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	Author	Peng, L.; Kassotaki, E.; Liu, Y.; Sun, J.; Dai, X.; Pijuan, M.; Rodriguez-Roda, I.; Buttiglieri, G.; Ni, B.-J.
	Title	Modelling cometabolic biotransformation of sulfamethoxazole by an enriched ammonia oxidizing bacteria culture			Type	A1 Journal article
	Year	2017	Publication	Chemical engineering science	Abbreviated Journal
	Volume	173	Issue		Pages	465-473
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Antibiotics such as sulfamethoxazole (SFX) are environmentally hazardous after being released into the aquatic environment and challenges remain in the development of engineered prevention strategies. In this work, a mathematical model was developed to describe and evaluate cometabolic biotransformation of SFX and its transformation products (TPs) in an enriched ammonia oxidizing bacteria (AOB) culture. The growth-linked cometabolic biodegradation by AOB, non-growth transformation by AOB and nongrowth transformation by heterotrophs were considered in the model framework. The production of major TPs comprising 4-Nitro-SFX, Desamino-SFX and N-4-Acetyl-SFX was also specifically modelled. The validity of the model was demonstrated through testing against literature reported data from extensive batch tests, as well as from long-term experiments in a partial nitritation sequencing batch reactor (SBR) and in a combined SBR + membrane aerated biofilm reactor performing nitrification/denitrification. Modelling results revealed that the removal efficiency of SFX increased with the increase of influent ammonium concentration, whereas the influent organic matter, hydraulic retention time and solid retention time exerted a limited effect on SFX biodegradation with the removal efficiencies varying in a narrow range. The variation of influent SFX concentration had no impact on SFX removal efficiency. The established model framework enables interpretation of a range of experimental observations on SFX biodegradation and helps to identify the optimal conditions for efficient removal. (C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000411764200039	Publication Date	2017-08-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2509	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:146629			Serial	8267
Permanent link to this record



	Author	Bottari, F.; De Wael, K.
	Title	Electrodeposition of gold nanoparticles on boron doped diamond electrodes for the enhanced reduction of small organic molecules			Type	A1 Journal article
	Year	2017	Publication	Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry.	Abbreviated Journal	J Electroanal Chem
	Volume	801	Issue		Pages	521-526
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The performance of gold nanoparticles electrodeposited on boron doped diamond (BDD) electrodes was investigated in respect to the reduction of chloramphenicol (CAP), an antibiotic of the phenicols family. The chosen deposition protocol, three nucleation-growing pulses, shows a remarkable surface coverage, with an even distribution of average-sized gold particles (~ 50 nm), and it was proven capable of generating a three-fold increase in the CAP reduction current. A calibration plot for CAP detection was obtained in the micromolar range (535 μM) with good correlation coefficient (0.9959) and an improved sensitivity of 0.053 μA μM− 1 mm− 2 compared to the electrochemistry of CAP at a bare BDD electrode.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000411847500065	Publication Date	2017-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1572-6657	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.012	Times cited	4	Open Access
	Notes	; This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO) (project G037415N). ;			Approved	Most recent IF: 3.012
	Call Number	UA @ admin @ c:irua:146372			Serial	5600
Permanent link to this record



	Author	Fedoseeva, Y.V.; Orekhov, A.S.; Chekhova, G.N.; Koroteev, V.O.; Kanygin, M.A.; Seovskiy, B.V.; Chuvilin, A.; Pontiroli, D.; Ricco, M.; Bulusheva, L.G.; Okotrub, A.V.
	Title	Single-walled carbon nanotube reactor for redox transformation of mercury dichloride			Type	A1 Journal article
	Year	2017	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	11	Issue	9	Pages	8643-8649
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Single-walled carbon nanotubes (SWCNTs) possessing a confined inner space protected by chemically resistant shells are promising for delivery, storage, and desorption of various compounds, as well as carrying out specific reactions. Here, we show that SWCNTs interact with molten mercury dichloride (HgCl2) and guide its transformation into dimercury dichloride (Hg2Cl2) in the cavity. The chemical state of host SWCNTs remains almost unchanged except for a small p-doping from the guest Hg2Cl2 nanocrystals. The density functional theory calculations reveal that the encapsulated HgCl2 molecules become negatively charged and start interacting via chlorine bridges when local concentration increases. This reduces the bonding strength in HgCl2, which facilitates removal of chlorine, finally leading to formation of Hg2Cl2 species. The present work demonstrates that SWCNTs not only serve as a template for growing nanocrystals but also behave as an electron-transfer catalyst in the spatially confined redox reaction by donation of electron density for temporary use by the guests.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000411918200012	Publication Date	2017-08-07
	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	11	Open Access	Not_Open_Access
	Notes	; Collaboration between partner institutions was partially supported by European FP7 IRSES project 295180. We are grateful to the bilateral Program “Russian-German Laboratory at BESSY II” for the assistance in XPS and NEXAFS measurements. We acknowledge C. Tollan for proofreading the manuscript. We are grateful to Dr. Y.V. Shubin for XRD measurements of graphite with HgCl<INF>2</ INF>. ;			Approved	Most recent IF: 13.942
	Call Number	UA @ lucian @ c:irua:146770			Serial	4895
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	Author	Montanarella, F.; Altantzis, T.; Zanaga, D.; Rabouw, F.T.; Bals, S.; Baesjou, P.; Vanmaekelbergh, D.; van Blaaderen, A.
	Title	Composite Supraparticles with Tunable Light Emission			Type	A1 Journal article
	Year	2017	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	11	Issue	11	Pages	9136-9142
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Robust luminophores emitting light with broadly tunable colors are desirable in many applications such as light-emitting diode (LED)-based lighting, displays, integrated optoelectronics and biology. Nanocrystalline quantum dots with multicolor emission, from core- and shell-localized excitons, as well as solid layers of mixed quantum dots that emit different colors have been proposed. Here, we report on colloidal supraparticles that are composed of three types of Cd(Se,ZnS) core/(Cd,Zn)S shell nanocrystals with emission in the red, green, and blue. The emission of the supraparticles can be varied from pure to composite colors over the entire visible region and finetuned into variable shades of white light by mixing the nanocrystals in controlled proportions. Our approach results in supraparticles with sizes spanning the colloidal domain and beyond that combine versatility and processability with a broad, stable, and tunable emission, promising applications in lighting devices and biological research.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000411918200062	Publication Date	2017-09-26
	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	36	Open Access	OpenAccess
	Notes	We thank J. J. Geuchies for help with the optical analysis, W. Vlug for providing silica particles filled with RITC, J. D. Meeldijk for his assistance with SE-STEM measurements, E. B. van der Wee for help with the calculation of the radial distribution functions, and M. van Huis and S. Dussi for very fruitful discussions. This work was supported by the European Comission via the Marie-Sklodowska Curie action Phonsi (H2020-MSCA-ITN-642656). D.V. wishes to thank the Dutch FOM (program DDC13), NWO−CW (Toppunt 718.015.002), and the European Research Council under HORIZON 2020 (grant 692691 FIRSTSTEP) for financial support. A.v.B. and F.M. acknowledge partial funding from the European Research Council under the European Union’s Seventh Framework Programme (FP-2007-2013)/ERC advanced grant agreement 291667: HierarSACol. S.B. and D.Z. acknowledge financial support from the European Research Council (starting grant no. COLOURATOM 335078), and T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. ECAS_Sara (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 13.942
	Call Number	EMAT @ emat @c:irua:146095UA @ admin @ c:irua:146095			Serial	4732
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	Author	Snoeckx, R.; Bogaerts, A.
	Title	Plasma technology – a novel solution for CO₂conversion?			Type	A1 Journal article
	Year	2017	Publication	Chemical Society reviews	Abbreviated Journal	Chem Soc Rev
	Volume	46	Issue	19	Pages	5805-5863
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	CO2 conversion into value-added chemicals and fuels is considered as one of the great challenges of the 21st century. Due to the limitations of the traditional thermal approaches, several novel technologies are being developed. One promising approach in this field, which has received little attention to date, is plasma technology. Its advantages include mild operating conditions, easy upscaling, and gas activation by energetic electrons instead of heat. This allows thermodynamically difficult reactions, such as CO2 splitting and the dry reformation of methane, to occur with reasonable energy cost. In this review, after exploring the traditional thermal approaches, we have provided a brief overview of the fierce competition between various novel approaches in a quest to find the most effective and efficient CO2 conversion technology. This is needed to critically assess whether plasma technology can be successful in an already crowded arena. The following questions need to be answered in this regard: are there key advantages to using plasma technology over other novel approaches, and if so, what is the flip side to the use of this technology? Can plasma technology be successful on its own, or can synergies be achieved by combining it with other technologies? To answer these specific questions and to evaluate the potentials and limitations of plasma technology in general, this review presents the current state-of-the-art and a critical assessment of plasma-based CO2 conversion, as well as the future challenges for its practical implementation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412141600006	Publication Date	2017-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-0012	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	38.618	Times cited	168	Open Access	OpenAccess
	Notes	We would like to thank W. Wang (University of Antwerp) for providing the data on the thermal equilibrium conversions. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) programme ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Methusalem financing of the University of Antwerp, the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N, G.0254.14N and G.0217.14N), the TOP research project of the Research Fund of the University of Antwerp (grant ID. 32249).			Approved	Most recent IF: 38.618
	Call Number	PLASMANT @ plasmant @c:irua:145921			Serial	4709
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	Author	Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kolev, S.; Snoeckx, R.; Sun, S.; Trenchev, G.; Van Laer, K.; Wang, W.
	Title	CO₂conversion by plasma technology: insights from modeling the plasma chemistry and plasma reactor design			Type	A1 Journal article
	Year	2017	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	26	Issue	26	Pages	063001
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In recent years there has been growing interest in the use of plasma technology for CO2 conversion. To improve this application, a good insight into the underlying mechanisms is of great importance. This can be obtained from modeling the detailed plasma chemistry in order to understand the chemical reaction pathways leading to CO2 conversion (either in pure form or mixed with another gas). Moreover, in practice, several plasma reactor types are being investigated for CO2 conversion, so in addition it is essential to be able to model these reactor geometries so that their design can be improved, and the most energy efficient CO2 conversion can be achieved. Modeling the detailed plasma chemistry of CO2 conversion in complex reactors is, however, very time-consuming. This problem can be overcome by using a combination of two different types of model: 0D chemical reaction kinetics models are very suitable for describing the detailed plasma chemistry, while the characteristic features of different reactor geometries can be studied by 2D or 3D fluid models. In the first instance the latter can be developed in argon or helium with a simple chemistry to limit the calculation time; however, the ultimate aim is to implement the more complex CO2 chemistry in these models. In the present paper, examples will be given of both the 0D plasma chemistry models and the 2D and 3D fluid models for the most common plasma reactors used for CO2 conversion in order to emphasize the complementarity of both approaches. Furthermore, based on the modeling insights, the paper discusses the possibilities and limitations of plasma-based CO2 conversion in different types of plasma reactors, as well as what is needed to make further progress in this field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412173700001	Publication Date	2017-05-15
	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	26	Open Access	OpenAccess
	Notes	We would like to thank T Silva, N Britoun, Th Godfroid and R Snyders (Université de Mons and Materia Nova Research Center), A Ozkan, Th Dufour and F Reniers (Université Libre de Bruxelles) andK Van Wesenbeeck and S Lenaerts (University of Antwerp) for providingexperimental data to validate our models. Furthermore, we acknowledge the financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Francqui Research Foundation, the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska- Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the Methusalem financing of the University of Antwerp, the Fund for Scientific Research, Flanders (FWO; grant nos. G.0383.16N and 11U5316N) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). 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 Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen.			Approved	Most recent IF: 3.302
	Call Number	PLASMANT @ plasmant @ c:irua:144429			Serial	4614
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	Author	Tang, T.; Stamm, C.; van Griensven, A.; Seuntjens, P.; Bronders, J.
	Title	Hysteresis and parent-metabolite analyses unravel characteristic pesticide transport mechanisms in a mixed land use catchment			Type	A1 Journal article
	Year	2017	Publication	Water research	Abbreviated Journal
	Volume	124	Issue		Pages	663-672
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	To properly estimate and manage pesticide occurrence in urban rivers, it is essential, but often highly challenging, to identify the key pesticide transport pathways in association to the main sources. This study examined the concentration-discharge hysteresis behaviour (hysteresis analysis) for three pesticides and the parent-metabolite concentration dynamics for two metabolites at sites with different levels of urban influence in a mixed land use catchment (25 km(2)) within the Swiss Greifensee area, aiming to identify the dominant pesticide transport pathways. Combining an adapted hysteresis classification framework with prior knowledge of the field conditions and pesticide usage, we demonstrated the possibility of using hysteresis analysis to qualitatively infer the dominant pesticide transport pathway in mixed land-use catchments. The analysis showed that hysteresis types, and therefore the dominant transport pathway, vary among pesticides, sites and rainfall events. Hysteresis loops mostly correspond to dominant transport by flow components with intermediate response time, although pesticide sources indicate that fast transport pathways are responsible in most cases (e.g. urban runoff and combined sewer overflows). The discrepancy suggests the fast transport pathways can be slowed down due to catchment storages, such as topographic depressions in agricultural areas, a wastewater treatment plant (WWTP) and other artificial storage units (e.g. retention basins) in urban areas. Moreover, the WWTP was identified as an important factor modifying the parent-metabolite concentration dynamics during rainfall events. To properly predict and manage pesticide occurrence in catchments of mixed land uses, the hydrological delaying effect and chemical processes within the artificial structures need to be accounted for, in addition to the catchment hydrology and the diversity of pesticide sources. This study demonstrates that in catchments with diverse pesticide sources and complex transport mechanisms, the adapted hysteresis analysis can help to improve our understanding on pesticide transport behaviours and provide a basis for effective management strategies.(C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412251500065	Publication Date	2017-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0043-1354; 1879-2448	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:146661			Serial	8048
Permanent link to this record



	Author	Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C.
	Title	The formation of Cr₂O₃ nanoclusters over graphene sheet and carbon nanotubes			Type	A1 Journal article
	Year	2017	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	687	Issue		Pages	188-193
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000412453700030	Publication Date	2017-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	2	Open Access	Not_Open_Access: Available from 01.11.2019
	Notes	; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ;			Approved	Most recent IF: 1.815
	Call Number	UA @ lucian @ c:irua:146646			Serial	4795
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	Author	Peng, L.; Liu, Y.; Sun, J.; Wang, D.; Dai, X.; Ni, B.-J.
	Title	Enhancing immobilization of arsenic in groundwater: A model-based evaluation			Type	A1 Journal article
	Year	2017	Publication	Journal of cleaner production	Abbreviated Journal
	Volume	166	Issue		Pages	449-457
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The mobilization of arsenic (As) in aquatic environment (groundwater) can cause severe environmental and healthy issues. To develop remediation strategies, we proposed a comprehensive mathematical model to describe the As removal in a arsenite (As (III)) oxidizing and ferrous iron (Fe (II)) oxidizing denitrifying granular biofilm system. In the model framework, the growth-linked microbial oxidation of As (III) and Fe (II) was coupled to chemolithotrophic denitrification of one-step reduction of nitrate to nitrogen gas. Meanwhile, the precipitation of ferric iron (Fe (III)) and adsorption of arsenate (As (V)) onto the biogenic Fe (III) (hydr)oxides were also considered. The model was calibrated by comparing the model predictions against experimental data from batch experiments. The validity of the model was further demonstrated through testing against long-term experimental results from five independent bioreactors with different reactor configurations and operational conditions. Modeling results revealed that the granule size would exert a limited impact on arsenic and iron removal. Nevertheless, their removal efficiencies increased rapidly with the increase of hydraulic retention time (HRT) from 1 h to 12 h, but became independent of HRT as it further increased. The established model framework enables interpretation of a range of experimental observations on As and Fe removal and helps to identify the optimal conditions for enhanced arsenic remediation. (C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412607100046	Publication Date	2017-08-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:146635			Serial	7919
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	Author	Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M.
	Title	Electronic properties of bilayer phosphorene quantum dots in the presence of perpendicular electric and magnetic fields			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	15	Pages	155425
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer polarized while the bulk states are not, and the layer-polarization degree (LPD) of the unbiased edge states increases with increasing magnetic field. However, in the presence of a bias potential both the edge and bulk states are layer polarized, and the LPD of the bulk (edge) states depends strongly (weakly) on the interplay of the bias potential and the interlayer coupling. At high magnetic fields, applying a bias potential renders the bulk electrons in a BLP QD to be mainly distributed over the top or bottom layer, resulting in layer-polarized bulk Landau levels (LLs). In the presence of a large bias potential that can drive a semiconductor-to-semimetal transition in BLP, these bulk LLs exhibit different magnetic-field dependences, i.e., the zeroth LLs exhibit a linearlike dependence on the magnetic field while the other LLs exhibit a square-root-like dependence.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000412699800005	Publication Date	2017-10-10
	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	28	Open Access
	Notes	; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant No. 11574319), and the Chinese Academy of Sciences. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:146686			Serial	4782
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	Author	González-Rubio, G.; de Oliveira, T.M.; Altantzis, T.; La Porta, A.; Guerrero-Martínez, A.; Bals, S.; Scarabelli, L.; Liz-Marzán, L.M.
	Title	Disentangling the effect of seed size and crystal habit on gold nanoparticle seeded growth			Type	A1 Journal article
	Year	2017	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	53	Issue	53	Pages	11360-11363
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Oxidative etching was used to produce gold seeds of different sizes and crystal habits. Following detailed characterization, the seeds were grown under different conditions. Our results bring new insights toward understanding the effect of size and crystallinity on the growth of anisotropic particles, whilst identifying guidelines for the optimisation of new synthetic protocols of predesigned seeds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412814900019	Publication Date	2017-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	29	Open Access	OpenAccess
	Notes	This work was funded by the Spanish MINECO (grant # MAT2013-46101-R, Ramon y Cajal fellowship to A. G.-M. and FPI fellowship to G. G.-R.). Financial support is acknowledged from the European Commission (EUSMI, 731019). S. B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). T. A. acknowledges a postdoctoral grant from Research Foundation Flanders (FWO, Belgium). ECAS_Sara (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 6.319
	Call Number	EMAT @ emat @c:irua:146101UA @ admin @ c:irua:146101			Serial	4734
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	Author	De Tommasi, E.; Gielis, J.; Rogato, A.
	Title	Diatom frustule morphogenesis and function : a multidisciplinary survey			Type	A1 Journal article
	Year	2017	Publication	Marine Genomics	Abbreviated Journal
	Volume	35	Issue		Pages	1-18
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Diatoms represent the major component of phytoplankton and are responsible for about 2025% of global primary production. Hundreds of millions of years of evolution led to tens of thousands of species differing in dimensions and morphologies. In particular, diatom porous silica cell walls, the frustules, are characterized by an extraordinary, species-specific diversity. It is of great interest, among the marine biologists and geneticists community, to shed light on the origin and evolutionary advantage of this variability of dimensions, geometries and pore distributions. In the present article the main reported data related to frustule morphogenesis and functionalities with contributions from fundamental biology, genetics, mathematics, geometry and physics are reviewed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000412957700001	Publication Date	2017-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1874-7787	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:144546			Serial	7807
Permanent link to this record



	Author	Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A.
	Title	Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling			Type	A1 Journal article
	Year	2017	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	14	Issue	10	Pages	1700013
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413045800010	Publication Date	2017-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1612-8850	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.846	Times cited	9	Open Access	Not_Open_Access
	Notes	Fonds Wetenschappelijk Onderzoek, 1200216N ;			Approved	Most recent IF: 2.846
	Call Number	PLASMANT @ plasmant @c:irua:149567			Serial	4910
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	Author	Benetti, G.; Caddeo, C.; Melis, C.; Ferrini, G.; Giannetti, C.; Winckelmans, N.; Bals, S.; J Van Bael, M.; Cavaliere, E.; Gavioli, L.; Banfi, F.
	Title	Bottom-Up Mechanical Nanometrology of Granular Ag Nanoparticles Thin Films			Type	A1 Journal article
	Year	2017	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	121	Issue	121	Pages	22434-22441
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Ultrathin metal nanoparticles coatings, synthesized by gas-phase deposition, are emerging as go-to materials in a variety of fields ranging from pathogens control, sensing to energy storage. Predicting their morphology and mechanical properties beyond a trial-and-error approach is a crucial issue limiting their exploitation in real-life applications. The morphology and mechanical properties of Ag nanoparticles ultrathin films, synthesized by supersonic cluster beam deposition, are here assessed adopting a bottom-up, multi-technique approach. A virtual film model is proposed merging high resolution scanning transmission electron microscopy, supersonic cluster beam dynamics and molecular dynamics simulations. The model is validated against mechanical nanometrology measurements and is readily extendable to metals other than Ag. The virtual film is shown to be a flexible and reliable predictive tool to access morphology-dependent properties such as mesoscale gas-dynamics and elasticity of ultrathin films synthesized by gas-phase deposition.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413131700072	Publication Date	2017-09-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	30	Open Access	OpenAccess
	Notes	; All authors thank Prof. Dr. Luciano Colombo for enlightening discussions. C.C. and F.B. acknowledge financial support from the MIUR Futuro in ricerca 2013 Grant in the frame of the ULTRANANO Project (Project No. RBFR13NEA4). F.B., G.F., and C.G. acknowledge support from Universita Cattolica del Sacro Cuore through D.2.2 and D.3.1 grants. F.B. acknowledges financial support from Fondazione E.U.L.O. The authors acknowledge financial support from the European Union through the seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). ;			Approved	Most recent IF: 4.536
	Call Number	EMAT @ emat @c:irua:145828UA @ admin @ c:irua:145828			Serial	4706
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	Author	de Aquino, B.R.H.; Neek-Amal, M.; Milošević, M.V.
	Title	Unconventional two-dimensional vibrations of a decorated carbon nanotube under electric field : linking actuation to advanced sensing ability			Type	A1 Journal article
	Year	2017	Publication	Scientific reports	Abbreviated Journal	Sci Rep-Uk
	Volume	7	Issue		Pages	13481
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We show that a carbon nanotube decorated with different types of charged metallic nanoparticles exhibits unusual two-dimensional vibrations when actuated by applied electric field. Such vibrations and diverse possible trajectories are not only fundamentally important but also have minimum two characteristic frequencies that can be directly linked back to the properties of the constituents in the considered nanoresonator. Namely, those frequencies and the maximal deflection during vibrations are very distinctively dependent on the geometry of the nanotube, the shape, element, mass and charge of the nanoparticle, and are vastly tunable by the applied electric field, revealing the unique sensing ability of devices made of molecular filaments and metallic nanoparticles.
	Address
	Corporate Author				Thesis
	Publisher	Nature Publishing Group	Place of Publication	London	Editor
	Language		Wos	000413188600005	Publication Date	2017-10-12
	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	1	Open Access
	Notes	; This work was supported by the Research Foundation – Flanders (FWO) and Shahid Rajaee Teacher Training University. ;			Approved	Most recent IF: 4.259
	Call Number	UA @ lucian @ c:irua:146672			Serial	4796
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	Author	Berthelot, A.; Bogaerts, A.
	Title	Modeling of CO₂plasma: effect of uncertainties in the plasma chemistry			Type	A1 Journal article
	Year	2017	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	26	Issue	11	Pages	115002
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413216500002	Publication Date	2017-10-18
	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	16	Open Access	OpenAccess
	Notes	We acknowledge financial support from the European Unions Seventh Framework Program for research, technological development and demonstration under grant agreement n◦ 606889. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA.			Approved	Most recent IF: 3.302
	Call Number	PLASMANT @ plasmant @c:irua:146879c:irua:146642			Serial	4758
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	Author	Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K.
	Title	A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc			Type	A1 Journal article
	Year	2017	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	19	Issue	40	Pages	27866-27877
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly also form Zn clusters, leading to the observed increased conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413290500073	Publication Date	2017-10-09
	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	26	Open Access	OpenAccess
	Notes	We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department).			Approved	Most recent IF: 4.123
	Call Number	EMAT @ emat @c:irua:146878			Serial	4760
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	Author	Tong, Y.; Bohn, B.J.; Bladt, E.; Wang, K.; Mueller-Buschbaum, P.; Bals, S.; Urban, A.S.; Polavarapu, L.; Feldmann, J.
	Title	From precursor powders to CsPbX3 perovskite nanowires : one-pot synthesis, growth mechanism, and oriented self-assembly			Type	A1 Journal article
	Year	2017	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	56	Issue	56	Pages	13887-13892
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('The colloidal synthesis and assembly of semiconductor nanowires continues to attract a great deal of interest. Herein, we describe the single-step ligand-mediated synthesis of single-crystalline CsPbBr3 perovskite nanowires (NWs) directly from the precursor powders. Studies of the reaction process and the morphological evolution revealed that the initially formed CsPbBr3 nanocubes are transformed into NWs through an oriented-attachment mechanism. The optical properties of the NWs can be tuned across the entire visible range by varying the halide (Cl, Br, and I) composition through subsequent halide ion exchange. Single-particle studies showed that these NWs exhibit strongly polarized emission with a polarization anisotropy of 0.36. More importantly, the NWs can self-assemble in a quasi-oriented fashion at an air/liquid interface. This process should also be easily applicable to perovskite nanocrystals of different morphologies for their integration into nanoscale optoelectronic devices.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000413314800065	Publication Date	2017-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851; 0570-0833	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	223	Open Access	OpenAccess
	Notes	; This work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go hybrid (SolTech)”, the China Scholarship Council (Y.T. and K.W.), the Alexander von Humboldt Stiftung (L.P.), and the Flemish Fund for Scientific Research (FWO Vlaanderen; E.B.). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant 335078-COLOURATOMS). ; ecas_sara			Approved	Most recent IF: 11.994
	Call Number	UA @ lucian @ c:irua:147434UA @ admin @ c:irua:147434			Serial	4876
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	Author	Dendooven, J.; Ramachandran, R.K.; Solano, E.; Kurttepeli, M.; Geerts, L.; Heremans, G.; Ronge, J.; Minjauw, M.M.; Dobbelaere, T.; Devloo-Casier, K.; Martens, J.A.; Vantomme, A.; Bals, S.; Portale, G.; Coati, A.; Detavernier, C.
	Title	Independent tuning of size and coverage of supported Pt nanoparticles using atomic layer deposition			Type	A1 Journal article
	Year	2017	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	8	Issue	8	Pages	1074
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Synthetic methods that allow for the controlled design of well-defined Pt nanoparticles are highly desirable for fundamental catalysis research. In this work, we propose a strategy that allows precise and independent control of the Pt particle size and coverage. Our approach exploits the versatility of the atomic layer deposition (ALD) technique by combining two ALD processes for Pt using different reactants. The particle areal density is controlled by tailoring the number of ALD cycles using trimethyl(methylcyclopentadienyl) platinum and oxygen, while subsequent growth using the same Pt precursor in combination with nitrogen plasma allows for tuning of the particle size at the atomic level. The excellent control over the particle morphology is clearly demonstrated by means of in situ and ex situ X-ray fluorescence and grazing incidence small angle X-ray scattering experiments, providing information about the Pt loading, average particle dimensions, and mean center-to-center particle distance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413353500023	Publication Date	2017-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	88	Open Access	OpenAccess
	Notes	; This research was funded by the Research Foundation-Flanders (FWO), the Special Research Fund BOF of Ghent University (GOA 01G01513) and the Flemish Government (Medium-scale research infrastructure funding-Hercules funding). J. D., T. D. and M. M. M. acknowledge the FWO for a research fellowship. S. B. acknowledges the European Research Council, ERC grant no. 335078-Colouratom. For the GISAXS and XRF measurements at SOLEIL, the authors received funding from the European Community's Trans National Access Program CALIPSO. We are also grateful to the SOLEIL and ESRF staff for smoothly running the facilities. The authors thank G. Verellen for his help with drawing the 3D sketches. ; ecas_Sara			Approved	Most recent IF: 12.124
	Call Number	UA @ lucian @ c:irua:146668UA @ admin @ c:irua:146668			Serial	4786
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	Author	Van de Put, M.L.; Sorée, B.; Magnus, W.
	Title	Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field			Type	A1 Journal article
	Year	2017	Publication	Journal of computational physics	Abbreviated Journal	J Comput Phys
	Volume	350	Issue		Pages	314-325
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000413379000016	Publication Date	2017-09-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.744	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 2.744
	Call Number	UA @ lucian @ c:irua:146630			Serial	4780
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	Author	Klinkhammer, C.; Verlackt, C.; Smilowicz, D.; Kogelheide, F.; Bogaerts, A.; Metzler-Nolte, N.; Stapelmann, K.; Havenith, M.; Lackmann, J.-W.
	Title	Elucidation of plasma-induced chemical modifications on glutathione and glutathione disulphide			Type	A1 Journal article
	Year	2017	Publication	Scientific reports	Abbreviated Journal	Sci Rep-Uk
	Volume	7	Issue		Pages	13828
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric pressure plasmas are gaining increased interest in the medical sector and clinical trials to treat skin diseases are underway. Plasmas are capable of producing several reactive oxygen and nitrogen species (RONS). However, there are open questions how plasma-generated RONS interact on a molecular level in a biological environment, e.g. cells or cell components. The redox pair glutathione (GSH) and glutathione disulphide (GSSG) forms the most important redox buffer in organisms responsible for detoxification of intracellular reactive species. We apply Raman spectroscopy, mass spectrometry, and molecular dynamics simulations to identify the time-dependent chemical modifications on GSH and GSSG that are caused by dielectric barrier discharge under ambient conditions. We find GSSG, S-oxidised glutathione species, and S-nitrosoglutathione as oxidation products with the latter two being the final products, while glutathione sulphenic acid, glutathione sulphinic acid, and GSSG are rather reaction intermediates. Experiments using stabilized pH conditions revealed the same main oxidation products as were found in unbuffered solution, indicating that the dominant oxidative or nitrosative reactions are not influenced by acidic pH. For more complex systems these results indicate that too long treatment times can cause difficult-to-handle modifications to the cellular redox buffer which can impair proper cellular function.
	Address
	Corporate Author				Thesis
	Publisher	Nature Publishing Group	Place of Publication	London	Editor
	Language		Wos	000413401300003	Publication Date	2017-10-17
	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	17	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.259
	Call Number	UA @ lucian @ c:irua:146666			Serial	4783
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	Author	Vatanparast, M.; Egoavil, R.; Reenaas, T.W.; Verbeeck, J.; Holmestad, R.; Vullum, P.E.
	Title	Bandgap measurement of high refractive index materials by off-axis EELS			Type	A1 Journal article
	Year	2017	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	182	Issue		Pages	92-98
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present work Cs aberration corrected and monochromated scanning transmission electron microscopy electron energy loss spectroscopy (STEM-EELS) has been used to explore experimental setups that allow bandgaps of high refractive index materials to be determined. Semi-convergence and collection angles in the mu rad range were combined with off-axis or dark field EELS to avoid relativistic losses and guided light modes in the low loss range to contribute to the acquired EEL spectra. Off-axis EELS further supressed the zero loss peak and the tail of the zero loss peak. The bandgap of several GaAs-based materials were successfully determined by simple regression analyses of the background subtracted EEL spectra. The presented set-up does not require that the acceleration voltage is set to below the. Cerenkov limit and can be applied over the entire acceleration voltage range of modern TEMs and for a wide range of specimen thicknesses. (C) 2017 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000413436500013	Publication Date	2017-06-21
	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	3	Open Access	Not_Open_Access
	Notes	; The authors would like to thank Professor Shu Min Wang and Mahdad Sadeghi at the Nanofabrication Laboratory at Chalmers University, Sweden for providing the samples. The Norwegian Research Council is acknowledged for funding the HighQ-IB project under contract no. 10415201. M.V. and T.W.R. acknowledge funding from the EEA Financial Mechanism 2009-2014 under the project contract no 23SEE/30.06.2014. 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) through the system of transnational access. R.E. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. ;			Approved	Most recent IF: 2.843
	Call Number	UA @ lucian @ c:irua:146639UA @ admin @ c:irua:146639			Serial	4778
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	Author	Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A.
	Title	Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry			Type	A1 Journal article
	Year	2017	Publication	Chemsuschem	Abbreviated Journal	Chemsuschem
	Volume	10	Issue	20	Pages	4025-4036
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413565100012	Publication Date	2017-10-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.226	Times cited	23	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid;			Approved	Most recent IF: 7.226
	Call Number	PLASMANT @ plasmant @c:irua:146665			Serial	4759
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	Author	Heijkers, S.; Bogaerts, A.
	Title	CO₂Conversion in a Gliding Arc Plasmatron: Elucidating the Chemistry through Kinetic Modeling			Type	A1 Journal article
	Year	2017	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	121	Issue	41	Pages	22644-22655
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	By means of chemical kinetics modeling, it is possible to elucidate the main dissociation mechanisms of CO2 in a gliding arc plasmatron (GAP). We obtain good agreement between the calculated and experimental conversions and energy efficiencies, indicating that the model can indeed be used to study the underlying mechanisms. The calculations predict that vibration-induced dissociation is the main dissociation mechanism of CO2, but it occurs mainly from the lowest vibrational levels because of fast thermalization of the vibrational distribution. Based on these findings, we propose ideas for improving the performance of the GAP, but testing of these ideas in the simulations reveals that they do not always lead to significant enhancement, because of other side effects, thus illustrating the complexity of the process. Nevertheless, the model allows more insight into the underlying mechanisms to be obtained and limitations to be identified.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413617900007	Publication Date	2017-10-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	6	Open Access	OpenAccess
	Notes	Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0383.16N ;			Approved	Most recent IF: 4.536
	Call Number	PLASMANT @ plasmant @c:irua:147436			Serial	4801
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	Author	Eliaerts, J.; Dardenne, P.; Meert, N.; Van Durme, F.; Samyn, N.; Janssens, K.; De Wael, K.
	Title	Rapid classification and quantification of cocaine in seized powders with ATR-FTIR and chemometrics			Type	A1 Journal article
	Year	2017	Publication	Drug testing and analysis	Abbreviated Journal	Drug Test Anal
	Volume	9	Issue	10	Pages	1480-1489
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Traditionally, fast screening for the presence of cocaine in unknown powders is performed by means of colour tests. The major drawbacks of these tests are subjective colour evaluation depending on the operator (50 shades of blue) and a lack of selectivity. An alternative fast screening technique is Fourier Transform InfraRed (FTIR) spectrometry. This technique provides spectra that are difficult to interpret without specialized expertise and showing a lack of sensitivity for the detection of cocaine in mixtures. To overcome these limitations, a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling was combined with a multivariate technique, called Support Vector Machines (SVM). Representative street drug powders (n = 482), seized during the period January 2013 to July 2015, and reference powders (n = 33) were used to build and validate a classification model (n = 515) and a quantification model (n = 378). Both models were compared with the conventional chromatographic techniques. The SVM classification model showed a high sensitivity, specificity and efficiency (99%). The SVM quantification model determined cocaine content with a root mean squared error of prediction (RMSEP) of 6% calculated over a wide working range from 4 to 99 w%. In conclusion, the developed models resulted in a clear output (cocaine detected or cocaine not detected) and a reliable estimation of the cocaine content in a wide variety of mixtures. The ATR-FTIR technique combined with SVM is a straightforward, user-friendly and fast approach for routine classification and quantification of cocaine in seized powders.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413685200001	Publication Date	2016-12-17
	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	9	Open Access
	Notes	; ;			Approved	Most recent IF: 3.469
	Call Number	UA @ admin @ c:irua:139483			Serial	5799
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	Author	Udayabhaskararao, T.; Altantzis, T.; Houben, L.; Coronado-Puchau, M.; Langer, J.; Popovitz-Biro, R.; Liz-Marzán, L.M.; Vuković, L.; Král, P.; Bals, S.; Klajn, R.
	Title	Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices			Type	A1 Journal article
	Year	2017	Publication	Science	Abbreviated Journal	Science
	Volume	358	Issue	358	Pages	514-518
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here,we show that non–close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413757500043	Publication Date	2017-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-8075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	37.205	Times cited	113	Open Access	OpenAccess
	Notes	This work was supported by the European Research Council (grants 336080 CONFINEDCHEM to R.K. and 335078 COLOURATOM to S.B.), the Rothschild Caesarea Foundation (R.K.), the NSF (Division of Materials Research, grant 1506886) (P.K.), the European Commission (grant EUSMI 731019 to L.M.L.-M. and S.B.), and the startup funding from the University of Texas at El Paso (L.V.). L.M.L.-M. acknowledges funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013- 46101-R). T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. The computer support was provided by the Texas Advanced Computing Center. All data are reported in the main text and supplementary materials. ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 37.205
	Call Number	EMAT @ emat @c:irua:147242UA @ admin @ c:irua:147242			Serial	4770
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	Author	Zhang, Q.-Z.; Tinck, S.; de Marneffe, J.-F.; Zhang, L.; Bogaerts, A.
	Title	Mechanisms for plasma cryogenic etching of porous materials			Type	A1 Journal article
	Year	2017	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	111	Issue	17	Pages	173104
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Porous materials are commonly used in microelectronics, as they can meet the demand for continuously shrinking electronic feature dimensions. However, they are facing severe challenges in plasma etching, due to plasma induced damage. In this paper, we present both the plasma characteristics and surface processing during the etching of porous materials. We explain how the damage occurs in the porous material during plasma etching for a wide range of chuck temperatures and the responsible mechanism for plasma damage-free etching at cryogenic temperature, by a combination of experiments and numerical modeling.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413863400032	Publication Date	2017-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	2	Open Access	OpenAccess
	Notes	We acknowledge the support from Marie Skłodowska- Curie actions (Grant Agreement-702604). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of 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. L. Zhang and J.-F. de Marneffe acknowledge Dr. M. Cooke and A. Goodyear from Oxford Instruments Plasma Technology for processing the samples at their Yatton facility in the United Kingdom.			Approved	Most recent IF: 3.411
	Call Number	PLASMANT @ plasmant @c:irua:147022			Serial	4762
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	Author	Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J.
	Title	Luminescence Property Upgrading via the Structure and Cation Changing in Ag_xEu_(2–x)/3WO₄and Ag_xGd_{(2–x)/3–0.3}Eu_0.3WO₄			Type	A1 Journal article
	Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	29	Issue	20	Pages	8811-8823
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413884900028	Publication Date	2017-10-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	7	Open Access	Not_Open_Access
	Notes	This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged.			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @c:irua:147241			Serial	4768
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	Author	Savina, A.A.; Morozov, V.A.; Buzlukov, A.L.; Arapova, I.Y.; Stefanovich, S.Y.; Baklanova, Y.V.; Denisova, T.A.; Medvedeva, N.I.; Bardet, M.; Hadermann, J.; Lazoryak, B.I.; Khaikina, E.G.
	Title	New solid electrolyte Na₉Al(MoO₄)₆ : structure and Na⁺ ion conductivity			Type	A1 Journal article
	Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	29	Issue	20	Pages	8901-8913
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));
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	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000413884900037	Publication Date	2017-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	13	Open Access	OpenAccess
	Notes	; The research was performed within the state assignment of FASO of Russia (Themes 01201463330, A16-116122810214-9, and 0339-2016-0007), supported in part by the Russian Foundation for Basic Research (Projects 16-03-00510, 16-03-00164, and 17-03-00333). ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:147432			Serial	4886
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	Author	Bjornavold, A.; Van Passel, S.
	Title	The lock-in effect and the greening of automotive cooling systems in the European Union			Type	A1 Journal article
	Year	2017	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
	Volume	203	Issue	3	Pages	1199-1207
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	As of 2017, the sale and use of the refrigerants most commonly used in automotive cooling systems – hydrofluorocarbons – are entirely banned in all new vehicles placed on the market in the European Union. These refrigerants have been recognised as potent greenhouse gases and, therefore, direct contributors to climate change. It is within this regulation-driven market that the technologies for a sustainable solution have been developed. However, this paper argues that the market for automotive cooling systems has been 'locked-in', which means that competing technologies, operating under dynamic increasing returns, will allow for one – potentially inferior technology – to dominate the market. Whilst such a situation is not uncommon, this paper discusses the way that regulation has reinforced a patented monopoly in 'picking winners': to the advantage of a synthetic chemical, R-1234yf, as opposed to the natural solution, which is CO2. By developing a generic conceptual framework of path dependence and lock-in, the presented evidence seeks to show how a snowballing effect has led to the intensification of differences in market share. We also argue that the automotive industry is potentially promoting short-term fixes, rather than long-term, sustainable and economically viable solutions. (C) 2017 Elsevier Ltd. All rights reserved.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413886300035	Publication Date	2017-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	4.01	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 4.01
	Call Number	UA @ admin @ c:irua:147374			Serial	6268
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