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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.
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  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 Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B.
  Title Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 Type A1 Journal article
  Year 2017 Publication AIP advances Abbreviated Journal Aip Adv
  Volume 7 Issue 12 Pages 125010
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step.
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  Language Wos 000418492500010 Publication Date 2017-12-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.568 Times cited 13 Open Access
  Notes This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. Approved Most recent IF: 1.568
  Call Number CMT @ cmt @c:irua:147860 Serial 4799
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Author Cavaliere, E.; Benetti, G.; Van Bael, M.; Winckelmans, N.; Bals, S.; Gavioli, L.
  Title Exploring the Optical and Morphological Properties of Ag and Ag/TiO2 Nanocomposites Grown by Supersonic Cluster Beam Deposition Type A1 Journal article
  Year 2017 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 7 Issue 7 Pages 442
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanocomposite systems and nanoparticle (NP) films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a crucial factor impacting their effectiveness and performance. In this framework, we investigate the optical and morphological properties of Ag nanoparticles (NPs) films and of Ag NPs/TiO₂ porous matrix films, one-step grown by supersonic cluster beam deposition. Morphology and structure of the Ag NPs film and of the Ag/TiO₂ (Ag/Ti 50-50) nanocomposite are related to the optical properties of the film employing spectroscopic ellipsometry (SE). We employ a simple Bruggeman effective medium approximation model, corrected by finite size effects of the nano-objects in the film structure to gather information on the structure and morphology of the nanocomposites, in particular porosity and average NPs size for the Ag/TiO₂ NP film. Our results suggest that SE is a simple, quick and effective method to measure porosity of nanoscale films and systems, where standard methods for measuring pore sizes might not be applicable.
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  Language Wos 000419186800037 Publication Date 2017-12-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.553 Times cited 19 Open Access OpenAccess
  Notes The authors thank Gabriele Ferrini for fruitful discussions on the spectroscopic ellipsometry model and Francesco Rossella from NEST for the optical profilometry data. The authors acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). Luca Gavioli, Emanuele Cavaliere and Giulio Benetti acknowledge support from Università Cattolica del Sacro Cuore through D.1.1 and D.3.1 grants. Approved Most recent IF: 3.553
  Call Number EMAT @ emat @c:irua:147862UA @ admin @ c:irua:147862 Serial 4802
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Author Asapu, R.; Ciocarlan, R.-G.; Claes, N.; Blommaerts, N.; Minjauw, M.; Ahmad, T.; Dendooven, J.; Cool, P.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W.
  Title Plasmonic Near-Field Localization of Silver Core–Shell Nanoparticle Assemblies via Wet Chemistry Nanogap Engineering Type A1 Journal article
  Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 9 Issue 9 Pages 41577-41585
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Silver nanoparticles are widely used in the field of plasmonics because of their unique optical properties. The wavelength-dependent surface plasmon resonance gives rise to a strongly enhanced electromagnetic field, especially at so-called hot spots located in the nanogap in-between metal nanoparticle assemblies. Therefore, the interparticle distance is a decisive factor in plasmonic applications, such as surface-enhanced Raman spectroscopy (SERS). In this study, the aim is to engineer this interparticle distance for silver nanospheres using a convenient wet-chemical approach and to predict and quantify the corresponding enhancement factor using both theoretical and experimental tools. This was done by building a tunable ultrathin polymer shell around the nanoparticles using the layer-by-layer method, in which the polymer shell acts as the separating interparticle spacer layer. Comparison of different theoretical approaches and corroborating the results with SERS analytical experiments using silver and silver−polymer core−shell nanoparticle clusters as SERS substrates was also done. Herewith, an approach is provided to estimate the extent of plasmonic near-field enhancement both theoretically as well as experimentally.
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  Language Wos 000417005900057 Publication Date 2017-11-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited 29 Open Access OpenAccess
  Notes financial support through a research fellowship. C.D. wishes to thank the Hercules foundation for the financial support (SPINAL). P.C. and R.-G.C. acknowledge financial support by FWO Vlaanderen (project no. G038215N). N.C. and S.B. acknowledge the financial support from the European Research Council (ERC starting grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 7.504
  Call Number EMAT @ emat @c:irua:147243 Serial 4804
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Author Winckelmans, N.; Altantzis, T.; Grzelczak, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S.
  Title Multimode Electron Tomography as a Tool to Characterize the Internal Structure and Morphology of Gold Nanoparticles Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 122 Issue 122 Pages 13522-13528
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Three dimensional (3D) characterization of structural defects in nanoparticles by transmission electron microscopy is far from straightforward. We propose the use of a dose-efficient approach, so-called multimode tomography, during which tilt series of low and high angle annular dark field scanning transmission electron microscopy projection images are acquired simultaneously. In this manner, not only reliable information can be obtained concerning the shape of the nanoparticles, but also the twin planes can be clearly visualized in 3D. As an example, we demonstrate the application of this approach to identify the position of the seeds with respect to the twinning planes in anisotropic gold nanoparticles synthesized using a seed mediated growth approach.
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  Language Wos 000437811500036 Publication Date 2018-01-16
  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 23 Open Access OpenAccess
  Notes S.B. and N.W. acknowledge funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.B. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N and G.0218.14N) and a postdoctoral research grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). L.M.L.-M. and S.B. acknowledge funding from the European Commission (grant EUSMI 731019). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:148164UA @ admin @ c:irua:148164 Serial 4807
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Author Alves, L.L.; Bogaerts, A.; Guerra, V.; Turner, M.M.
  Title Foundations of modelling of nonequilibrium low-temperature plasmas Type A1 Journal article
  Year 2018 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
  Volume 27 Issue 2 Pages 023002
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma–surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches.
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  Language Wos 000425688600001 Publication Date 2018-02-20
  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 17 Open Access OpenAccess
  Notes The authors would like to thank A Tejero-Del-Caz and A Berthelot for their technical contributions in writing the manuscript. This work was partially funded by Portuguese FCT —Fundação para a Ciência e a Tecnologia, under projects UID/ FIS/50010/2013, PTDC/FISPLA/1243/2014 (KIT-PLAS- MEBA) and PTDC/FIS-PLA/1420/2014 (PREMiERE). Approved Most recent IF: 3.302
  Call Number PLASMANT @ plasmant @c:irua:149391 Serial 4810
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Author Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A.
  Title Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 51 Issue 12 Pages 125401
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells.
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  Language Wos 000426378100001 Publication Date 2018-02-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 7 Open Access OpenAccess
  Notes MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). Approved Most recent IF: 2.588
  Call Number PLASMANT @ plasmant @c:irua:149382 Serial 4811
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Author Yang, Z.; Altantzis, T.; Bals, S.; Tendeloo, G.V.; Pileni, M.-P.
  Title Do Binary Supracrystals Enhance the Crystal Stability? Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 122 Issue 122 Pages 13515-13521
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract We study the oxygen thermal stability of two binary

systems. The larger particles are magnetic amorphous Co (7.2 nm) or

Fe3O4 (7.5 nm) nanocrystals, whereas the smaller ones (3.7 nm) are

Au nanocrystals. The nanocrystal ordering as well as the choice of the

magnetic nanoparticles very much influence the stability of the binary

system. A perfect crystalline structure is obtained with the Fe3O4/Au

binary supracrystals. For the Co/Au binary system, oxidation of Co

results in the chemical transformation from Co to CoO, where the size

of the amorphous Co nanoparticles increases from 7.2 to 9.8 nm in

diameter. During the volume expansion of the Co nanoparticles, Au

nanoparticles within the binary assemblies coalesce and are at the

origin of the instability of the binary nanoparticle supracrystals. On the

other hand, for the Fe3O4/Au binary system, the oxidation of Fe3O4 to

γ-Fe2O3 does not lead to a size change of the nanoparticles, which

maintains the stability of the binary nanoparticle supracrystals. A similar behavior is observed for an AlB2-type Co−Ag binary

system: The crystalline structure is maintained, whereas in disordered assemblies, coalescence of Ag nanocrystals is observed.
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  Language Wos 000437811500035 Publication Date 2018-01-30
  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 5 Open Access OpenAccess
  Notes The research leading to these results has been supported by an Advanced Grant of the European Research Council under Grant 267129. The authors appreciate financial support by the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference No. 262348 ESMI). S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:149388UA @ admin @ c:irua:149388 Serial 4812
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Author Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C.
  Title Effect of plasma-induced surface charging on catalytic processes: application to CO2activation Type A1 Journal article
  Year 2018 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
  Volume 27 Issue 2 Pages 024001
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis.
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  Language Wos 000424520100001 Publication Date 2018-02-07
  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 19 Open Access OpenAccess
  Notes KMB is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation—Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government— department EWI. Approved Most recent IF: 3.302
  Call Number PLASMANT @ plasmant @c:irua:149285 Serial 4813
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Author Kertik, A.; Wee, L.H.; Pfannmöller, M.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
  Title Highly selective gas separation membrane using in situ amorphised metal-organic frameworks Type A1 Journal article
  Year 2017 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci
  Volume 10 Issue 10 Pages 2342-2351
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Conventional carbon dioxide (CO2) separation in the petrochemical industry via cryogenic distillation is energy intensive and environmentally unfriendly. Alternatively, polymer membrane-based separations are of significant interest owing to low production cost, low-energy consumption and ease of upscaling. However, the implementation of commercial polymeric membranes is limited by their permeability and selectivity trade-off and the insufficient thermal and chemical stability. Herein, a novel type of amorphous mixed matrix membrane (MMM) able to separate CO2/CH4 mixtures with the highest selectivities ever reported for MOF based MMMs is presented. The MMM consists of an amorphised metal-organic framework (MOF) dispersed in an oxidatively cross-linked matrix achieved by fine tuning of the thermal treatment temperature in air up to 350 degrees C which drastically boosts the separation properties of the MMM. Thanks to the protection of the surrounding polymer, full oxidation of this MOF (i.e. ZIF-8) is prevented, and amorphisation of the MOF is realized instead, thus in situ creating a molecular sieve network. In addition, the treatment also improves the filler-polymer adhesion and induces an oxidative cross-linking of the polyimide matrix, resulting in MMMs with increased stability or plasticization resistance at high pressure up to 40 bar, marking a new milestone as new molecular sieve MOF MMMs for challenging natural gas purification applications. A new field for the use of amorphised MOFs and a variety of separation opportunities for such MMMs are thus opened.
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  Language Wos 000414774500007 Publication Date 2017-08-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 29.518 Times cited 122 Open Access OpenAccess
  Notes ; A.K. acknowledges financial support from the Erasmus-Mundus Doctorate in Membrane Engineering (EUDIME) Programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N). M. P. acknowledges financial support by the FP7 European project SUNFLOWER (FP7 #287594). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J. A. M. gratefully acknowledges financial supports from the Flemish Government for long-term Methusalem funding. J. A. M. and I. F. J. V. acknowledge the Belgian Government for IAP-PAI networking. A. K. would also like to thank Frank Mathijs for the mechanical tests, Roy Bernstein for the XPS analysis and Lien Telen and Bart Goderis for the DSC measurements. We thank Verder Scientific Benelux for providing the service of ZIF-8 ball milling. ; ecas_sara Approved Most recent IF: 29.518
  Call Number UA @ lucian @ c:irua:147399UA @ admin @ c:irua:147399 Serial 4879
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Author Loreto, S.; Vanrompay, H.; Mertens, M.; Bals, S.; Meynen, V.
  Title The influence of acids on tuning the pore size of mesoporous TiO2 templated by non-ionic block copolymers Type A1 Journal article
  Year 2018 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
  Volume 2018 Issue 2018 Pages 62-65
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract <script type='text/javascript'>document.write(unpmarked('We show the possibility to tune the pore size of mesoporous TiO2 templated by non-ionic block copolymers by adding different inorganic acids at well-chosen concentration. The effect of the inorganic anions on both the TiO2 cluster formation and the non-ionic block copolymers micelles is investigated to explain the experimental results.'));
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  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000419706000008 Publication Date 2017-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.444 Times cited 6 Open Access OpenAccess
  Notes ; This work was supported by the Research Foundation-Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). Hans Vanrompay gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO grant 1S32617N). Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.444
  Call Number UA @ lucian @ c:irua:147897UA @ admin @ c:irua:147897 Serial 4881
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Author Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M.
  Title Synthesis of Li-Rich NMC : a comprehensive study Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 23 Pages 9923-9936
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));
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  Corporate Author Thesis
  Publisher American Chemical Society Place of Publication Washington, D.C Editor
  Language Wos 000418206600010 Publication Date 2017-11-08
  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 23 Open Access Not_Open_Access
  Notes ; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; Approved Most recent IF: 9.466
  Call Number UA @ lucian @ c:irua:148530 Serial 4899
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Author Ulu Okudur, F.; D'Haen, J.; Vranken, T.; De Sloovere, D.; Verheijen, M.; Karakulina, O.M.; Abakumov, A.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A.
  Title Ti surface doping of LiNi0.5Mn1.5O4−δpositive electrodes for lithium ion batteries Type A1 Journal article
  Year 2018 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 8 Issue 13 Pages 7287-7300
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The particle surface of LiNi0.5Mn1.5O4−δ (LNMO), a Li-ion battery cathode material, has been modified by Ti cation doping through a hydrolysis–condensation reaction followed by annealing in oxygen. The effect of different annealing temperatures (500–850 °C) on the Ti distribution and electrochemical performance of the surface modified LNMO was investigated. Ti cations diffuse from the preformed amorphous ‘TiOx’ layer into the LNMO surface during annealing at 500 °C. This results in a 2–4 nm thick Ti-rich spinel surface having lower Mn and Ni content compared to the core of the LNMO particles, which was observed with scanning transmission electron microscopy coupled with compositional EDX mapping. An increase in the annealing temperature promotes the formation of a Ti bulk doped LiNi(0.5−w)Mn(1.5+w)−tTitO4 phase and Ti-rich LiNi0.5Mn1.5−yTiyO4 segregates above 750 °C. Fourier-transform infrared spectrometry indicates increasing Ni–Mn ordering with annealing temperature, for both bare and surface modified LNMO. Ti surface modified LNMO annealed at 500 °C shows a superior cyclic stability, coulombic efficiency and rate performance compared to bare LNMO annealed at 500 °C when cycled at 3.4–4.9 V vs. Li/Li+. The improvements are probably due to suppressed Ni and Mn dissolution with Ti surface doping.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000425508900064 Publication Date 2018-02-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 9 Open Access OpenAccess
  Notes This research is supported by the Research Foundation Flanders (FWO Vlaanderen, grant number G040116N). This project receives the support of the European Union, the European Regional Development Fund ERDF, Flanders Innovation & Entrepreneurship and the Province of Limburg (project 936). Greet Cuyvers and Gilles Bonneux (UHasselt) are acknowledged for the ICP-AES sample preparation and measurements. Vera Meynen and Karen Leyssens (Antwerp University, Belgium) are acknowledged for the BET measurements. Special thanks to Bart Ruttens (UHasselt) for XRD measurements and discussions on the refinements. Approved Most recent IF: 3.108
  Call Number EMAT @ emat @c:irua:149513 Serial 4905
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Author Sathiya, M.; Jacquet, Q; Doublet, M.L; Karakulina, O.M.; Hadermann, J.; Tarascon, J.-M.
  Title A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv. Energy Mater.
  Volume Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Sodium ion batteries (NIBs) are one of the versatile technologies for lowcost rechargeable batteries. O3-type layered sodium transition metal oxides (NaMO2, M = transition metal ions) are one of the most promising positive electrode materials considering their capacity. However, the use of O3 phases is limited due to their low redox voltage and associated multiple phase transitions which are detrimental for long cycling. Herein, a simple strategy is proposed to successfully combat these issues. It consists of the introduction of a larger, nontransition metal ion Sn4+ in NaMO2 to prepare a series of NaNi0.5Mn0.5−y SnyO2 (y = 0–0.5) compositions with attractive electrochemical performances, namely for y = 0.5, which shows a single-phase transition from O3 ⇔ P3 at the very end of the oxidation process. Na-ion NaNi0.5Sn0.5O2/C coin cells are shown to deliver an average cell voltage of 3.1 V with an excellent capacity retention as compared to an average stepwise voltage of ≈2.8 V and limited capacity retention for the pure NaNi0.5Mn0.5O2 phase. This study potentially shows the way to manipulate the O3 NaMO2 for facilitating their practical use in NIBs.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430163100013 Publication Date 2018-01-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 21.875 Times cited 28 Open Access OpenAccess
  Notes M.S. and Q.J. contributed equally to this work. The authors thank Dr. Daniel Alves Dalla Corte and Sujoy Saha for electronic conductivity measurements and Prof. Dominique Larcher for fruitful discussions. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. TGA analysis by Matthieu Courty, LRCS, Amiens, is greatly acknowledged. J.H. and O.M.K. acknowledge funding from FWO Vlaanderen project G040116N. Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:149515 Serial 4907
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Author Kumar, N.; Shaw, P.; Razzokov, J.; Yusupov, M.; Attri, P.; Uhm, H.S.; Choi, E.H.; Bogaerts, A.
  Title Enhancement of cellular glucose uptake by reactive species: a promising approach for diabetes therapy Type A1 Journal article
  Year 2018 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 8 Issue 18 Pages 9887-9894
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract It is generally known that antidiabetic activity is associated with an increased level of glucose uptake in adipocytes and skeletal muscle cells. However, the role of exogenous reactive oxygen and nitrogen species (RONS) in muscle development and more importantly in glucose uptake is largely unknown. We investigate the effect of RONS generated by cold atmospheric plasma (CAP) in glucose uptake. We show that the glucose uptake is significantly enhanced in differentiated L6 skeletal muscle cells after CAP treatment. We also observe a significant increase of the intracellular Ca++ and ROS level, without causing toxicity. One of the possible reasons for an elevated level of glucose uptake as well as intracellular ROS and Ca++ ions is probably the increased oxidative stress leading to glucose transport.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430451800036 Publication Date 2018-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 1 Open Access OpenAccess
  Notes We gratefully acknowledge nancial support from the Research Foundation – Flanders (FWO), grant numbers 12J5617N, 1200216N and from the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). We are also thankful to the Plasma Bioscience Research Center at Kwangwoon University for providing the core facilities for the experimental work as well as nancial support by the Leading Foreign Research Institute Recruitment program (Grant # NRF-2016K1A4A3914113) through the Basic Science Research Program of the National Research Founda Approved Most recent IF: 3.108
  Call Number PLASMANT @ plasmant @c:irua:149564 Serial 4909
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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 (up)
  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 Sánchez-Iglesias, A.; Claes, N.; Solís, D.M.; Taboada, J.M.; Bals, S.; Liz-Marzán, L.M.; Grzelczak, M.
  Title Reversible Clustering of Gold Nanoparticles under Confinement Type A1 Journal article
  Year 2018 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 57 Issue 57 Pages 3183-3186
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A limiting factor of solvent-induced nanoparticle self-assembly is the need for constant sample dilution in assembly/disassembly cycles. Changes in the nanoparticle concentration alter the kinetics of the subsequent assembly process, limiting optical signal recovery. Herein, we show that upon confining hydrophobic nanoparticles in permeable silica nanocapsules, the number of nanoparticles participating in cyclic aggregation remains constant despite bulk changes in solution, leading to highly reproducible plasmon band shifts at different solvent compositions.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000426759900031 Publication Date 2018-02-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 53 Open Access OpenAccess
  Notes L.M.L.-M. and M.G. acknowledge funding from the Spanish MINECO (Grant #MAT2013-46101R). N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). D.M.S., and J.M.T, acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish MINECO (Projects TEC2017-85376-C2-1-R, TEC2017-85376-C2-2-R), and from the ERDF and the Galician Regional Government under agreement for funding the Atlantic Research Center for Information and Communication Technologies (AtlantTIC). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 11.994
  Call Number EMAT @ emat @c:irua:149558UA @ admin @ c:irua:149558 Serial 4911
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Author Bal, K.M.; Neyts, E.C.
  Title Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches Type A1 Journal article
  Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 20 Issue 13 Pages 8456-8459
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000428779700007 Publication Date 2018-03-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 8 Open Access OpenAccess
  Notes K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. Approved Most recent IF: 4.123
  Call Number PLASMANT @ plasmant @c:irua:150357 Serial 4916
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Author Schryvers, D.; Salje, E.K.H.; Nishida, M.; De Backer, A.; Idrissi, H.; Van Aert, S.
  Title Quantification by aberration corrected (S)TEM of boundaries formed by symmetry breaking phase transformations Type A1 Journal article
  Year 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 176 Issue Pages 194-199
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The present contribution gives a review of recent quantification work of atom displacements, atom site occupations and level of crystallinity in various systems and based on aberration corrected HR(S)TEM images. Depending on the case studied, picometer range precisions for individual distances can be obtained, boundary widths at the unit cell level determined or statistical evolutions of fractions of the ordered areas calculated. In all of these cases, these quantitative measures imply new routes for the applications of the respective materials.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000403992200026 Publication Date 2017-01-09
  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 1 Open Access OpenAccess
  Notes The authors acknowledge financial support from the Fund for Scientific Research-Flanders (G.0064.10N, G.0393.11N, G.0374.13N, G.0368.15N, G.0369.15N) and the Flemish Hercules 3 program for large infrastructure as well as financial support from the European Union Seventh Framework Programme (FP7/2007 – 2013) under Grant agreement no. 312483 (ESTEEM2). EKHS thanks EPSRC (EP/ K009702/1) and the Leverhulme trust (EM-2016-004) for support. DS and MN acknowledge financial support from the Japan Society for the Promotion of Science (JSPS, Japan) through the Grant-in-Aid for Scientific Research (A: No. 26249090) and the Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation (R2408). Approved Most recent IF: 2.843
  Call Number EMAT @ emat @c:irua:149654 Serial 4914
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Author Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V.
  Title Tunable Snell's law for spin waves in heterochiral magnetic films Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 10 Pages 104422
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000428238600006 Publication Date 2018-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 20 Open Access
  Notes This work was supported by the Research Foundation- Flanders (FWO-Vlaanderen) through Project No. G098917N. Approved Most recent IF: 3.836
  Call Number CMT @ cmt @c:irua:150118UA @ admin @ c:irua:150118 Serial 4915
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Author Kumar, J.; Eraña, H.; López-Martínez, E.; Claes, N.; Martín, V.F.; Solís, D.M.; Bals, S.; Cortajarena, A.L.; Castilla, J.; Liz-Marzán, L.M.
  Title Detection of amyloid fibrils in Parkinson’s disease using plasmonic chirality Type A1 Journal article
  Year 2018 Publication Proceedings of the National Academy of Sciences of the United States of America Abbreviated Journal P Natl Acad Sci Usa
  Volume 115 Issue 115 Pages 3225-3230
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Amyloid fibrils, which are closely associated with various neurodegenerative

diseases, are the final products in many protein aggregation pathways. The identification of fibrils at low concentration is, therefore, pivotal in disease diagnosis and development of therapeutic strategies. We report a methodology for the specific identification of amyloid fibrils using chiroptical effects in plasmonic nanoparticles. The formation of amyloid fibrils based on α-synuclein was probed using gold nanorods, which showed no

apparent interaction with monomeric proteins but effective adsorption onto fibril structures via noncovalent interactions. The amyloid structure drives a helical nanorod arrangement, resulting in intense optical activity at the surface plasmon resonance wavelengths. This sensing technique was successfully applied to human brain homogenates of patients affected by Parkinson’s disease,

wherein protein fibrils related to the disease were identified through chiral signals from Au nanorods in the visible and near IR, whereas healthy brain samples did not exhibit any meaningful optical activity. The technique was additionally extended to the specific detection of infectious amyloids formed by prion proteins, thereby confirming the wide potential of the technique. The intense chiral response driven by strong dipolar coupling in helical Au nanorod arrangements allowed us to detect amyloid fibrils down to nanomolar concentrations.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000428382400032 Publication Date 2018-03-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0027-8424 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.661 Times cited 187 Open Access OpenAccess
  Notes We thank Prof. Dr. J.-P. Timmermans and the Antwerp Centre of Advanced Microscopy for providing access to the Tecnai G2 Spirit BioTWIN TEM. We also thank the Basque Biobank (Basque Foundation for Health Innovation and Research, BIOEF) for providing us with Parkinson’s disease-affected brain samples. J.K. acknowledges financial support from the European Commission under Marie Sklodowska-Curie Program H2020- MSCA-IF-2015708321. S.B. and A.L.C. acknowledge European Research Council Grants 335078 COLOURATOM and 648071 ProNANO. S.B. and L.M.L.-M. acknowledge funding from European Commission Grant EUSMI 731019. A.L.C., J.C., and L.M.L.-M. acknowledge funding from Spanish Ministry of Economy and Competitiveness (MINECO) Grants MAT2013-46101- R, AGL2015-65046-C2-1-R, and BIO2016-77367-C2-1-R. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:restricted); saraecas; ECASSara; Approved Most recent IF: 9.661
  Call Number EMAT @ emat @c:irua:150355UA @ admin @ c:irua:150355 Serial 4918
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Author Verbeeck, J.; Béché, A.; Müller-Caspary, K.; Guzzinati, G.; Luong, M.A.; Den Hertog, M.
  Title Demonstration of a 2 × 2 programmable phase plate for electrons Type A1 Journal article
  Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 190 Issue Pages 58-65
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract First results on the experimental realisation of a 2 × 2 programmable phase plate for electrons are presented. The design consists of an array of electrostatic elements that influence the phase of electron waves passing through 4 separately controllable aperture holes. This functionality is demonstrated in a conventional transmission electron microscope operating at 300 kV and results are in very close agreement with theoretical predictions. The dynamic creation of a set of electron probes with different phase symmetry is demonstrated, thereby bringing adaptive optics in TEM one step closer to reality. The limitations of the current design and how to overcome these in the future are discussed. Simulations show how further evolved versions of the current proof of concept might open new and exciting application prospects for beam shaping and aberration correction.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000432868800007 Publication Date 2018-04-18
  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 73 Open Access Not_Open_Access: Available from 19.04.2020
  Notes J.V. and A.B. acknowledge funding from the Fund for Scientific Research Flanders FWO project G093417N and the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX and ERC proof of concept project DLV-789598 ADAPTEM. The Qu-Ant-EM microscope used in this work was partly funded by the Hercules fund from the Flemish Government. MdH acknowledges financial support from the ANRCOSMOS (ANR-12-JS10-0002). MdH and ML acknowledge funding from the Laboratoire d’excellence LANEF in Grenoble (ANR-10-LABX-51-01). Approved Most recent IF: 2.843
  Call Number EMAT @ emat @c:irua:150459UA @ admin @ c:irua:150459 Serial 4920
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Author Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S.
  Title The conversion mechanism of amorphous silicon to stoichiometric WS2 Type A1 Journal article
  Year 2018 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 6 Issue 15 Pages 4122-4130
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The deposition of ultra-thin tungsten films and their related 2D chalcogen compounds on large area dielectric substrates by gas phase reactions is challenging. The lack of nucleation sites complicates the adsorption of W-related precursors and subsequent sulfurization usually requires high temperatures. We propose here a technique in which a thin solid amorphous silicon film is used as reductant for the gas phase precursor WF6 leading to the conversion to metallic W. The selectivity of the W conversion towards the underlying dielectric surfaces is demonstrated. The role of the Si surface preparation, the conversion temperature, and Si thickness on the formation process is investigated. Further, the in situ conversion of the metallic tungsten into thin stoichiometric WS2 is achieved by a cyclic approach based on WF6 and H2S pulses at the moderate temperature of 450 1C, which is much lower than usual oxide sulfurization processes.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430538000036 Publication Date 2018-03-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 4 Open Access OpenAccess
  Notes This work was supported throughout a strategic fundamental research grant for M. H. by the agency Flanders innovation & entrepreneurship (VLAIO). Approved Most recent IF: 5.256
  Call Number PLASMANT @ plasmant @c:irua:150968 Serial 4921
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Author Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A.
  Title Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 122 Issue 16 Pages 8704-8723
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane

(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable

for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000431151200002 Publication Date 2018-04-26
  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 28 Open Access OpenAccess
  Notes Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; Approved Most recent IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:150969 Serial 4922
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Author Song, H.-D.; Wu, Y.-F.; Yang, X.; Ren, Z.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Liu, D.; Wu, H.-C.; Yan, B.; Wu, X.; Duan, C.-G.; Han, G.; Liao, Z.-M.; Yu, D.
  Title Asymmetric Modulation on Exchange Field in a Graphene/BiFeO3Heterostructure by External Magnetic Field Type A1 Journal article
  Year 2018 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 18 Issue 4 Pages 2435-2441
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Graphene, having all atoms on its surface, is favorable to extend the functions by introducing the spin–orbit coupling and magnetism through proximity effect. Here, we report the tunable interfacial exchange field produced by proximity coupling in graphene/BiFeO3 heterostructures. The exchange field has a notable dependence with external magnetic field, and it is much larger under negative magnetic field than that under positive magnetic field. For negative external magnetic field, interfacial exchange coupling gives rise to evident spin splitting for N ≠ 0 Landau levels and a quantum Hall metal state for N = 0 Landau level. Our findings suggest graphene/BiFeO3 heterostructures are promising for spintronics.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430155900034 Publication Date 2018-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 9 Open Access Not_Open_Access
  Notes This work was supported by National Key Research and Development Program of China (No. 2016YFA0300802) and NSFC (Nos. 11774004 and 11604004). Ministry of Science and Technology of the People's Republic of China, 2016YFA0300802 ; National Natural Science Foundation of China, 11604004 11774004 ; Approved Most recent IF: 12.712
  Call Number EMAT @ lucian @c:irua:150794 Serial 4923
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Author Zhao, H.; Hu, Z.; Liu, J.; Li, Y.; Wu, M.; Van Tendeloo, G.; Su, B.-L.
  Title Blue-edge slow photons promoting visible-light hydrogen production on gradient ternary 3DOM TiO 2 -Au-CdS photonic crystals Type A1 Journal article
  Year 2018 Publication Nano energy Abbreviated Journal Nano Energy
  Volume 47 Issue Pages 266-274
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The slow photon effect, a structural effect of photonic crystal photocatalyst, is very efficient in the enhancement of photocatalytic reactions. However, slow photons in powdered photonic crystal photocatalyst have rarely been discussed because they are usually randomly oriented when the photocatalytic reaction happens in solution under constant stirring. In this work, for the first time we design a gradient ternary TiO2-Au-CdS photonic crystal based on three-dimensionally ordered macroporous (3DOM) TiO2 as skeleton, Au as electron transfer medium and CdS as active material for photocatalytic H2 production under visible-light. As a result, this gradient ternary photocatalyst is favorable to simultaneously enhance light absorption, extend the light responsive region and reduce the recombination rate of the charge carriers. In particular, we found that slow photons at blue-edge exhibit much higher photocatalytic activity than that at red-edge. The photonic crystal photocatalyst with a macropore size of 250 nm exhibits the highest visible-light H2 production rate of 3.50 mmolh⁻¹g⁻¹ due to the slow photon energy at the blue-edge to significantly enhance the incident photons utilization. This work verifies that slow photons at the blue-edge can largely enhance light harvesting and sheds a light on designing the powdered photonic crystal photocatalyst to promote the photocatalytic H2 production via slow photon effect.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430057000027 Publication Date 2018-02-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.343 Times cited 33 Open Access OpenAccess
  Notes B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents”. Y. Li acknowledges Hubei Provincial Department of Education for the “Chutian Scholar” program. This work is financially supported the National KeyR&D Program of China (2016YFA0202602), National Natural Science Foundation of China (U1663225, 51502225), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), Hubei Provincial Natural Science Foundation (2015CFB516), International Science &Technology Cooperation Program of China (2015DFE52870) and the Fundamental Research Funds for the Central Universities (WUT: 2016III029). Approved Most recent IF: 12.343
  Call Number EMAT @ lucian @c:irua:150721 Serial 4924
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Author Lu, Y.; Cheng, X.; Tian, G.; Zhao, H.; He, L.; Hu, J.; Wu, S.-M.; Dong, Y.; Chang, G.-G.; Lenaerts, S.; Siffert, S.; Van Tendeloo, G.; Li, Z.-F.; Xu, L.-L.; Yang, X.-Y.; Su, B.-L.
  Title Hierarchical CdS/m-TiO 2 /G ternary photocatalyst for highly active visible light-induced hydrogen production from water splitting with high stability Type A1 Journal article
  Year 2018 Publication Nano energy Abbreviated Journal Nano Energy
  Volume 47 Issue Pages 8-17
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Hierarchical semiconductors are the most important photocatalysts, especially for visible light-induced hydrogen production from water splitting. We demonstrate herein a hierarchical electrostatic assembly approach to hierarchical CdS/m-TiO2/G ternary photocatalyst, which exhibits high photoactivity and excellent photostability (more than twice the activity of pure CdS while 82% of initial photoactivity remained after 15 recycles during 80 h irradiation). The ternary nanojunction effect of the photocatalyst has been investigated from orbitals hybrid, bonding energy to atom-stress distortion and nano-interface fusion. And a coherent separation mechanism of charge carriers in the ternary system has been proposed at an atomic/nanoscale. This work offers a promising way to inhibit the photocorrosion of CdS and, more importantly, provide new insights for the design of ternary nanostructured photocatalysts with an ideal heterojunction.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430057000002 Publication Date 2018-02-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.343 Times cited 58 Open Access Not_Open_Access
  Notes This work supported by National Key R&D Program of China (2017YFC1103800), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), National Natural Science Foundation of China (U1663225, U1662134, 51472190, 51611530672, 21711530705, 51503166, 51602236, 21706199), International Science & Technology Cooperation Program of China (2015DFE52870), Natural Science Foundation of Hubei Province (2016CFA033, 2017CFB487), Open 22 Project Program of State Key Laboratory of Petroleum Pollution Control (PPC2016007) CNPC Research Institute of Safety and Environmental Technology., China Postdoctoral Science Foundation (2016M592400), Fundamental Research Funds for the Central Universities (WUT: 2017IVB012). Approved Most recent IF: 12.343
  Call Number EMAT @ lucian @c:irua:150720 Serial 4925
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Author Ben Dkhil, S.; Pfannmöller, M.; Schroeder, R.R.; Alkarsifi, R.; Gaceur, M.; Koentges, W.; Heidari, H.; Bals, S.; Margeat, O.; Ackermann, J.; Videlot-Ackermann, C.
  Title Interplay of interfacial layers and blend composition to reduce thermal degradation of polymer solar cells at high temperature Type A1 Journal article
  Year 2018 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 10 Issue 10 Pages 3874-3884
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The thermal stability of printed polymer solar cells at elevated temperatures needs to be improved to achieve high-throughput fabrication including annealing steps as well as long-term stability. During device processing, thermal annealing impacts both the organic photoactive layer, and the two interfacial layers make detailed studies of degradation mechanism delicate. A recently identified thermally stable poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b'-dithiopherie-2,6-diyl] [3-fluoro-2-[(2-ethylhexyl) carbonyl] thieno [3,4-b]thiophenediyl]] : [6,6]-phenyl- C-71-butyric acid methyl ester (PTB7:PC70BM) blend as photoactive layer in combination with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as hole extraction layer is used here to focus on the impact of electron extraction layer (EEL) on the thermal stability of solar cells. Solar cells processed with densely packed ZnO nanoparticle layers still show 92% of the initial efficiency after constant annealing during 1 day at 140 degrees C, whereas partially covering ZnO layers as well as an evaporated calcium layer leads to performance losses of up to 30%. This demonstrates that the nature and morphology of EELs highly influence the thermal stability of the device. We extend our study to thermally unstable PTB7:[6,6]-phenyl-C-61-butyric acid methyl ester (PC60BM) blends to highlight the impact of ZnO on the device degradation during annealing. Importantly, only 12% loss in photocurrent density is observed after annealing at 140 degrees C during 1 day when using closely packed ZnO. This is in stark contrast to literature and addressed here to the use of a stable double-sided confinement during thermal annealing. The underlying mechanism of the inhibition of photocurrent losses is revealed by electron microscopy imaging and spatially resolved spectroscopy. We found that the double-sided confinement suppresses extensive fullerene diffusion during the annealing step, but with still an increase in size and distance of the enriched donor and acceptor domains inside the photoactive layer by an average factor of 5. The later result in combination with comparably small photocurrent density losses indicates the existence of an efficient transport of minority charge carriers inside the donor and acceptor enriched phases in PTB7:PC60BM blends.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000424728800082 Publication Date 2018-01-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited 9 Open Access OpenAccess
  Notes ; We acknowledge the financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract number: 287594). M.P. and R.R.S. acknowledge support by the HeiKA (Heidelberg Karlsruhe Research Partnership) FunTech-3D materials science program. ; Approved Most recent IF: 7.504
  Call Number UA @ lucian @ c:irua:149309UA @ admin @ c:irua:149309 Serial 4939
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Author Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R.
  Title Electrostatics of electron-hole interactions in van der Waals heterostructures Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 12 Pages 125427
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000427983700007 Publication Date 2018-03-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 22 Open Access
  Notes Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. Approved Most recent IF: 3.836
  Call Number CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 Serial 4953
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Author Yuan, H.; Debroye, E.; Bladt, E.; Lu, G.; Keshavarz, M.; Janssen, K.P.F.; Roeffaers, M.B.J.; Bals, S.; Sargent, E.H.; Hofkens, J.
  Title Imaging heterogeneously distributed photo-active traps in perovskite single crystals Type A1 Journal article
  Year 2018 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 30 Issue 30 Pages 1705494
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Organic-inorganic halide perovskites (OIHPs) have demonstrated outstanding energy conversion efficiency in solar cells and light-emitting devices. In spite of intensive developments in both materials and devices, electronic traps and defects that significantly affect their device properties remain under-investigated. Particularly, it remains challenging to identify and to resolve traps individually at the nanoscopic scale. Here, photo-active traps (PATs) are mapped over OIHP nanocrystal morphology of different crystallinity by means of correlative optical differential super-resolution localization microscopy (Delta-SRLM) and electron microscopy. Stochastic and monolithic photoluminescence intermittency due to individual PATs is observed on monocrystalline and polycrystalline OIHP nanocrystals. Delta-SRLM reveals a heterogeneous PAT distribution across nanocrystals and determines the PAT density to be 1.3 x 10(14) and 8 x 10(13) cm(-3) for polycrystalline and for monocrystalline nanocrystals, respectively. The higher PAT density in polycrystalline nanocrystals is likely related to an increased defect density. Moreover, monocrystalline nanocrystals that are prepared in an oxygen and moisture-free environment show a similar PAT density as that prepared at ambient conditions, excluding oxygen or moisture as chief causes of PATs. Hence, it is conduded that the PATs come from inherent structural defects in the material, which suggests that the PAT density can be reduced by improving crystalline quality of the material.
  Address (up)
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000428793600009 Publication Date 2018-02-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited 29 Open Access OpenAccess
  Notes ; The authors acknowledge financial support from the Research Foundation-Flanders (FWO, grant G.0197.11, G.0962.13, G0B39.15, ZW1509 GOH6316N, postdoctoral fellowships to H.Y., E.D., and K.P.F.J., doctoral fellowship to E.B.), KU Leuven Research Fund (C14/15/053), the Flemish government through long term structural funding Methusalem (CASAS2, Meth/15/04), the Hercules foundation (HER/11/14), the Belgian Federal Science Policy Office (IAP-PH05), the EC through the Marie Curie ITN project iSwitch (GA-642196), and the ERC project LIGHT (GA-307523). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). G.L. acknowledges Key University Science Research Project of Jiangsu Province (No. 17KJA150005). E.H.S. acknowledges support from the Ontario Research Fund – Research Excellence Program. ; ecassara Approved Most recent IF: 19.791
  Call Number UA @ lucian @ c:irua:150826UA @ admin @ c:irua:150826 Serial 4970
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