces become increasingly important. Here we show how the recently predicted boundary-induced Dzyaloshinskii-Moriya interaction (DMI) affects the magnetization of ferromagnetic films with a C-infinity v symmetry and a perpendicular magnetic anisotropy. For an otherwise uniformly magnetized film, we find a surface twist when the magnetization in the bulk is canted by an in-plane external field. This twist at the surfaces caused by the boundary-induced DMI differs from the common canting caused by internal DMI observed at the edges of a chiral magnet. Furthermore, we find that the surface twist due to the boundary-induced DMI strongly affects the width of the domain wall at the surfaces. We also find that the skyrmion radius increases in the depth of the film, with the average size of the skyrmion increasing with boundary-induced DMI. This increase suggests that the boundary-induced DMI contributes to the stability of the skyrmion.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000443394600004	Publication Date	2018-08-31
	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	9	Open Access
	Notes	; The authors thank Matthias Sitte and Andre Thiaville for fruitful discussions. This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and the German Research Foundation (DFG) under the Project No. EV 196/2-1. J.L. is supported by the Ghent University Special Research Fund with a BOF postdoctoral fellowship. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:153706UA @ admin @ c:irua:153706			Serial	5093
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	Author	Godet, M.; Vergès-Belmin, V.; Gauquelin, N.; Saheb, M.; Monnier, J.; Leroy, E.; Bourgon, J.; Verbeeck, J.; Andraud, C.
	Title	Nanoscale investigation by TEM and STEM-EELS of the laser induced yellowing			Type	A1 Journal article
	Year	2018	Publication	Micron	Abbreviated Journal	Micron
	Volume	115	Issue		Pages	25-31
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nd-YAG QS laser cleaning of soiled stone at 1064 nm can sometimes result in a more yellow appearance compared to other cleaning techniques. Especially in France, this yellowing effect is still considered as a major aesthetic issue by the architects and conservators. One explanation states that the yellowing is linked to the formation of iron-rich nanophase(s) through the laser beam interaction with black crusts that would re-deposit on the cleaned substrate after irradiation. To characterize these nanophases, a model crust containing hematite was elaborated and laser irradiated using a Nd-YAG QS laser. The color of the sample shifted instantaneously from red to a bright yellow and numerous particles were ablated in a visible smoke. Transmission electron microscopy (TEM) was used to examine the morphology and the crystallinity of the neo-formed compounds, both on the surface of the samples and in the ablated materials. In addition, an investigation of the chemical and structural properties of the nanophases was conducted by X-ray dispersive energy (EDX) and electron energy loss (EELS) spectroscopies. It was found that both the surface of the sample and the ablated materials are covered by crystallized nano-spheres and nano-residues, all containing iron and oxygen, sometimes along with calcium and sulfur. In particular an interfacial area containing the four elements was evidenced between some nanostructures and the substrate. Magnetite Fe3O4 was also identified at the nanoscale. This study demonstrates that the laser yellowing of a model crust is linked to the presence of iron-rich nanophases including CaxFeySzOδ nanostructures and magnetite Fe3O4 at the surface after irradiation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000449125600004	Publication Date	2018-08-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.98	Times cited	9	Open Access	Not_Open_Access: Available from 19.08.2020
	Notes	The authors wish to thank Valérie Lalanne for the sample preparation for TEM and Stijn Van den Broeck for the FIB cut elaboration. 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).			Approved	Most recent IF: 1.98
	Call Number	EMAT @ emat @c:irua:154356UA @ admin @ c:irua:154356			Serial	5056
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	Author	Florea, A.; Cowen, T.; Piletsky, S.; De Wael, K.
	Title	Polymer platforms for selective detection of cocaine in street samples adulterated with levamisole			Type	A1 Journal article
	Year	2018	Publication	Talanta : the international journal of pure and applied analytical chemistry	Abbreviated Journal	Talanta
	Volume	186	Issue	186	Pages	362-367
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Accurate drug detection is of utmost importance for fighting against drug abuse. With a high number of cutting agents and adulterants being added to cut or mask drugs in street powders the number of false results is increasing. We demonstrate for the first time the usefulness of employing polymers readily synthesized by electrodeposition to selectively detect cocaine in the presence of the commonly used adulterant levamisole. The polymers were selected by computational modelling to exhibit high binding affinity towards cocaine and deposited directly on the surface of graphene-modified electrodes via electropolymerization. The resulting platforms allowed a distinct electrochemical signal for cocaine, which is otherwise suppressed by levamisole. Square wave voltammetry was used to quantify cocaine alone and in the presence of levamisole. The usefulness of the platforms was demonstrated in the screening of real street samples.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000435048800049	Publication Date	2018-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0039-9140; 1873-3573	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.162	Times cited	9	Open Access
	Notes	; This project has received funding from the European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie Grant Agreement no. 753223 Narcoreader. This work was also supported by IOF-SBO (UAntwerp). The authors thank Gert Nuyts for the help with SEM analyses. ;			Approved	Most recent IF: 4.162
	Call Number	UA @ admin @ c:irua:151250			Serial	5777
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	Author	Hofman, J.; Samson, R.; Joosen, S.; Blust, R.; Lenaerts, S.
	Title	Cyclist exposure to black carbon, ultrafine particles and heavy metals : an experimental study along two commuting routes near Antwerp, Belgium			Type	A1 Journal article
	Year	2018	Publication	Environmental research	Abbreviated Journal
	Volume	164	Issue	164	Pages	530-538
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Urban environments typically exhibit large atmospheric pollution variation, in both space and time. In contrast to traditional monitoring networks suffering from a limited spatial coverage, mobile platforms enable personalized high-resolution monitoring, providing valuable insights into personal atmospheric pollution exposure, and the identification of potential pollution hotspots. This study evaluated personal cyclist exposure to UFPs, BC and heavy metals whilst commuting near Antwerp, Belgium, by performing mobile measurements with wearable black carbon (BC) and ultrafine particle (UFP) instruments. Loaded micro-aethalometer filterstrips were chemically analysed and the inhaled pollutant dose determined from the exhibited heart rate. Considerable spatial pollutant variation was observed along the travelled routes, with distinct contributions from spatial factors (e.g. traffic intersections, urban park and market) and temporary events. On average 300% higher BC, 20% higher UFP and changing elemental concentrations are observed along the road traffic route (RT), when compared to the bicycle highway route (BH). Although the overall background pollution determines a large portion of the experienced personal exposure (in this case 53% for BC and 40% for UFP), cyclists can influence their personal atmospheric pollution exposure, by selecting less exposed commuting routes. Our results, hereby, strengthen the body of evidence in favour of further policy investments in isolated bicycle infrastructure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000431387100063	Publication Date	2018-04-06
	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	9	Open Access
	Notes	; The authors would like to acknowledge the Flanders Environment Agency (VMM) for granting access to the 42R817 monitoring station and provision of telemetric pollutant and meteorological data. The corresponding author acknowledges the Research Foundation Flanders (FWO) for his postdoctoral research grant (12I4816N). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:150540			Serial	5939
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	Author	Zhong, Z.; Aveyard, R.; Rieger, B.; Bals, S.; Palenstijn, W.J.; Batenburg, K.J.
	Title	Automatic correction of nonlinear damping effects in HAADF-STEM tomography for nanomaterials of discrete compositions			Type	A1 Journal article
	Year	2018	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	184	Issue	184	Pages	57-65
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('HAADF-STEM tomography is a common technique for characterizing the three-dimensional morphology of nanomaterials. In conventional tomographic reconstruction algorithms, the image intensity is assumed to be a linear projection of a physical property of the specimen. However, this assumption of linearity is not completely valid due to the nonlinear damping of signal intensities. The nonlinear damping effects increase w.r.t the specimen thickness and lead to so-called \u0022cupping artifacts\u0022, due to a mismatch with the linear model used in the reconstruction algorithm. Moreover, nonlinear damping effects can strongly limit the applicability of advanced reconstruction approaches such as Total Variation Minimization and discrete tomography. In this paper, we propose an algorithm for automatically correcting the nonlinear effects and the subsequent cupping artifacts. It is applicable to samples in which chemical compositions can be segmented based on image gray levels. The correction is realized by iteratively estimating the nonlinear relationship between projection intensity and sample thickness, based on which the projections are linearized. The correction and reconstruction algorithms are tested on simulated and experimental data. (C) 2017 Elsevier B.V. All rights reserved.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000417779800008	Publication Date	2017-10-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	8	Open Access	OpenAccess
	Notes	; This research is supported by the Dutch Technology Foundation STW (http:// www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. Funding from the European Research Council (Starting grant no. COLOURATOMS 335078) is acknowledged by S. Bals. The authors would like to thank Dr. Thomas Altantzis and Dr. Bart Goris for providing the experimental data, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. ; ecas_sara			Approved	Most recent IF: 2.843
	Call Number	UA @ lucian @ c:irua:148501UA @ admin @ c:irua:148501			Serial	4867
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	Author	Bal, K.M.; Neyts, E.C.
	Title	Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches			Type	A1 Journal article
	Year	2018	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	20	Issue	13	Pages	8456-8459
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000428779700007	Publication Date	2018-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	8	Open Access	OpenAccess
	Notes	K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI.			Approved	Most recent IF: 4.123
	Call Number	PLASMANT @ plasmant @c:irua:150357			Serial	4916
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	Author	Belov, I.; Vermeiren, V.; Paulussen, S.; Bogaerts, A.
	Title	Carbon dioxide dissociation in a microwave plasma reactor operating in a wide pressure range and different gas inlet configurations			Type	A1 Journal article
	Year	2018	Publication	Journal of CO2 utilization	Abbreviated Journal	J Co2 Util
	Volume	24	Issue		Pages	386-397
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Microwave (MW) plasmas represent a promising solution for efficient CO2 dissociation. MW discharges are also very versatile and can be sustained at various pressure and gas flow regimes. To identify the most favorable conditions for the further scale-up of the CO2 decomposition reaction, a MW plasma reactor operating in pure CO2 in a wide pressure range (200 mbar–1 bar) is studied. Three different gas flow configurations are explored: a direct, reverse and a vortex regime. The CO2 conversion and energy efficiency drop almost linearly with increasing pressure, regardless of the gas flow regime. The results obtained in the direct flow configuration underline the importance of post-discharge cooling, as the exhaust of the MW plasma reactor in this regime expanded into the vacuum chamber without additional quenching. As a result, this system yields exhaust temperatures of up to 1000 K, which explains the lowest conversion (∼3.5% at 200 mbar and 2% at 1 bar). A post-discharge cooling step is introduced for the reverse gas inlet regime and allows the highest conversion to be achieved (∼38% at 200 mbar and 6.2% at 1 bar, with energy efficiencies of 23% and 3.7%). Finally, a tangential gas inlet is utilized in the vortex configuration to generate a swirl flow pattern. This results in the generation of a stable discharge in a broader range of CO2 flows (15–30 SLM) and the highest energy efficiencies obtained in this study (∼25% at 300 mbar and ∼13% at 1 bar, at conversions of 21% and 12%). The experimental results are complemented with computational fluid dynamics simulations and with the analysis of the latest literature to identify the further research directions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000428234500045	Publication Date	2018-03-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2212-9820	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.292	Times cited	8	Open Access	Not_Open_Access: Available from 16.03.2020
	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 (R			Approved	Most recent IF: 4.292
	Call Number	PLASMANT @ plasmant @c:irua:150874			Serial	4955
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	Author	Nematollahi, P.; Neyts, E.C.
	Title	A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube			Type	A1 Journal article
	Year	2018	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	439	Issue	439	Pages	934-945
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000427457100112	Publication Date	2018-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	8	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.387
	Call Number	UA @ lucian @ c:irua:150745			Serial	4960
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	Author	Garud, S.; Gampa, N.; Allen, T.G.; Kotipalli, R.; Flandre, D.; Batuk, M.; Hadermann, J.; Meuris, M.; Poortmans, J.; Smets, A.; Vermang, B.
	Title	Surface passivation of CIGS solar cells using gallium oxide			Type	A1 Journal article
	Year	2018	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	215	Issue	7	Pages	1700826
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430128500015	Publication Date	2018-02-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	8	Open Access	Not_Open_Access
	Notes	; The work published in this paper was supported by the European Research Council (ERC) under the Union's Horizon 2020 research and innovation programme (grant agreement No 715027). The authors would also like to thank Dr. Marcel Simor (Solliance) for the CIGS layer fabrication and Prof. Johan Lauwaert (Universtiy of Ghent) for his guidance on DLTS measurements. ;			Approved	Most recent IF: 1.775
	Call Number	UA @ lucian @ c:irua:150761			Serial	4981
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	Author	van den Bos, K.H.W.; Altantzis, T.; De Backer, A.; Van Aert, S.; Bals, S.
	Title	Recent breakthroughs in scanning transmission electron microscopy of small species			Type	A1 Journal article
	Year	2018	Publication	Advances in Physics: X	Abbreviated Journal	Advances in Physics: X
	Volume	3	Issue	3	Pages	1480420
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Over the last decade, scanning transmission electron microscopy has become one of the most powerful tools to characterise nanomaterials at the atomic scale. Often, the ultimate goal is to retrieve the three-dimensional structure, which is very challenging since small species are typically sensitive to electron irradiation. Nevertheless, measuring individual atomic positions is crucial to understand the relation between the structure and physicochemical properties of these (nano)materials. In this review, we highlight the latest approaches that are available to reveal the 3D atomic structure of small species. Finally, we will provide an outlook and will describe future challenges where the limits of electron microscopy will be pushed even further.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000441619500001	Publication Date	2018-08-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2374-6149	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	8	Open Access	OpenAccess
	Notes	This work was supported by the Research Foundation Flanders (FWO, Belgium) under Grant G.0368.15N, G.0369.15N, and G.0267.18N, by personal FWO Grants to K. H. W. van den Bos, T. Altantzis, and A. De Backer, and the European Research Council under Grant 335078 COLOURATOM to S. Bals. The authors would like to thank the colleagues who have contributed to this work over the years, including A. M. Abakumov, K. J. Batenburg, E. Countiño-Gonzalez, C. de Mello Donega, R. Erni, J. J. Geuchies, B. Goris, J. Hofkens, L. Jones, P. Lievens, L. M. Liz-Marzán, I. Lobato, G. T. Martinez, P. D. Nellist, B. Partoens, M. B. J. Roeffaers, M.D. Rossell, B. Schoeters, M. J. Van Bael, W. van der Stam, M. van Huis, G. Van Tendeloo, D. Vanmaekelbergh, and N. Winckelmans. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); saraecas; ECAS_Sara;			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:152820UA @ admin @ c:irua:152820			Serial	5007
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	Author	Kong, X.; Li, L.; Peeters, F.M.
	Title	Topological Dirac semimetal phase in <tex> $Ge_xSn_y alloys			Type	A1 Journal article
	Year	2018	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	112	Issue	25	Pages	251601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently, two stable allotropes (germancite and stancite) for the group IV elements (Ge and Sn) with a staggered layered dumbell structure were proposed to be three-dimensional (3D) topological Dirac semimetals [Phys. Rev. B 93, 241117 (2016)]. A pair of Dirac points is on the rotation axis away from the time-reversal invariant momentum, and the stability of the 3D bulk Dirac points is protected by the C-3 rotation symmetry. Here, we use the first principles calculations to investigate GexSny alloys which share the same rhombohedral crystal structure with the space group of D-3d(6). Six GexSny alloys are predicted to be energetically and dynamically stable, where (x, y) = (8, 6) and (6, 8) and the alpha and beta phases of (10, 4) and (4, 10). Our results demonstrate that all the six GexSny alloys are topological Dirac semimetals. The different nontrivial surface states and surface Fermi arcs are identified. Our work will substantially enrich the family of 3D Dirac semimetals which are within the reach of experimental realization. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000435987400013	Publication Date	2018-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; This work was supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-VI), and the FLAG-ERA Project TRANS 2D TMD. 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, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970			Serial	5045
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	Author	Sandoval, S.; Kepic, D.; Perez del Pino, A.; Gyorgy, E.; Gomez, A.; Pfannmöller, M.; Van Tendeloo, G.; Ballesteros, B.; Tobias, G.
	Title	Selective laser-assisted synthesis of tubular van der Waals heterostructures of single-layered PbI₂ within carbon nanotubes exhibiting carrier photogeneration			Type	A1 Journal article
	Year	2018	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	12	Issue	7	Pages	6648-6656
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The electronic and optical properties of two-dimensional layered materials allow the miniaturization of nanoelectronic and optoelectronic devices in a competitive manner. Even larger opportunities arise when two or more layers of different materials are combined. Here, we report on an ultrafast energy efficient strategy, using laser irradiation, which allows bulk synthesis of crystalline single-layered lead iodide in the cavities of carbon nanotubes by forming cylindrical van der Waals heterostructures. In contrast to the filling of van der Waals solids into carbon nanotubes by conventional thermal annealing, which favors the formation of inorganic nanowires, the present strategy is highly selective toward the growth of monolayers forming lead iodide nanotubes. The irradiated bulk material bearing the nanotubes reveals a decrease of the resistivity as well as a significant increase in the current flow upon illumination. Both effects are attributed to the presence of single-walled lead iodide nanotubes in the cavities of carbon nanotubes, which dominate the properties of the whole matrix. The present study brings in a simple, ultrafast and energy efficient strategy for the tailored synthesis of rolled-up single-layers of lead iodide (i.e., single-walled PbI2 nanotubes), which we believe could be expanded to other two-dimensional (2D) van der Waals solids. In fact, initial tests with ZnI2 already reveal the formation of single-walled ZnI2 nanotubes, thus proving the versatility of the approach.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000440505000029	Publication Date	2018-07-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	8	Open Access	OpenAccess
	Notes	; We acknowledge funding from MINECO (Spain), through MAT2017-86616-R, ENE2017-89210-C2-1-R, and “Severo Ochoa” Programme for Centres of Excellence in R&D (SEV-2015-0496, SEV-2013-0295), CERCA programme for funding ICN2 and support from AGAUR of Generalitat de Catalunya through the projects 2017 SGR 1086, 2017 SGR 581 and 2017 SGR 327. We thank Thomas Swan Co., Ltd., for supplying MWCNT Elicarb samples. D.K. acknowledges financial support from the Ministry of Education, Science, and Technological Development of the Republic of Serbia for postdoctoral research. We are grateful to R Rurali (ICMAB-CSIC) for providing the structural model of the PbI<INF>2</INF> nanotube employed for the schematic representation of PbI<INF>2</INF>@MVWCNT. ;			Approved	Most recent IF: 13.942
	Call Number	UA @ lucian @ c:irua:153169			Serial	5127
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	Author	Van der Donck, M.; Peeters, F.M.
	Title	Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	11	Pages	115432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000445507000009	Publication Date	2018-09-24
	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	8	Open Access
	Notes	; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:153622UA @ admin @ c:irua:153622			Serial	5125
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	Author	Van Pottelberge, R.; Van Duppen, B.; Peeters, F.M.
	Title	Electrical dipole on gapped graphene : bound states and atomic collapse			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	16	Pages	165420
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000447302700010	Publication Date	2018-10-23
	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	8	Open Access
	Notes	; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for R.V.P. and a postdoctoral grant for B.V.D. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:154728UA @ admin @ c:irua:154728			Serial	5094
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	Author	De Jong, M.; Florea, A.; de Vries, A.-M.; van Nuijs, A.L.N.; Covaci, A.; Van Durme, F.; Martins, J.C.; Samyn, N.; De Wael, K.
	Title	Levamisole : a common adulterant in cocaine street samples hindering electrochemical detection of cocaine			Type	A1 Journal article
	Year	2018	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	90	Issue	8	Pages	5290-5297
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
	Abstract	The present work investigates the electrochemical determination of cocaine in the presence of levamisole, one of the most common adulterants found in cocaine street samples. Levamisole misleads cocaine color tests, giving a blue color (positive test) even in the absence of cocaine. Moreover, the electrochemical detection of cocaine is also affected by the presence of levamisole, with a suppression of the oxidation signal of cocaine. When levamisole is present in the sample in ratios higher than 1:1, the cocaine signal is no longer detected, thus leading to false negative results. Mass spectrometry and nuclear magnetic resonance were used to investigate if the signal suppression is due to the formation of a complex between cocaine and levamisole in bulk solution. Strategies to eliminate this suppressing effect are further suggested in this manuscript. In a first approach, the increase of the pH of the sample solution from pH 7 to pH 12 allowed the voltammetric determination of cocaine in the presence of levamisole in a concentration range from 10 to 5000 μM at nonmodified graphite disposable electrodes with a detection limit of 5 μM. In a second approach, the graphite electrode was cathodically pretreated, resulting in the presence of oxidation peaks of both cocaine and levamisole, with a detection limit for cocaine of 3 μM over the linear range of concentrations from 10 to 2500 μM. Both these strategies have been successfully applied for the simultaneous detection of cocaine and levamisole in three street samples on unmodified graphite disposable electrodes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430512200049	Publication Date	2018-02-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	8	Open Access
	Notes	; This project has received funding from the European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. This work was also supported by BR/314/PI/ APTADRU Project and IOF-SBO (UAntwerp). Alexander van Nuijs acknowledges the Research Foundation-Flanders (FWO) for his postdoctoral fellowship. ;			Approved	Most recent IF: 6.32
	Call Number	UA @ admin @ c:irua:149528			Serial	5693
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	Author	Singh, B.R.; Timsina, Y.N.; Lind, O.C.; Cagno, S.; Janssens, K.
	Title	Zinc and iron concentration as affected by nitrogen fertilization and their localization in wheat grain			Type	A1 Journal article
	Year	2018	Publication	Frontiers in plant science	Abbreviated Journal	Front Plant Sci
	Volume	9	Issue	9	Pages
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Nearly half of the world cereal production comes from soils low or marginal in plant available zinc, leading to unsustainable and poor quality grain production. Therefore, the effects of nitrogen (N) rate and application time on zinc (Zn) and iron (Fe) concentration in wheat grain were investigated. Wheat (Triticum aestivum var. Krabat) was grown in a growth chamber with 8 and 16 h of day and night periods, respectively. The N rates were 29, 43, and 57 mg N kg(-1) soil, equivalent to 80, 120, and 160 kg N ha(-1). Zinc and Fe were applied at 10 mg kg(-1) growth media. In one of the N treatments, additional Zn and Fe through foliar spray (6 mg of Zn or Fe in 10 ml water / pot) was applied. Micro-analytical localization of Zn and Fe within grain was performed using scanning macro-X-ray fluorescence (MA-XRF) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS). The following data were obtained: grain and straw yield pot 1, 1000 grains weight, number of grains pot 1, whole grain protein content, concentration of Zn and Fe in the grains. Grain yield increased from 80 to 120 kg N ha(-1) rates only and decreased at 160 kg N ha(-1) g. Relatively higher protein content and Zn and Fe concentration in the grain were recorded with the split N application of 160 kg N ha(-1). Soil and foliar supply of Zn and Fe (Zn + Fes+f), with a single application of 120 kg N ha(-1) N at sowing, increased the concentration of Zn by 46% and of Fe by 35%, as compared to their growth media application only. Line scans of freshly cut areas of sliced grains showed co-localization of Zn and Fe within germ, crease and aleurone. We thus conclude that split application of N at 160 kg ha(-1) at sowing and stem elongation, in combination with soil and foliar application of Zn and Fe, can be a good agricultural practice to enhance protein content and the Zn and Fe concentration in grain.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000427034400002	Publication Date	2018-03-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1664-462x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.298	Times cited	8	Open Access
	Notes	; The research part of this master study was financed by the project “Mineral Improved Food and Feed Crops for Human and Animal Health” (Project No. 332160UA) and by a grant from the Norwegian Ministry of Foreign Affairs under the Program for Higher Education, Research and Development (HERD) in Western Balkan. The financial assistance for conducting this study is gratefully acknowledged. We also acknowledge the assistance by CERAD: this study has been funded by the Norwegian Research Council through its Centre of Excellence (CoE) funding scheme (Project No. 223268/F50). This research was supported by the Hercules Foundation (Brussels, Belgium) under grant AUHA09004 and FWO (Brussels, Belgium) Project Nos. G.0C12.13 and G.01769.09. ;			Approved	Most recent IF: 4.298
	Call Number	UA @ admin @ c:irua:149859			Serial	5924
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	Author	Thomassen, G.; Van Dael, M.; Van Passel, S.
	Title	The potential of microalgae biorefineries in Belgium and India : an environmental techno-economic assessment			Type	A1 Journal article
	Year	2018	Publication	Bioresource Technology	Abbreviated Journal	Bioresource Technol
	Volume	267	Issue	267	Pages	271-280
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	This study performs an environmental techno-economic assessment (ETEA) for multiple microalgae biorefinery concepts at different locations, those being Belgium and India. The ETEA methodology, which integrates aspects of the TEA and LCA methodologies and provides a clear framework for an integrated assessment model, has been proposed and discussed. The scenario in India has a higher profitability with a NPV of (sic)40 million over a period of 10 years, while the environmental impact in Belgium is lower. The inclusion of a medium recycling step provides the best scenario from both perspectives. The crucial parameters for feasibility are the beta-caroteneprice and content, the upstream environmental impact of electricity and the maximum biomass concentration during cultivation. The identification of these parameters by the ETEA guides future technology developments and shortens the time-to-market for microalgal-based biorefineries.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000441876100034	Publication Date	2018-07-10
	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; WoS full record; WoS citing articles
	Impact Factor	5.651	Times cited	8	Open Access
	Notes	; ;			Approved	Most recent IF: 5.651
	Call Number	UA @ admin @ c:irua:153599			Serial	6270
Permanent link to this record



	Author	Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A.
	Title	Atomic scale simulation of H₂O₂permeation through aquaporin: toward the understanding of plasma cancer treatment			Type	A1 Journal article
	Year	2018	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	51	Issue	12	Pages	125401
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000426378100001	Publication Date	2018-02-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	7	Open Access	OpenAccess
	Notes	MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively).			Approved	Most recent IF: 2.588
	Call Number	PLASMANT @ plasmant @c:irua:149382			Serial	4811
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	Author	Grieb, T.; Tewes, M.; Schowalter, M.; Müller-Caspary, K.; Krause, F.F.; Mehrtens, T.; Hartmann, J.-M.; Rosenauer, A.
	Title	Quantitative HAADF STEM of SiGe in presence of amorphous surface layers from FIB preparation			Type	A1 Journal article
	Year	2018	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	184	Issue	B	Pages	29-36
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('The chemical composition of four Si1-xGex layers grown on silicon was determined from quantitative scanning transmission electron microscopy (STEM). The chemical analysis was performed by a comparison of the high-angle annular dark field (HAADF) intensity with multislice simulations. It could be shown that amorphous surface layers originating from the preparation process by focused-ion beam (FIB) at 30 kV have a strong influence on the quantification: the local specimen thickness is overestimated by approximately a factor of two, and the germanium concentration is substantially underestimated. By means of simulations, the effect of amorphous surface layers on the HAADF intensity of crystalline silicon and germanium is investigated. Based on these simulations, a method is developed to analyze the experimental HAADF-STEM images by taking the influence of the amorphous layers into account which is done by a reduction of the intensities by multiplication with a constant factor. This suggested modified HAADF analysis gives germanium concentrations which are in agreement with the nominal values. The same TEM lamella was treated with low-voltage ion milling which removed the amorphous surface layers completely. The results from subsequent quantitative HAADF analyses are in agreement with the nominal concentrations which validates the applicability of the used frozen-lattice based multislice simulations to describe the HAADF scattering of Si1-xGex in STEM. (C) 2017 Elsevier B.V. All rights reserved.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000417779800004	Publication Date	2017-10-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	7	Open Access	Not_Open_Access
	Notes	; This work was supported by the German Research Foundation (DFG) under Contract No. RO2057/11-1. ;			Approved	Most recent IF: 2.843
	Call Number	UA @ lucian @ c:irua:148500			Serial	4893
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	Author	Wu, J.; Zhang, L.; Xin, X.; Zhang, Y.; Wang, H.; Sun, A.; Cheng, Y.; Chen, X.; Xu, G.
	Title	Electrorheological fluids with high shear stress based on wrinkly tin titanyl oxalate			Type	A1 Journal article
	Year	2018	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	10	Issue	7	Pages	6785-6792
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Electrorheological (ER) fluids are considered as a type of smart fluids because their rheological characteristics can be altered through an electric field. The discovery of giant ER effect revived the researchers' interest in the ER technological area. However, the poor stability including the insufficient dynamic shear stress, the large leakage current density, and the sedimentation tendency still hinders their practical applications. Herein, we report a facile and scalable coprecipitation method for synthesizing surfactant-free tin titanyl oxalate (TTO) particles with tremella-like wrinkly microstructure (W-TTO). The W-TTO-based ER fluids exhibit enhanced ER activity compared to that of the pristine TTO because of the improved wettability between W-TTO and the silicone oil. In addition, the static yield stress and leakage current of W-TTO ER fluids also show a fine time stability during the 30 day tests. More importantly, the dynamic shear stress of W-TTO ER fluids can remain stable throughout the shear rate range, which is valuable for their use in engineering applications. The results in this work provided a promising strategy to solving the long-standing problem of ER fluid stability. Moreover, this convenient route of synthesis may be considered a green approach for the mass production of giant ER materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000426143900081	Publication Date	2018-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	7	Open Access	OpenAccess
	Notes	; The work was supported by the National Natural Science Foundation of China (Grant 21573267, 11674335), the Youth Innovation Promotion Association CAS (2013196), and the Program for Ningbo Municipal Science and Technology Innovative Research Team (2015B11002, 2016B10005). ;			Approved	Most recent IF: 7.504
	Call Number	UA @ lucian @ c:irua:149911			Serial	4931
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	Author	Wang, W.; Berthelot, A.; Zhang, Q.; Bogaerts, A.
	Title	Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results?			Type	A1 Journal article
	Year	2018	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	51	Issue	20	Pages	204003
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430960600003	Publication Date	2018-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	7	Open Access	OpenAccess
	Notes	We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (Grant No. G.0383.16N) and the TOP-BOF project of the University of Antwerp. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen.			Approved	Most recent IF: 2.588
	Call Number	PLASMANT @ plasmant @c:irua:151292			Serial	4958
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	Author	Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M.V.
	Title	Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	13	Pages	134514
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000430161500004	Publication Date	2018-04-17
	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	7	Open Access
	Notes	; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF), the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001), the MultiSuper network, and the EU-COST NANOCOHYBRI action CA16218. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:150754UA @ admin @ c:irua:150754			Serial	4980
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	Author	Gao, M.; Zhang, Y.; Wang, H.; Guo, B.; Zhang, Q.; Bogaerts, A.
	Title	Mode Transition of Filaments in Packed-Bed Dielectric Barrier Discharges			Type	A1 Journal article
	Year	2018	Publication	Catalysts	Abbreviated Journal	Catalysts
	Volume	8	Issue	6	Pages	248
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We investigated the mode transition from volume to surface discharge in a packed bed dielectric barrier discharge reactor by a two-dimensional particle-in-cell/Monte Carlo collision method. The calculations are performed at atmospheric pressure for various driving voltages and for gas mixtures with different N2 and O2 compositions. Our results reveal that both a change of the driving voltage and gas mixture can induce mode transition. Upon increasing voltage, a mode transition from hybrid (volume+surface) discharge to pure surface discharge occurs, because the charged species can escape much more easily to the beads and charge the bead surface due to the strong electric field at high driving voltage. This significant surface charging will further enhance the tangential component of the electric field along the dielectric bead surface, yielding surface ionization waves (SIWs). The SIWs will give rise to a high concentration of reactive species on the surface, and thus possibly enhance the surface activity of the beads, which might be of interest for plasma catalysis. Indeed, electron impact excitation and ionization mainly take place near the bead surface. In addition, the propagation speed of SIWs becomes faster with increasing N2 content in the gas mixture, and slower with increasing O2 content, due to the loss of electrons by attachment to O2 molecules. Indeed, the negative O-2 ion density produced by electron impact attachment is much higher than the electron and positive O+2 ion density. The different ionization rates between N2 and O2 gases will create different amounts of electrons and ions on the dielectric bead surface, which might also have effects in plasma catalysis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000436128600027	Publication Date	2018-06-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2073-4344	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.082	Times cited	7	Open Access	OpenAccess
	Notes	The authors are very grateful to Wei Jiang for the useful discussions on the particle-incell/ Monte-Carlo collision model.			Approved	Most recent IF: 3.082
	Call Number	PLASMANT @ plasmant @c:irua:152171			Serial	4991
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	Author	Yusupov, M.; Lackmann, J.-W.; Razzokov, J.; Kumar, S.; Stapelmann, K.; Bogaerts, A.
	Title	Impact of plasma oxidation on structural features of human epidermal growth factor			Type	A1 Journal article
	Year	2018	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	15	Issue	8	Pages	1800022
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We perform computer simulations supported by experiments to investigate the oxidation of an important signaling protein, that is, human epidermal growth factor (hEGF), caused by cold atmospheric plasma (CAP) treatment. Specifically, we study the conformational changes of hEGF with different degrees of oxidation, to mimic short and long CAP treatment times. Our results indicate that the oxidized structures become more flexible, due to their conformational changes and breakage of the disulfide bonds, especially at higher oxidation degrees. MM/GBSA calculations reveal that an increasing oxidation level leads to a lower binding free energy of hEGF with its receptor. These results help to understand the fundamentals of the use of CAP for wound healing versus cancer treatment at short and longer treatment times.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000441895700004	Publication Date	2018-05-07
	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	7	Open Access	Not_Open_Access
	Notes	Fonds Wetenschappelijk Onderzoek, 1200216N ; Bundesministerium für Bildung und Forschung, 03Z22DN12 ;			Approved	Most recent IF: 2.846
	Call Number	PLASMANT @ plasmant @c:irua:152815			Serial	5008
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	Author	de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P.
	Title	Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide			Type	A1 Journal article
	Year	2018	Publication	Physical review applied	Abbreviated Journal	Phys Rev Appl
	Volume	9	Issue	9	Pages	054039
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a-IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal-metal or oxygen-oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a-IGZO, the most important point defects are metal-metal bonds (or small metal clusters) and peroxides (O-O single bonds). Electrons are captured by metal-metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a-IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive-and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	College Park, Md	Editor
	Language		Wos	000433070900003	Publication Date	2018-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2331-7019	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.808	Times cited	7	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.808
	Call Number	UA @ lucian @ c:irua:151497			Serial	5019
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