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	Author	Contino, A.; Ciofi, I.; Wu, X.; Asselberghs, I.; Celano, U.; Wilson, C.J.; Tokei, Z.; Groeseneken, G.; Sorée, B.
	Title	Modeling of edge scattering in graphene interconnects			Type	A1 Journal article
	Year	2018	Publication	IEEE electron device letters	Abbreviated Journal	Ieee Electr Device L
	Volume	39	Issue	7	Pages	1085-1088
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphene interconnects are being considered as a promising candidate for beyond CMOS applications, thanks to the intrinsic higher carrier mobility, lower aspect ratio and better reliability with respect to conventional Cu damascene interconnects. However, similarly to Cu, line edge roughness can seriously affect graphene resistance, something which must be taken into account when evaluating the related performance benefits. In this letter, we present a model for assessing the impact of edge scattering on the resistance of graphene interconnects. Our model allows the evaluation of the total mean free path in graphene lines as a function of graphene width, diffusive scattering probability and edge roughness standard deviation and autocorrelation length. We compare our model with other models from literature by benchmarking them using the same set of experimental data. We show that, as opposed to the considered models from literature, our model is capable to describe the mobility drop with scaling caused by significantly rough edges.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000437087400041	Publication Date	2018-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0741-3106	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.048	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 3.048
	Call Number	UA @ lucian @ c:irua:152465UA @ admin @ c:irua:152465			Serial	5114
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	Author	Aierken, Y.; Leenaerts, O.; Peeters, F.M.
	Title	First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	23	Pages	235436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000436192300006	Publication Date	2018-06-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	1	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478			Serial	5104
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	Author	Zhang, Q.-Z.; Bogaerts, A.
	Title	Capacitive electrical asymmetry effect in an inductively coupled plasma reactor			Type	A1 Journal Article
	Year	2018	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	27	Issue	10	Pages	105019
	Keywords	A1 Journal Article; electrical asymmetry effect, inductively coupled plasma, self-bias, independent control of the ion fluxes and ion energy; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	The electrical asymmetry effect is realized by applying multiple frequency power sources (13.56 MHz and 27.12 MHz) to a capacitively biased substrate electrode in a specific inductively coupled plasma reactor. On the one hand, by adjusting the phase angle θ between the multiple frequency power sources, an almost linear self-bias develops on the substrate electrode, and consequently the ion energy can be well modulated, while the ion flux stays constant within a large range of θ. On the other hand, the plasma density and ion flux can be significantly modulated by tuning the inductive power supply, while only inducing a small change in the self- bias. Independent control of self-bias/ion energy and ion flux can thus be realized in this specific inductively coupled plasma reactor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000448434100001	Publication Date	2018-10-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	1	Open Access	Not_Open_Access
	Notes	We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604). This work was carried out in part using the Turing HPC infrastructure at 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 University of Antwerp.			Approved	Most recent IF: 3.302
	Call Number	PLASMANT @ plasmant @c:irua:155506			Serial	5069
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	Author	Razzokov, J.; Naderi, S.; van der Schoot, P.
	Title	Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units			Type	A1 Journal article
	Year	2018	Publication	Physical biology	Abbreviated Journal	Phys. Biol.
	Volume	15	Issue	6	Pages	066010
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly. According to our simulations, the β-roll and β-sheet aggregates must be approximately equally stable.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000444467000001	Publication Date	2018-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-3975	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO).			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:153803c:irua:153596			Serial	5050
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	Author	Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
	Title	Self-consistent procedure including envelope function normalization for full-zone Schrodinger-Poisson problems with transmitting boundary conditions			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	124	Issue	20	Pages	204501
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the quantum mechanical simulation of exploratory semiconductor devices, continuum methods based on a k.p/envelope function model have the potential to significantly reduce the computational burden compared to prevalent atomistic methods. However, full-zone k.p/envelope function simulation approaches are scarce and existing implementations are not self-consistent with the calculation of the electrostatic potential due to the lack of a stable procedure and a proper normalization of the multi-band envelope functions. Here, we therefore present a self-consistent procedure based on a full-zone spectral k.p/envelope function band structure model. First, we develop a proper normalization for the multi-band envelope functions in the presence of transmitting boundary conditions. This enables the calculation of the free carrier densities. Next, we construct a procedure to obtain self-consistency of the carrier densities with the electrostatic potential. This procedure is stabilized with an adaptive scheme that relies on the solution of Poisson's equation in the Gummel form, combined with successive underrelaxation. Finally, we apply our procedure to homostructure In0.53Ga0.47As tunnel field-effect transistors (TFETs) and staggered heterostructure GaAs0.5Sb0.5/In0.53Ga0.47As TFETs and show the importance of self-consistency on the device predictions for scaled dimensions. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000451743900015	Publication Date	2018-11-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	1	Open Access
	Notes	; This work was supported by imec's Industrial Affiliation Program. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ admin @ c:irua:156291			Serial	5228
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	Author	Sankaran, K.J.; Deshmukh, S.; Korneychuk, S.; Yeh, C.-J.; Thomas, J.P.; Drijkoningen, S.; Pobedinskas, P.; Van Bael, M.K.; Verbeeck, J.; Leou, K.-C.; Leung, K.-T.; Roy, S.S.; Lin, I.-N.; Haenen, K.
	Title	Fabrication, microstructure, and enhanced thermionic electron emission properties of vertically aligned nitrogen-doped nanocrystalline diamond nanorods			Type	A1 Journal article
	Year	2018	Publication	MRS communications	Abbreviated Journal	Mrs Commun
	Volume	8	Issue	3	Pages	1311-1320
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Vertically aligned nitrogen-doped nanocrystalline diamond nanorods are fabricated from nitrogen-doped nanocrystalline diamond films using reactive ion etching in oxygen plasma. These nanorods show enhanced thermionic electron emission (TEE) characteristics, viz.. a high current density of 12.0 mA/cm(2) and a work function value of 4.5 eV with an applied voltage of 3 Vat 923 K. The enhanced TEE characteristics of these nanorods are ascribed to the induction of nanographitic phases at the grain boundaries and the field penetration effect through the local field enhancement from nanorods owing to a high aspect ratio and an excellent field enhancement factor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000448887900089	Publication Date	2018-08-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2159-6859; 2159-6867	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.01	Times cited	1	Open Access
	Notes	The authors thank the financial support of the Research Foundation Flanders (FWO) via Research Grant 12I8416N and Research Project 1519817N, and the Methusalem “NANO” network. The Hercules Foundation Flanders is acknowledged for financial support of the Raman equipment. The Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S.K. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. K.J. Sankaran and P. Pobedinskas are Postdoctoral Fellows of FWO.			Approved	Most recent IF: 3.01
	Call Number	UA @ admin @ c:irua:155521			Serial	5364
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	Author	Eliaerts, J.; Meert, N.; Van Durme, F.; Samyn, N.; De Wael, K.; Dardenne, P.
	Title	Practical tool for sampling and fast analysis of large cocaine seizures			Type	A1 Journal article
	Year	2018	Publication	Drug testing and analysis	Abbreviated Journal	Drug Test Anal
	Volume	10	Issue	6	Pages	1039-1042
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Large quantities of illicit drugs are frequently seized by law enforcement. In such cases, a representative number of samples needs to be quickly examined prior to destruction. No procedure has yet been set up which rapidly provides information regarding the homogeneity of the samples, the presence of controlled substances and the degree of purity. This study establishes a protocol for fast analysis of cocaine and its most common cutting agent, levamisole, in large seizures. The protocol is based on a hypergeometric sampling approach combined with FTIR spectrometry and Support Vector Machines (SVM) algorithms as analysis methods. To demonstrate the practical use of this approach, five large cocaine seizures (consisting between 45 and 85 units) were analysed simultaneously with GC-MS, GC-FID and a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling combined with SVM models. According to the hypergeometric sampling plan of the Drugs Working Group ENFSI guidelines, the required number of subsamples ranged between 19 and 23. Considering the identification analyses, the SVM models detected cocaine and levamisole in all subsamples of cases 1 to 5 (100% correct classification), which was confirmed by GC-MS analysis. Considering the quantification analyses, the SVM models were able to estimate the cocaine and levamisole content in each subsample, compared to GC-FID data. The developed strategy is easy, cost effective and provides immediate information about both the presence and concentration of cocaine and levamisole. By using this new strategy, the number of confirmation analyses with laborious and expensive chromatographic techniques could be significantly reduced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000435270300016	Publication Date	2018-02-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1942-7603; 1942-7611	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.469	Times cited	1	Open Access
	Notes	; Belgian Science Policy Office (BELSPO), Grant/Award Number: WE/49/N14-O14 ;			Approved	Most recent IF: 3.469
	Call Number	UA @ admin @ c:irua:148760			Serial	5781
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	Author	Biely, K.; Maes, D.; Van Passel, S.
	Title	Market power extended : from Foucault to Meadows			Type	A1 Journal article
	Year	2018	Publication	Sustainability	Abbreviated Journal	Sustainability-Basel
	Volume	10	Issue	8	Pages	2843-23
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Market power is a complex matter that is approximated with quantitative indicators within economics. However, these indicators may not fully capture market power, or they may fail to identify it, although it may be present. Moreover, a quantitative approach restricts market power as a concept, impeding the ability to discuss its relationship with other concepts, such as sustainability. This paper extends the definition of market power, following Foucaults understanding of power and the associated theoretical discussions of power from different disciplines. We extended Foucaults work by including systems thinking to capture the importance of the prevalent systems paradigm, which is the ultimate initiator of action. Apart from distinguishing different elements of power, we also integrate an instrumental view on the elements of power. The developed frame allows us to understand the dynamic character of power as a force that strives to maintain or ameliorate the position of the paradigm that it serves. Based on this frame, we outline how this extended understanding of power can be used to analyze market power itself, and its relation with sustainability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000446767700259	Publication Date	2018-08-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2071-1050	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	1.789	Times cited	1	Open Access
	Notes	; This research was performed within the frame of the HORIZON 2020 project SUFISA with the grant agreement number 635577. ;			Approved	Most recent IF: 1.789
	Call Number	UA @ admin @ c:irua:154139			Serial	6224
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	Author	Biely, K.; Maes, D.; Van Passel, S.
	Title	The idea of weak sustainability is illegitimate			Type	A1 Journal article
	Year	2018	Publication	Environment, development and sustainability	Abbreviated Journal
	Volume	20	Issue	1	Pages	223-232
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Since the introduction of the sustainability challenge, scientists disagree over the interpretation of the term sustainability. Weak and strong sustainability are the two main interpretations of sustainability, which are opposing each other. Some researchers stated that the interpretation of the term depends on the context; others disagree pointing out that it always implies the meaning of continuation. The term sustainability can be used as attribute, which adds a certain characteristic to the noun. If something can be attributed as being sustainable, it can also be unsustainable. The sustainability challenge consists of shifting from the current unsustainable towards a sustainable system. This paper outlines that the weak sustainability term is illegitimate, as it leads to a contradiction with the acknowledged assumption that the current state is unsustainable. This contradiction is revealed through an analysis of the occurrence of decoupling in agriculture: Agricultural land use could be decoupled from agricultural production, but only with the trade-off of massive increases in fertilizer, pesticide, energy and water usage. This paper outlines an inherent inconsistency within the ongoing discussion about the interpretation of sustainability. Through identifying the invalidity of the weak sustainability interpretation the focus can be shifted form the discourse to the sustainability challenge itself.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000423142700011	Publication Date	2016-10-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-585x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes	; The authors would like to thank the reviewers for their time and their comments on the draft version. This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:149043			Serial	6212
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	Author	Vanschoenwinkel, J.; Van Passel, S.
	Title	Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation			Type	A1 Journal article
	Year	2018	Publication	Climatic Change	Abbreviated Journal	Climatic Change
	Volume	147	Issue	1-2	Pages	225-234
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000425959700017	Publication Date	2018-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0165-0009	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	3.496	Times cited	1	Open Access
	Notes	; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ;			Approved	Most recent IF: 3.496
	Call Number	UA @ admin @ c:irua:149895			Serial	6166
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	Author	Vishwakarma, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Mehta, B.R.
	Title	Nanoscale Characterization of Growth of Secondary Phases in Off-Stoichiometric CZTS Thin Films			Type	A1 Journal article
	Year	2018	Publication	Journal of nanoscience and nanotechnology	Abbreviated Journal	J Nanosci Nanotechno
	Volume	18	Issue	3	Pages	1688-1695
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The presence of secondary phases is one of the main issues that hinder the growth of pure kesterite Cu2ZnSnS4 (CZTS) based thin films with suitable electronic and junction properties for efficient solar cell devices. In this work, CZTS thin films with varied Zn and Sn content have been prepared by RF-power controlled co-sputtering deposition using Cu, ZnS and SnS targets and a subsequent sulphurization step. Detailed TEM investigations show that the film shows a layered structure with the majority of the top layer being the kesterite phase. Depending on the initial thin film composition, either about ~1 μm Cu-rich and Zn-poor kesterite or stoichiometric CZTS is formed as top layer. X-ray diffraction, Raman spectroscopy and transmission electron microscopy reveal the presence of Cu2−x S, ZnS and SnO2 minor secondary phases in the form of nanoinclusions or nanoparticles or intermediate layers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000426033400022	Publication Date	2018-03-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1533-4880	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.483	Times cited		Open Access	Not_Open_Access
	Notes	Manoj Vishwakarma acknowl- edges IIT Delhi for MHRD fellowship. Professor B. R. Mehta acknowledges the support of the Schlumberger chair professorship. Manoj Vishwakarma, Joke Hadermann and Olesia M. karakulina acknowledge support provided by InsoL-DST. Manoj Vishwakarma acknowledges sup- port provided by CSIR funded projects and the support of DST-FIST Raman facility. References			Approved	Most recent IF: 1.483
	Call Number	EMAT @ emat @c:irua:147505			Serial	4775
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	Author	Schattschneider, P.; Schachinger, T.; Verbeeck, J.
	Title	Ein Whirlpool aus Elektronen: Transmissions-Elektronenmikroskopie mit Elektronenwirbeln			Type	A1 Journal article
	Year	2018	Publication	Physik in unserer Zeit	Abbreviated Journal	Phys. Unserer Zeit
	Volume	49	Issue	1	Pages	22-28
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Elektronen bewegen sich im feldfreien Raum immer gleichförmig geradlinig, so steht es in den Lehrbüchern. Falsch, sagen wir. Elektronen lassen sich zu Tornados formen, die theoretisch Nanopartikel zerreißen können. In der Elektronenmikroskopie eingesetzt, versprechen sie neue Erkenntnisse in der Festkörperphysik.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2018-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9252	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @c:irua:148159			Serial	4806
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	Author	Alania, M.; Lobato Hoyos, I.P.; Van Aert, S.
	Title	Frozen lattice and absorptive model for high angle annular dark field scanning transmission electron microscopy : a comparison study in terms of integrated intensity and atomic column position measurement			Type	A1 Journal article
	Year	2018	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	184	Issue	A	Pages	188-198
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('In this paper, both the frozen lattice (FL) and the absorptive potential (AP) approximation models are compared in terms of the integrated intensity and the precision with which atomic columns can be located from an image acquired using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM). The comparison is made for atoms of Cu, Ag, and Au. The integrated intensity is computed for both an isolated atomic column and an atomic column inside an FCC structure. The precision has been computed using the so-called Cramer-Rao Lower Bound (CRLB), which provides a theoretical lower bound on the variance with which parameters can be estimated. It is shown that the AP model results into accurate measurements for the integrated intensity only for small detector ranges under relatively low angles and for small thicknesses. In terms of the attainable precision, both methods show similar results indicating picometer range precision under realistic experimental conditions. (C) 2017 Elsevier B.V. All rights reserved.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000415650200022	Publication Date	2017-09-12
	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		Open Access	OpenAccess
	Notes	; The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N, and G.0368.15N). A. Rosenauer is acknowledged for providing the STEMsim program. ;			Approved	Most recent IF: 2.843
	Call Number	UA @ lucian @ c:irua:147658			Serial	4877
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	Author	Radi, A.; Khalil-Allafi, J.; Etminanfar, M.R.; Pourbabak, S.; Schryvers, D.; Amin-Ahmadi, B.
	Title	Influence of stress aging process on variants of nano-N₄Ti₃precipitates and martensitic transformation temperatures in NiTi shape memory alloy			Type	A1 Journal article
	Year	2018	Publication	Materials & design	Abbreviated Journal	Mater Design
	Volume	262	Issue	262	Pages	74-81
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2018-01-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0264-1275	ISBN		Additional Links	UA library record; ; WoS full record; WoS citing articles
	Impact Factor	4.364	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.364
	Call Number	UA @ lucian @ c:irua:149854			Serial	4938
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	Author	De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B.
	Title	Resistivity scaling model for metals with conduction band anisotropy			Type	A1 Journal article
	Year	2018	Publication	Physical review materials	Abbreviated Journal
	Volume	2	Issue	3	Pages	033801
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	College Park, Md	Editor
	Language		Wos	000426787600001	Publication Date	2018-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2475-9953	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes	; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866			Serial	4947
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	Author	Kenawy, A.; Magnus, W.; Sorée, B.
	Title	Flux quantization and Aharonov-Bohm effect in superconducting rings			Type	A1 Journal article
	Year	2018	Publication	Journal of superconductivity and novel magnetism	Abbreviated Journal	J Supercond Nov Magn
	Volume	31	Issue	5	Pages	1351-1357
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Superconductivity is a macroscopic coherent state exhibiting various quantum phenomena such as magnetic flux quantization. When a superconducting ring is placed in a magnetic field, a current flows to expel the field from the ring and to ensure that the enclosed flux is an integer multiple of h/(2\|e\|). Although the quantization of magnetic flux in ring structures is extensively studied in literature, the applied magnetic field is typically assumed to be homogeneous, implicitly implying an interplay between field expulsion and flux quantization. Here, we propose to decouple these two effects by employing an Aharonov-Bohm-like structure where the superconducting ring is threaded by a magnetic core (to which the applied field is confined). Although the magnetic field vanishes inside the ring, the formation of vortices takes place, corresponding to a change in the flux state of the ring. The time evolution of the density of superconducting electrons is studied using the time-dependent Ginzburg-Landau equations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000429354100010	Publication Date	2017-10-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1557-1939	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.18	Times cited		Open Access
	Notes	; ;			Approved	Most recent IF: 1.18
	Call Number	UA @ lucian @ c:irua:150742UA @ admin @ c:irua:150742			Serial	4969
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	Author	Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P.
	Title	Self-assembly and clustering of magnetic peapod-like rods with tunable directional interaction			Type	A1 Journal article
	Year	2018	Publication	PLoS ONE	Abbreviated Journal	Plos One
	Volume	13	Issue	4	Pages	e0195552
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Based on extensive Langevin Dynamics simulations we investigate the structural properties of a two-dimensional ensemble of magnetic rods with a peapod-like morphology, i.e, rods consisting of aligned single dipolar beads. Self-assembled configurations are studied for different directions of the dipole with respect to the rod axis. We found that with increasing misalignment of the dipole from the rod axis, the smaller the packing fraction at which the percolation transition is found. For the same density, the system exhibits different aggregation states for different misalignment. We also study the stability of the percolated structures with respect to temperature, which is found to be affected by the microstructure of the assembly of rods.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-6203	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.806	Times cited		Open Access
	Notes				Approved	Most recent IF: 2.806
	Call Number	UA @ lucian @ c:irua:150778UA @ admin @ c:irua:150778			Serial	4977
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	Author	Razzokov, J.; Yusupov, M.; Bogaerts, A.
	Title	Possible Mechanism of Glucose Uptake Enhanced by Cold Atmospheric Plasma: Atomic Scale Simulations			Type	A1 Journal article
	Year	2018	Publication	Plasma	Abbreviated Journal
	Volume	1	Issue	1	Pages
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric plasma (CAP) has shown its potential in biomedical applications, such as wound healing, cancer treatment and bacterial disinfection. Recent experiments have provided evidence that CAP can also enhance the intracellular uptake of glucose molecules which is important in diabetes therapy. In this respect, it is essential to understand the underlying mechanisms of intracellular glucose uptake induced by CAP, which is still unclear. Hence, in this study we try to elucidate the possible mechanism of glucose uptake by cells by performing computer simulations. Specifically, we study the transport of glucose molecules through native and oxidized membranes. Our simulation results show that the free energy barrier for the permeation of glucose molecules across the membrane decreases upon increasing the degree of oxidized lipids in the membrane. This indicates that the glucose permeation rate into cells increases when the CAP oxidation level in the cell membrane is increased.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2018-06-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2571-6182	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes	The computational work was carried out using the Turing HPC infrastructure at 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: NA
	Call Number	PLASMANT @ plasmant @ plasma1010011c:irua:152176			Serial	4990
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	Author	De Backer, J.; Razzokov, J.; Hammerschmid, D.; Mensch, C.; Hafideddine, Z.; Kumar, N.; van Raemdonck, G.; Yusupov, M.; Van Doorslaer, S.; Johannessen, C.; Sobott, F.; Bogaerts, A.; Dewilde, S.
	Title	The effect of reactive oxygen and nitrogen species on the structure of cytoglobin: A potential tumor suppressor			Type	A1 Journal article
	Year	2018	Publication	Redox Biology	Abbreviated Journal	Redox Biol
	Volume	19	Issue		Pages	1-10
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Molecular Spectroscopy (MolSpec)
	Abstract	Many current anti-cancer therapies rely on increasing the intracellular reactive oxygen and nitrogen species (RONS) contents with the aim to induce irreparable damage, which subsequently results in tumor cell death. A novel tool in cancer therapy is the use of cold atmospheric plasma (CAP), which has been found to be very effective in the treatment of many different cancer cell types in vitro as well as in vivo, mainly through the vast generation of RONS. One of the key determinants of the cell's fate will be the interaction of RONS, generated by CAP, with important proteins, i.e. redox-regulatory proteins. One such protein is cytoglobin (CYGB), a recently discovered globin proposed to be involved in the protection of the cell against oxidative stress. In this study, the effect of plasma-produced RONS on CYGB was investigated through the treatment of CYGB with CAP for different treatment times. Spectroscopic analysis of CYGB showed that although chemical modifications occur, its secondary structure remains intact. Mass spectrometry experiments identified these modifications as oxidations of mainly sulfur-containing and aromatic amino acids. With longer treatment time, the treatment was also found to induce nitration of the heme. Furthermore, the two surface-exposed cysteine residues of CYGB were oxidized upon treatment, leading to the formation of intermolecular disulfide bridges, and potentially also intramolecular disulfide bridges. In addition, molecular dynamics and docking simulations confirmed, and further show, that the formation of an intramolecular disulfide bond, due to oxidative conditions, affects the CYGB 3D structure, thereby opening the access to the heme group, through gate functioning of His117. Altogether, the results obtained in this study (1) show that plasma-produced RONS can extensively oxidize proteins and (2) that the oxidation status of two redox-active cysteines lead to different conformations of CYGB.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000449722100002	Publication Date	2018-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2213-2317	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited		Open Access	OpenAccess
	Notes	M.Y. and N.K. gratefully acknowledge financial support from the Research Foundation – Flanders (FWO), Grant nos. 1200216N and 12J5617N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI). C.M acknowledges the financial support provided by the Flemish Community and the University of Antwerp (BOF-NOI) for the pre-doctoral scholarship is under grant number/project ID: 28465. S.V.D., S. D. and Z.H. acknowledge the FWO (Grant G.0687.13) and the GOA-BOF UA 2013–2016 (project-ID 28312) for funding. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI.			Approved	Most recent IF: 6.337
	Call Number	PLASMANT @ plasmant @c:irua:152818			Serial	5006
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	Author	Vanherck, J.; Sorée, B.; Magnus, W.
	Title	Anisotropic bulk and planar Heisenberg ferromagnets in uniform, arbitrarily oriented magnetic fields			Type	A1 Journal article
	Year	2018	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	30	Issue	27	Pages	275801
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Today, further downscaling of mobile electronic devices poses serious problems, such as energy consumption and local heat dissipation. In this context, spin wave majority gates made of very thin ferromagnetic films may offer a viable alternative. However, similar downscaling of magnetic thin films eventually enforces the latter to operate as quasi-2D magnets, the magnetic properties of which are not yet fully understood, especially those related to anisotropies and external magnetic fields in arbitrary directions. To this end, we have investigated the behaviour of an easy-plane and easy-axis anisotropic ferromagnet-both in two and three dimensions-subjected to a uniform magnetic field, applied along an arbitrary direction. In this paper, a spin-1/2 Heisenberg Hamiltonian with anisotropic exchange interactions is solved using double-time temperature-dependent Green's functions and the Tyablikov decoupling approximation. We determine various magnetic properties such as the Curie temperature and the magnetization as a function of temperature and the applied magnetic field, discussing the impact of the system's dimensionality and the type of anisotropy. The magnetic reorientation transition taking place in anisotropic Heisenberg ferromagnets is studied in detail. Importantly, spontaneous magnetization is found to be absent for easy-plane 2D spin systems with short range interactions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000434980600001	Publication Date	2018-05-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited		Open Access
	Notes	; ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:151945UA @ admin @ c:irua:151945			Serial	5012
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	Author	Du, C.; Hoefnagels, J.P.M.; Kolling, S.; Geers, M.G.D.; Sietsma, J.; Petrov, R.; Bliznuk, V.; Koenraad, P.M.; Schryvers, D.; Amin-Ahmadi, B.
	Title	Martensite crystallography and chemistry in dual phase and fully martensitic steels			Type	A1 Journal article
	Year	2018	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	139	Issue		Pages	411-420
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Lath martensite is important in industry because it is the key strengthening component in many advanced high strength steels. The study of crystallography and chemistry of lath martensite is extensive in the literature, however, mostly based on fully martensitic steels. In this work, lath martensite in dual phase steels is investigated with a focus on the substructure identification of the martensite islands and microstructural bands using electron backscattered diffraction, and on the influence of the accompanied tempering process during industrial coating process on the distribution of alloying elements using atom probe tomography. Unlike findings for the fully martensitic steels, no martensite islands with all 24 Kurdjumov-Sachs variants have been observed. Almost all martensite islands contain only one main packet with all six variants and minor variants from the remaining three packets of the same prior austenite grain. Similarly, the martensite bands are typically composed of connected domains originating from prior austenite grains, each containing one main packets (mostly with all variants) and few separate variants. The effect of tempering at similar to 450 degrees C (due to the industrial zinc coating process) has also been investigated. The results show a strong carbon partitioning to lath boundaries and Cottrell atmospheres at dislocation core regions due to the thermal process of coating. In contrast, auto-tempering contributes to the carbon redistribution only in a limited manner. The substitutional elements are all homogenously distributed. The phase transformation process has two effects on the material: mechanically, the earlier-formed laths are larger and softer and therefore more ductile (as revealed by nanoindentation); chemically, due to the higher dislocation density inside the later-formed laths, which are generally smaller, carbon Cottrell atmospheres are predominantly observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000431469300044	Publication Date	2018-03-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1044-5803	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.714	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 2.714
	Call Number	UA @ lucian @ c:irua:151554			Serial	5033
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	Author	Barreca, D.; Gri, F.; Gasparotto, A.; Altantzis, T.; Gombac, V.; Fornasiero, P.; Maccato, C.
	Title	Insights into the Plasma-Assisted Fabrication and Nanoscopic Investigation of Tailored MnO₂Nanomaterials			Type	A1 Journal Article
	Year	2018	Publication	Inorganic Chemistry	Abbreviated Journal	Inorg Chem
	Volume	57	Issue	23	Pages	14564-14573
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Among transition metal oxides, MnO2 is of considerable importance for various technological end-uses,from heterogeneous catalysis to gas sensing, owing to its structural flexibility and unique properties at the nanoscale. In this work, we demonstrate the successful fabrication of supported MnO2 nanomaterials by a catalyst-free, plasmaassisted process starting from a fluorinated manganese(II) molecular source in Ar/O2 plasmas. A thorough multitechnique characterization aimed at the systematic investigation of material structure, chemical composition, and morphology revealed the formation of F-doped, oxygendeficient, MnO2-based nanomaterials, with a fluorine content tunable as a function of growth temperature (TG). Whereas phase-pure β-MnO2 was obtained for 100 °C ≤ TG ≤ 300 °C, the formation of mixed phase MnO2 + Mn2O3 nanosystems took place at 400 °C. In addition, the system nano-organization could be finely tailored, resulting in a controllable evolution from wheat-ear columnar arrays to high aspect ratio pointed-tip nanorod assemblies. Concomitantly, magnetic force microscopy analyses suggested the formation of spin domains with features dependent on material morphology. Preliminary tests in Vislight activated photocatalytic degradation of rhodamine B aqueous solutions pave the way to possible applications of the target materials in wastewater purification.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000452344400016	Publication Date	2018-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited		Open Access	Not_Open_Access
	Notes	The present work was financially supported by Padova University DOR 2016−2018 and P-DiSC #03BIRD2016- UNIPD projects. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium) and to Dr. Giorgio Carraro (Department of Chemical Sciences, Padova University, Italy) for valuable support and experimental assistance.			Approved	Most recent IF: 4.857
	Call Number	EMAT @ emat @c:irua:156245			Serial	5147
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	Author	Bogaerts, A.; Snoeckx, R.; Trenchev, G.; Wang, W.
	Title	Modeling for a Better Understanding of Plasma-Based CO2 Conversion			Type	H1 Book Chapter
	Year	2018	Publication	Plasma Chemistry and Gas Conversion	Abbreviated Journal
	Volume		Issue		Pages
	Keywords	H1 Book Chapter; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	This chapter discusses modeling efforts for plasma-based CO2 conversion, which are needed to obtain better insight in the underlying mechanisms, in order to improve this application. We will discuss two types of (complementary) modeling efforts that are most relevant, that is, (i) modeling of the detailed plasma chemistry by zero-dimensional (0D) chemical kinetic models and (ii) modeling of reactor design, by 2D or 3D fluid dynamics models. By showing some characteristic calculation results of both models, for CO2 splitting and in combination with a H-source, and for packed bed DBD and gliding arc plasma, we can illustrate the type of information they can provide.
	Address
	Corporate Author				Thesis
	Publisher	IntechOpen	Place of Publication	Rijeka	Editor	Britun, N.; Silva, T.
	Language		Wos		Publication Date	2018-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @ Bogaerts18c:irua:155915			Serial	5142
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	Author	Kolev, S.; Bogaerts, A.
	Title	Three-dimensional modeling of energy transport in a gliding arc discharge in argon			Type	A1 Journal Article
	Year	2018	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	27	Issue	12	Pages	125011
	Keywords	A1 Journal Article; gliding arc discharge, sliding arc discharge, energy transport, fluid plasma model, atmospheric pressure plasmas; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	In this work we study energy transport in a gliding arc discharge with two diverging flat electrodes in argon gas at atmospheric pressure. The discharge is ignited at the shortest electrode gap and it is pushed downstream by a forced gas flow. The current values considered are relatively low and therefore a non-equilibrium plasma is produced. We consider two cases, i.e. with high and low discharge current (28 mA and 2.8mA), and a constant gas flow of 10 lmin −1 , with a significant turbulent component to the velocity. The study presents an analysis of the various energy transport mechanisms responsible for the redistribution of Joule heating to the plasma species and the moving background gas. The objective of this work is to provide a general understanding of the role of the different energy transport mechanisms in arc formation and sustainment, which can be used to improve existing or new discharge designs. The work is based on a three-dimensional numerical model, combining a fluid plasma model, the shear stress transport Reynolds averaged Navier–Stokes turbulent gas flow model, and a model for gas thermal balance. The obtained results show that at higher current the discharge is constricted within a thin plasma column several hundred kelvin above room temperature, while in the low- current discharge the combination of intense convective cooling and low Joule heating prevents discharge contraction and the plasma column evolves to a static non-moving diffusive plasma, continuously cooled by the flowing gas. As a result, the energy transport in the two cases is determined by different mechanisms. At higher current and a constricted plasma column, the plasma column is cooled mainly by turbulent transport, while at low current and an unconstricted plasma, the major cooling mechanism is energy transport due to non-turbulent gas convection. In general, the study also demonstrates the importance of turbulent energy transport in redistributing the Joule heating in the arc and its significant role in arc cooling and the formation of the gas temperature profile. In general, the turbulent energy transport lowers the average gas temperature in the arc, thus allowing additional control of thermal non-equilibrium in the discharge.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000454555600005	Publication Date	2018-12-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited		Open Access	Not_Open_Access
	Notes	This work was supported by the European Regional Devel- opment Fund within the Operational Programme ’Science and Education for Smart Growth 2014 – 2020’ under the Project CoE ’National center of mechatronics and clean technologies’ BG05M2OP001-1.001-0008-C01, and by the Flemish Fund for Scientific Research (FWO); grant no G.0383.16N.			Approved	Most recent IF: 3.302
	Call Number	PLASMANT @ plasmant @c:irua:155973			Serial	5140
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	Author	Hasanli, N.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Hayward, M.A.
	Title	Small-moment paramagnetism and extensive twinning in the topochemically reduced phase Sr₂ReLiO_5.5			Type	A1 Journal article
	Year	2018	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	47	Issue	44	Pages	15783-15790
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Reaction of the cation-ordered double perovskite Sr2ReLiO6 with dilute hydrogen at 475 degrees C leads to the topochemical deintercalation of oxide ions from the host lattice and the formation of a phase of composition Sr2ReLiO5.5, as confirmed by thermogravimetric and EELS data. A combination of neutron and electron diffraction data reveals the reduction process converts the -Sr2O2-ReLiO4-Sr2O2-ReLiO4- stacking sequence of the parent phase into a -Sr2O2-ReLiO3-Sr2O2-ReLiO4-, partially anion-vacant ordered sequence. Furthermore a combination of electron diffraction and imaging reveals Sr2ReLiO5.5 exhibits extensive twinning – a feature which can be attributed to the large, anisotropic volume expansion of the material on reduction. Magnetisation data reveal a strongly reduced moment of (eff) = 0.505(B) for the d(1) Re6+ centres in the phase, suggesting there remains a large orbital component to the magnetism of the rhenium centres, despite their location in low symmetry coordination environments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000450208000019	Publication Date	2018-10-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9226	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	4.029	Times cited		Open Access	Not_Open_Access
	Notes	Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC. NH acknowledges funding from the “State Programme on Education of Azerbaijani Youth Abroad in 2007-2015” by the Ministry of Education of Azerbaijan. J. V. and N. G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government.			Approved	Most recent IF: 4.029
	Call Number	EMAT @ emat @c:irua:155771			Serial	5137
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	Author	Yue-Feng, Z.; Chao, W.; Wang, W.-Z.; Li, L.; Hao, S.; Tao, S.; Jie, P.
	Title	Numerical simulation on particle density and reaction pathways in methane needle-plane discharge plasma at atmospheric pressure			Type	A1 Journal article
	Year	2018	Publication	Wuli xuebao	Abbreviated Journal	Acta Phys Sin-Ch Ed
	Volume	67	Issue	8	Pages	085202
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Methane needle-plane discharge has practical application prospect and scientific research significance since methane conversion heavy oil hydrogenation is formed by coupling methane needle-plane discharge with heavy oil hydrogenation, which can achieve high-efficient heavy oil hydrogenation and increase the yields of high value-added light olefins. In this paper, a two-dimensional fluid model is built up for numerically simulating the methane needle-plane discharge plasma at atmospheric pressure. Spatial and axial distributions of electric intensity, electron temperature and particle densities are obtained. Reaction yields are summarized and crucial pathways to produce various kinds of charged and neutral particles are found out. Simulation results indicate that axial evolutions of CH3+ and CH4+ densities, electric intensity and electron temperature are similar and closely related. The CH5+ and C2H5+ densities first increase and then decrease along the axial direction. The CH3 and H densities have nearly identical spatial and axial distributions. Particle density distributions of CH2, C2H4 and C2H5 are obviously different in the area near the cathode but comparatively resemblant in the positive column region. The CH3+ and CH4+ are produced by electron impact ionizations between electrons and CH4. The CH5+ and C2H5+ are respectively generated by molecular impact dissociations between CH3+ and CH4 and between CH4+ and CH4. Electron impact decomposition between electrons and CH4 is a dominated reaction to produce CH3, CH2, CH and H. The reactions between CH2 and CH4 and between electrons and C2H4 are critical pathways to produce C2H4 and C2H2, respectively. In addition, the yields of electron impact decomposition reactions between electrons and CH4 and reactions between CH2 and CH4 account for 52.15% and 47.85% of total yields of H-2 respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000443194600017	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1000-3290	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.624	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 0.624
	Call Number	UA @ lucian @ c:irua:153771			Serial	5120
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	Author	Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
	Title	Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs			Type	P1 Proceeding
	Year	2018	Publication	Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA	Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Ieee	Place of Publication	New york	Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-5386-3028-0	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:153780			Serial	5106
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	Author	Snoeckx, R.; Wang, W.; Zhang, X.; Cha, M.S.; Bogaerts, A.
	Title	Plasma-based multi-reforming for Gas-To-Liquid: tuning the plasma chemistry towards methanol			Type	A1 Journal article
	Year	2018	Publication	Scientific reports	Abbreviated Journal	Sci Rep-Uk
	Volume	8	Issue	1	Pages	15929
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Because of its unique properties, plasma technology has gained much prominence in the microelectronics industry. Recently, environmental and energy applications of plasmas have gained a lot of attention. In this area, the focus is on converting CO 2 and reforming hydrocarbons, with the goal of developing an efficient single-step ‘gas-to-liquid’ (GTL) process. Here we show that applying tri-reforming principles to plasma—further called ‘plasma-based multi-reforming’—allows us to better control the plasma chemistry and thus the formed products. To demonstrate this, we used chemical kinetics calculations supported by experiments and reveal that better control of the plasma chemistry can be achieved by adding O 2 or H 2 O to a mixture containing CH 4 and CO 2 (diluted in N 2 ). Moreover, by adding O 2 and H 2 O simultaneously, we can tune the plasma chemistry even further, improving the conversions, thermal efficiency and methanol yield. Unlike thermocatalytic reforming, plasma-based reforming is capable of producing methanol in a single step; and compared with traditional plasma-based dry reforming, plasma-based multi-reforming increases the methanol yield by more than seven times and the thermal efficiency by 49%, as revealed by our model calculations. Thus, we believe that by using plasma-based multi-reforming, ‘gas-to-liquid’ conversion may be made efficient and scalable.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000448589200005	Publication Date	2018-10-23
	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		Open Access	OpenAccess
	Notes	The authors acknowledge financial support from the Competitive Research Funding from King Abdullah University of Science and Technology (KAUST), the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304), the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N) and the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO). This work was carried out, in part, using the Turing HPC infrastructure at 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 University of Antwerp.			Approved	Most recent IF: 4.259
	Call Number	PLASMANT @ plasmant @c:irua:154868			Serial	5066
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	Author	Privat-Maldonado, A.; Gorbanev, Y.; Dewilde, S.; Smits, E.; Bogaerts, A.
	Title	Reduction of Human Glioblastoma Spheroids Using Cold Atmospheric Plasma: The Combined Effect of Short- and Long-Lived Reactive Species			Type	A1 Journal article
	Year	2018	Publication	Cancers	Abbreviated Journal	Cancers
	Volume	10	Issue	11	Pages	394
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric plasma (CAP) is a promising technology against multiple types of cancer. However, the current findings on the effect of CAP on two-dimensional glioblastoma cultures do not consider the role of the tumour microenvironment. The aim of this study was to determine the ability of CAP to reduce and control glioblastoma spheroid tumours in vitro . Three-dimensional glioblastoma spheroid tumours (U87-Red, U251-Red) were consecutively treated directly and indirectly with a CAP using dry He, He + 5% H 2 O or He + 20% H 2 O. The cytotoxicity and spheroid shrinkage were monitored using live imaging. The reactive oxygen and nitrogen species produced in phosphate buffered saline (PBS) were measured by electron paramagnetic resonance (EPR) and colourimetry. Cell migration was also assessed. Our results demonstrate that consecutive CAP treatments (He + 20% H 2 O) substantially shrank U87-Red spheroids and to a lesser degree, U251-Red spheroids. The cytotoxic effect was due to the short- and long-lived species delivered by CAP: they inhibited spheroid growth, reduced cell migration and decreased proliferation in CAP-treated spheroids. Direct treatments were more effective than indirect treatments, suggesting the importance of CAP-generated, short-lived species for the growth inhibition and cell cytotoxicity of solid glioblastoma tumours. We concluded that CAP treatment can effectively reduce glioblastoma tumour size and restrict cell migration, thus demonstrating the potential of CAP therapies for glioblastoma.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000451307700001	Publication Date	2018-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2072-6694	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes	The authors thank Paul Cos (Department of Pharmaceutical Sciences, University of Antwerp) for providing EPR equipment and Christophe Hermans for his help with the immunohistochemical experiments.			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:154871			Serial	5065
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	Author	Yang, C.; Batuk, M.; Jacquet, Q.; Rousse, G.; Yin, W.; Zhang, L.; Hadermann, J.; Abakumov, A.M.; Cibin, G.; Chadwick, A.; Tarascon, J.-M.; Grimaud, A.
	Title	Revealing pH-Dependent Activities and Surface Instabilities for Ni-Based Electrocatalysts during the Oxygen Evolution Reaction			Type	A1 Journal article
	Year	2018	Publication	ACS energy letters	Abbreviated Journal	Acs Energy Lett
	Volume		Issue		Pages	2884-2890
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Multiple electrochemical processes are involved at the catalyst/ electrolyte interface during the oxygen evolution reaction (OER). With the purpose of elucidating the complexity of surface dynamics upon OER, we systematically studied two Ni-based crystalline oxides (LaNiO3−δ and La2Li0.5Ni0.5O4) and compared them with the state-of-the-art Ni−Fe (oxy)- hydroxide amorphous catalyst. Electrochemical measurements such as rotating ring disk electrode (RRDE) and electrochemical quartz microbalance microscopy (EQCM) coupled with a series of physical characterizations including transmission electron microscopy (TEM) and X-ray absorption spectroscopy (XAS) were conducted to unravel the exact pH effect on both the OER activity and the catalyst stability. We demonstrate that for Ni-based crystalline catalysts the rate for surface degradation depends on the pH and is greater than the rate for surface reconstruction. This behavior is unlike that for the amorphous Ni oxyhydroxide catalyst, which is found to be more stable and pH-independent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000453805100005	Publication Date	2018-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2380-8195	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	Not_Open_Access: Available from 06.11.2019
	Notes	C.Y., J.-M.T., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC GrantProject 670116-ARPEMA. A.G. acknowledges financial support from the ANR MIDWAY (Project ID ANR-17-CE05- 0008). We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559.			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:155046			Serial	5067
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