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Author Tong, Y.; Fu, M.; Bladt, E.; Huang, H.; Richter, A.F.; Wang, K.; Mueller-Buschbaum, P.; Bals, S.; Tamarat, P.; Lounis, B.; Feldmann, J.; Polavarapu, L.
Title (down) Chemical cutting of perovskite nanowires into single-photon emissive low-aspect-ratio CsPbX3(X = Cl, Br, I) nanorods Type A1 Journal article
Year 2018 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 57 Issue 57 Pages 16094-16098
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Post-synthetic shape-transformation processes provide access to colloidal nanocrystal morphologies that are unattainable by direct synthetic routes. Herein, we report our finding about the ligand-induced fragmentation of CsPbBr3 perovskite nanowires (NWs) into low aspect-ratio CsPbX3 (X = Cl, Br and I) nanorods (NRs) during halide ion exchange reaction with PbX2-ligand solution. The shape transformation of NWs-to-NRs resulted in an increase of photoluminescence efficiency owing to a decrease of nonradiative decay rates. Importantly, we found that the perovskite NRs exhibit single photon emission as revealed by photon antibunching measurements, while it is not detected in parent NWs. This work not only reports on the quantum light emission of low aspect ratio perovskite NRs, but also expands our current understanding of shape-dependent optical properties of perovskite nanocrystals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000452235600024 Publication Date 2018-10-12
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 70 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)”, by the China Scholarship Council (Y.T. and K.W.), by the Horizon 2020 research and innovation program under the Marie Skodowska-Curie Grant Agreement COMPASS No. 691185 and by LMU Munich's Institutional Strategy LMU excellent (L.P., J.F.). M.F., P.T. and B.L. acknowledge the financial support from the French National Agency for Research, the French Excellence Initiative (Idex Bordeaux, LAPHIA Program) and the Institut Universitaire de France. E.B. and S.B. acknowledge the financial support from the European Research Council Starting Grant # 335078-COLOURATOMS. L.P. thank the EU Infrastructure Project EUSMI (European Union's Horizon 2020, grant No 731019). ; Approved Most recent IF: 11.994
Call Number UA @ admin @ c:irua:156246 Serial 5283
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Author Grimaud, A.; Iadecola, A.; Batuk, D.; Saubanere, M.; Abakumov, A.M.; Freeland, J.W.; Cabana, J.; Li, H.; Doublet, M.-L.; Rousse, G.; Tarascon, J.-M.
Title (down) Chemical activity of the peroxide/oxide redox couple : case study of Ba5Ru2O11 in aqueous and organic solvents Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 11 Pages 3882-3893
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The finding that triggering the redox activity of oxygen ions within the lattice of transition metal oxides can boost the performances of materials used in energy storage and conversion devices such as Li-ion batteries or oxygen evolution electrocatalysts has recently spurred intensive and innovative research in the field of energy. While experimental and theoretical efforts have been critical in understanding the role of oxygen nonbonding states in the redox activity of oxygen ions, a clear picture of the redox chemistry of the oxygen species formed upon this oxidation process is still missing. This can be, in part, explained by the complexity in stabilizing and studying these species once electrochemically formed. In this work, we alleviate this difficulty by studying the phase Ba5Ru2O11, which contains peroxide O-2(2-) groups, as oxygen evolution reaction electrocatalyst and Li-ion battery material. Combining physical characterization and electrochemical measurements, we demonstrate that peroxide groups can easily be oxidized at relatively low potential, leading to the formation of gaseous dioxygen and to the instability of the oxide. Furthermore, we demonstrate that, owing to the stabilization at high energy of peroxide, the high-lying energy of the empty sigma* antibonding O-O states limits the reversibility of the electrochemical reactions when the O-2(2-)/O2- redox couple is used as redox center for Li-ion battery materials or as OER redox active sites. Overall, this work suggests that the formation of true peroxide O-2(2-) states are detrimental for transition metal oxides used as OER catalysts and Li-ion battery materials. Rather, oxygen species with O-O bond order lower than 1 would be preferred for these applications.
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Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor
Language Wos 000435416600038 Publication Date 2018-05-21
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 2 Open Access Not_Open_Access
Notes ; We thank S. Belin of the ROCK beamline (financed by the French National Research Agency (ANR) as a part of the “Investissements d'Avenir” program, reference: ANR-10-EQPX-45; proposal no. 20160095) of synchrotron SOLEIL for her assistance during XAS measurements. Authors would also like to thank V. Nassif for her assistance on the D1B beamline. A.G, G.R, and J.-M.T. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant Project 670116-ARPEMA. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:151980 Serial 5016
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Author Hu, L.; Amini, M.N.; Wu, Y.; Jin, Z.; Yuan, J.; Lin, R.; Wu, J.; Dai, Y.; He, H.; Lu, Y.; Lu, J.; Ye, Z.; Han, S.-T.; Ye, J.; Partoens, B.; Zeng, Y.-J.; Ruan, S.
Title (down) Charge transfer doping modulated raman scattering and enhanced stability of black phosphorus quantum dots on a ZnO nanorod Type A1 Journal article
Year 2018 Publication Advanced Optical Materials Abbreviated Journal Adv Opt Mater
Volume 6 Issue 15 Pages 1800440
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Black phosphorus (BP) has recently triggered an unprecedented interest in the 2D community. However, many of its unique properties are not exploited and the well-known environmental vulnerability is not conquered. Herein, a type-I mixed-dimensional (0D-1D) van der Waals heterojunction is developed, where three-atomic-layer BP quantum dots (QDs) are assembled on a single ZnO nanorod (NR). By adjusting the indium (In) content in ZnO NRs, the degree and even the direction of surface charge transfer doping within the heterojunction can be tuned, which result in selective Raman scattering enhancements between ZnO and BP. The maximal enhancement factor is determined as 4340 for BP QDs with sub-ppm level. Furthermore, an unexpected long-term ambient stability (more than six months) of BP QDs is revealed, which is ascribed to the electron doping from ZnO:In NRs. The first demonstration of selective Raman enhancements between two inorganic semiconductors as well as the improved stability of BP shed light on this emerging 2D material.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000440815200023 Publication Date 2018-05-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2195-1071 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.875 Times cited 37 Open Access Not_Open_Access
Notes ; L. Hu and M. N. Amini contributed equally to this work. This work was supported by the National Natural Science Foundation of China under Grant Nos. 51502178, 81571763 and 81622026, the Shenzhen Science and Technology Project under Grant Nos. JCYJ20150324141711644, JCYJ20170412105400428, KQJSCX20170727101208249 and JCYJ20170302153853962. Parts of the computational calculations were carried out using the HPC infrastructure at University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the FWO-Vlaanderen and the Flemish Government (EWI Department). L. H. acknowledges the PhD Start-up Fund of Natural Science Foundation of Guangdong Province under Grand No. 2017A030310072. J. Y. acknowledges the funding of Shanghai Jiao Tong University (Nos. YG2016MS51 and YG2017MS54). ; Approved Most recent IF: 6.875
Call Number UA @ lucian @ c:irua:153112UA @ admin @ c:irua:153112 Serial 5082
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Author Claes, N.; Asapu, R.; Blommaerts, N.; Verbruggen, S.W.; Lenaerts, S.; Bals, S.
Title (down) Characterization of silver-polymer core–shell nanoparticles using electron microscopy Type A1 Journal article
Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 10 Issue 10 Pages 9186-9191
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Silver-polymer core–shell nanoparticles show interesting optical properties, making them widely applicable in the field of plasmonics. The uniformity, thickness and homogeneity of the polymer shell will affect the properties of the system which makes a thorough structural characterization of these core–shell silver-polymer nanoparticles of great importance. However, visualizing the shell and the particle simultaneously is far from straightforward due to the sensitivity of the polymer shell towards the electron beam. In this study, we use different 2D and 3D electron microscopy techniques to investigate different structural aspects of the polymer coating.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000437007700028 Publication Date 2018-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 11 Open Access OpenAccess
Notes N. C. and S. B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS) and from the FWO through project funding (G038116N). R. A. and S. L. acknowledge the Research Foundation Flanders (FWO) for financial support. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 7.367
Call Number EMAT @ emat @c:irua:151290UA @ admin @ c:irua:151290 Serial 4959
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Author Roegiers, J.; van Walsem, J.; Denys, S.
Title (down) CFD- and radiation field modeling of a gas phase photocatalytic multi-tube reactor Type A1 Journal article
Year 2018 Publication Chemical engineering journal Abbreviated Journal
Volume 338 Issue Pages 287-299
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This paper focusses on the development of a Multiphysics model as a tool for assessing the performance of a multi-tube photoreactor. The model predicts the transient behavior of acetaldehyde concentration, as a model compound for the organic fraction of the indoor air pollutants, under varying sets of conditions. A 3D-model couples radiation field modeling with reaction kinetics and fluid dynamics in order to simulate the transport of the pollutant as it progresses through the reactor. A model-based approach is proposed to determine the layer thickness and refractive index of different P25-powder modified solgel coatings, using an optimization procedure to estimate these parameters based on UV-irradiance measurements. The radiation field model was able to accurately predict the irradiance on the catalytic surface within the reactor. Consequently, the radiation field model was used to define an irradiance dependent reaction rate constant in a coupled Multiphysics model. An optimization routine was deployed to estimate the adsorption, desorption- and photocatalytic reaction rate constants on the TiO2-surface, using experimentally determined, transient outlet concentrations of acetaldehyde. Additionally, a validation test was performed in an air-tight climate chamber at much higher flow rates, higher irradiance and realistic indoor pollutant concentrations to emphasize the reliability and accuracy of the parameters for adsorption, desorption and photocatalytic reaction. The developed model makes it possible to optimize the reactor design and scale-up for commercial applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000427618400031 Publication Date 2018-01-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 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:149115 Serial 7589
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Author Wang, Z.; Zhang, Y.; Neyts, E.C.; Cao, X.; Zhang, X.; Jang, B.W.-L.; Liu, C.-jun
Title (down) Catalyst preparation with plasmas : how does it work? Type A1 Journal article
Year 2018 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume 8 Issue 3 Pages 2093-2110
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Catalyst preparation with plasmas is increasingly attracting interest. A plasma is a partially ionized gas, consisting of electrons, ions, molecules, radicals, photons, and excited species, which are all active species for catalyst preparation and treatment. Under the influence of plasma, nucleation and crystal growth in catalyst preparation can be very different from those in the conventional thermal approach. Some thermodynamically unfavorable reactions can easily take place with plasmas. Compounds such as sulfides, nitrides, and phosphides that are produced under harsh conditions can be synthesized by plasma under mild conditions. Plasmas can produce catalysts with smaller particle sizes and controllable structure. Plasma is also a facile tool for reduction, oxidation, doping, etching, coating, alloy formation, surface treatment, and surface cleaning in a simple and direct way. A rapid and convenient plasma template removal has thus been established for zeolite synthesis. It can operate at room temperature and allows the catalyst preparation on temperature-sensitive supporting materials. Plasma is typically effective for the production of various catalysts on metallic substrates. In addition, plasma-prepared transition-metal catalysts show enhanced low-temperature activity with improved stability. This provides a useful model catalyst for further improvement of industrial catalysts. In this review, we aim to summarize the recent advances in catalyst preparation with plasmas. The present understanding of plasma-based catalyst preparation is discussed. The challenges and future development are addressed.
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Corporate Author Thesis
Publisher Amer chemical soc Place of Publication Washington Editor
Language Wos 000426804100055 Publication Date 2018-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.614 Times cited 81 Open Access Not_Open_Access
Notes Approved Most recent IF: 10.614
Call Number UA @ lucian @ c:irua:150880 Serial 4963
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title (down) Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects Type P1 Proceeding
Year 2018 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX Abbreviated Journal
Volume Issue Pages 92-96
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000516619300024 Publication Date 2018-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 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:181281 Serial 7579
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Author de Aquino, B.R.C.H.T.
Title (down) Carbon nanotubes and graphene based devices : from nanosensors to confined water Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:154838 Serial 5081
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Author de Aquino, B.R.C.H.T.
Title (down) Carbon nanotubes and graphene based devices : from nanosensors to confined water Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 161 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:154838 Serial 5197
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Author Dimitrievska, M.; Shea, P.; Kweon, K.E.; Bercx, M.; Varley, J.B.; Tang, W.S.; Skripov, A.V.; Stavila, V.; Udovic, T.J.; Wood, B.C.
Title (down) Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 Type A1 Journal article
Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater
Volume 8 Issue 15 Pages 1703422
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The disordered phases of LiCB11H12 and NaCB11H12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB11H12- anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB11H12- also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10(10) s(-1), suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB11H12- salts compared with B12H122-.
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Corporate Author Thesis
Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication Weinheim Editor
Language Wos 000434031400026 Publication Date 2018-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.721 Times cited 20 Open Access OpenAccess
Notes ; This work was performed in part under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and funded by Laboratory Directed Research and Development Grant 15-ERD-022. Computing support came from the LLNL Institutional Computing Grand Challenge program. This work was also performed in part within the assignment of the Russian Federal Agency of Scientific Organizations (program “Spin” No. 01201463330). The authors gratefully acknowledge support from the Russian Foundation for Basic Research under Grant No. 15-03-01114 and the Ural Branch of the Russian Academy of Sciences under Grant No. 15-9-2-9. A.V.S. gratefully acknowledges travel support from CRDF Global in conjunction with this work under Grant No. FSCX-15-61826-0. M.D. gratefully acknowledges research support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract No. DE-AC36-08GO28308. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249. The views, opinions, findings, and conclusions stated herein are those of the authors and do not necessarily reflect those of CRDF Global, or the United States Government or any agency thereof. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ; Approved Most recent IF: 16.721
Call Number UA @ lucian @ c:irua:152045 Serial 5015
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Author Belov, I.; Vermeiren, V.; Paulussen, S.; Bogaerts, A.
Title (down) Carbon dioxide dissociation in a microwave plasma reactor operating in a wide pressure range and different gas inlet configurations Type A1 Journal article
Year 2018 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util
Volume 24 Issue Pages 386-397
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Microwave (MW) plasmas represent a promising solution for efficient CO2 dissociation. MW discharges are also very versatile and can be sustained at various pressure and gas flow regimes. To identify the most favorable conditions for the further scale-up of the CO2 decomposition reaction, a MW plasma reactor operating in pure CO2 in a wide pressure range (200 mbar–1 bar) is studied. Three different gas flow configurations are explored: a direct, reverse and a vortex regime. The CO2 conversion and energy efficiency drop almost linearly with increasing pressure, regardless of the gas flow regime. The results obtained in the direct flow configuration underline the importance of post-discharge cooling, as the exhaust of the MW plasma reactor in this regime expanded into the vacuum chamber without additional quenching. As a result, this system yields exhaust temperatures of up to 1000 K, which explains the lowest conversion (∼3.5% at 200 mbar and 2% at 1 bar). A post-discharge cooling step is introduced for the reverse gas inlet regime and allows the highest conversion to be achieved (∼38% at 200 mbar and 6.2% at 1 bar, with energy efficiencies of 23% and 3.7%). Finally, a tangential gas inlet is utilized in the vortex configuration to generate a swirl flow pattern. This results in the generation of a stable discharge in a broader range of CO2 flows (15–30 SLM) and the highest energy efficiencies obtained in this study (∼25% at 300 mbar and ∼13% at 1 bar, at conversions of 21% and 12%). The experimental results are complemented with computational fluid dynamics simulations and with the analysis of the latest literature to identify the further research directions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000428234500045 Publication Date 2018-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.292 Times cited 8 Open Access Not_Open_Access: Available from 16.03.2020
Notes The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7-PEOPLE-2013- ITN) under Grant Agreement№606889 (R Approved Most recent IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:150874 Serial 4955
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Author Alloul, A.; Ganigue, R.; Spiller, M.; Meerburg, F.; Cagnetta, C.; Rabaey, K.; Vlaeminck, S.E.
Title (down) Capture-ferment-upgrade : a three-step approach for the valorization of sewage organics as commodities Type A1 Journal article
Year 2018 Publication Environmental science and technology Abbreviated Journal
Volume 52 Issue 12 Pages 6729-6742
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This critical review outlines a roadmap for the conversion of chemical oxygen demand (COD) contained in sewage to commodities based on three-steps: capture COD as sludge, ferment it to volatile fatty acids (VFA), and upgrade VFA to products. The article analyzes the state-of-the-art of this three step approach and discusses the bottlenecks and challenges. The potential of this approach is illustrated for the European Union's 28 member states (EU-28) through Monte Carlo simulations. High-rate contact stabilization captures the highest amount of COD (66-86 g COD person equivalent(-1) day(-1) in 60% of the iterations). Combined with thermal hydrolysis, this would lead to a VFA-yield of 23-44 g COD person equivalent(-1) day(-1). Upgrading VFA generated by the EU-28 would allow, in 60% of the simulations, for a yearly production of 0.2-2.0 megatonnes of esters, 0.7-1.4 megatonnes of polyhydroxyalkanoates or 0.6-2.2 megatonnes of microbial protein substituting, respectively, 20-273%, 70-140% or 21-72% of their global counterparts (i.e., petrochemical-based esters, bioplastics or fishmeal). From these flows, we conclude that sewage has a strong potential as biorefinery feedstock, although research is needed to enhance capture, fermentation and upgrading efficiencies. These developments need to be supported by economic/environmental analyses and policies that incentivize a more sustainable management of our resources.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000436018900004 Publication Date 2018-05-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:151968 Serial 7574
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Author Zhang, Q.-Z.; Bogaerts, A.
Title (down) Capacitive electrical asymmetry effect in an inductively coupled plasma reactor Type A1 Journal Article
Year 2018 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume 27 Issue 10 Pages 105019
Keywords A1 Journal Article; electrical asymmetry effect, inductively coupled plasma, self-bias, independent control of the ion fluxes and ion energy; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract The electrical asymmetry effect is realized by applying multiple frequency power sources

(13.56 MHz and 27.12 MHz) to a capacitively biased substrate electrode in a specific inductively

coupled plasma reactor. On the one hand, by adjusting the phase angle θ between the multiple

frequency power sources, an almost linear self-bias develops on the substrate electrode, and

consequently the ion energy can be well modulated, while the ion flux stays constant within a

large range of θ. On the other hand, the plasma density and ion flux can be significantly

modulated by tuning the inductive power supply, while only inducing a small change in the self-

bias. Independent control of self-bias/ion energy and ion flux can thus be realized in this specific

inductively coupled plasma reactor.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000448434100001 Publication Date 2018-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 1 Open Access Not_Open_Access
Notes We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 3.302
Call Number PLASMANT @ plasmant @c:irua:155506 Serial 5069
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Author Attri, P.; Han, J.; Choi, S.; Choi, E.H.; Bogaerts, A.; Lee, W.
Title (down) CAP modifies the structure of a model protein from thermophilic bacteria: mechanisms of CAP-mediated inactivation Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 1 Pages 10218
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma (CAP) has great potential for sterilization in the food industry, by deactivation of thermophilic bacteria, but the underlying mechanisms are largely unknown. Therefore, we investigate here whether CAP is able to denature/modify protein from thermophilic bacteria. We focus on MTH1880 (MTH) from Methanobacterium thermoautotrophicum as model protein, which we treated with dielectric barrier discharge (DBD) plasma operating in air for 10, 15 and 20 mins. We analysed the structural changes of MTH using circular dichroism, fluorescence and NMR spectroscopy, as well as the thermal and chemical denaturation, upon CAP treatment. Additionally, we performed molecular dynamics (MD) simulations to determine the stability, flexibility and solvent accessible surface area (SASA) of both the native and oxidised protein.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000437414500004 Publication Date 2018-06-29
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 6 Open Access OpenAccess
Notes We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by NRF-2017R1A2B2008483 to W.L. through the National Research Foundation of Korea (NRF) and BK+ program (J.H.). E.H.C. acknowledges the NRF (NRF-2016K1A4A3914113 and No. 20100027963). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 4.259
Call Number PLASMANT @ plasmant @c:irua:152817c:irua:152431 Serial 5002
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Author Volykhov, A.A.; Sanchez-Barriga, J.; Batuk, M.; Callaert, C.; Hadermann, J.; Sirotina, A.P.; Neudachina, V.S.; Belova, A.I.; Vladimirova, N.V.; Tamm, M.E.; Khmelevsky, N.O.; Escudero, C.; Perez-Dieste, V.; Knop-Gericke, A.; Yashina, L.V.
Title (down) Can surface reactivity of mixed crystals be predicted from their counterparts? A case study of (Bi1-xSbx)2Te3 topological insulators 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 33 Pages 8941-8949
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The behavior of ternary mixed crystals or solid solutions and its correlation with the properties of their binary constituents is of fundamental interest. Due to their unique potential for application in future information technology, mixed crystals of topological insulators with the spin-locked, gapless states on their surfaces attract huge attention of physicists, chemists and material scientists. (Bi1-xSbx)(2)Te-3 solid solutions are among the best candidates for spintronic applications since the bulk carrier concentration can be tuned by varying x to obtain truly bulk-insulating samples, where the topological surface states largely contribute to the transport and the realization of the surface quantum Hall effect. As this ternary compound will be evidently used in the form of thin-film devices its chemical stability is an important practical issue. Based on the atomic resolution HAADF-TEM and EDX data together with the XPS results obtained both ex situ and in situ, we propose an atomistic picture of the mixed crystal reactivity compared to that of its binary constituents. We find that the surface reactivity is determined by the probability of oxygen attack on the Te-Sb bonds, which is directly proportional to the number of Te atoms bonded to at least one Sb atom. The oxidation mechanism includes formation of an amorphous antimony oxide at the very surface due to Sb diffusion from the first two quintuple layers, electron tunneling from the Fermi level of the crystal to oxygen, oxygen ion diffusion to the crystal, and finally, slow Te oxidation to the +4 oxidation state. The oxide layer thickness is limited by the electron transport, and the overall process resembles the Cabrera-Mott mechanism in metals. These observations are critical not only for current understanding of the chemical reactivity of complex crystals, but also to improve the performance of future spintronic devices based on topological materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000443279300007 Publication Date 2018-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 3 Open Access Not_Open_Access
Notes ; The authors acknowledge financial support within the bilateral program "Russian-German Laboratory at BESSY II''. We thank Helmholtz-Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and ISISS. Support of ALBA staff during measurements at the CIRCE beamline is gratefully acknowledged. We thank Dr Ivan Bobrikov for support in the XRD measurements and Daria Tsukanova for the participation in crystal preparation and XPS measurements. A. Volykhov thanks RSF (grant 18-73-00248) for financial support. A. I. Belova acknowledges support from the G-RISC Centre of Excellence. The work was supported by Helmholtz Gemeinschaft (Grant No. HRJRG-408) and RFBR (grant 14-03-31518). J. H. and C. C. acknowledge support from the University of Antwerp through the BOF grant 31445. ; Approved Most recent IF: 5.256
Call Number UA @ lucian @ c:irua:153647 Serial 5080
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Author Zhao, H.; Hu, Z.; Liu, J.; Li, Y.; Wu, M.; Van Tendeloo, G.; Su, B.-L.
Title (down) 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
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 Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R.
Title (down) Biomonitoring of atmospheric particulate pollution via chemical composition and magnetic properties of roadside tree leaves Type A1 Journal article
Year 2018 Publication Environmental Science and Pollution Research Abbreviated Journal Environ Sci Pollut R
Volume 25 Issue 26 Pages 25994-26004
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Particulate matter (PM) is a main atmospheric pollution which threats human health and well-being. In this research, we chemically and magnetically analysed roadside tree leaves, collected from three tree species in two main roads (from two different cities) and a reference area, for 28 elements and the saturation isothermal remanent magnetisation. Comparison of unwashed and washed leaves revealed that deposited particles on the leaf surface contain various elements including Al, Ca, Fe, Mg, Mn, Na, Si, Ti, Ba, Co, Cr, Cu, Ni, Rb, V, Zn and Zr. Moreover, there was no significant difference between washed/unwashed leaves in Cl, K, P, S, As, Cd, Cs, Pb, Sn and Sr concentrations, which indicates tree leaves may not be a suitable biomonitor for these elements. Our results showed that site and tree species are important factors which affect atmospheric elements deposition. Among the three considered tree species, Chamaecyparis lawsoniana showed the highest potential for atmospheric particle accumulation. The PCA results revealed that Al, Fe, Ti, Co, Cr, Cu, Ni, Rb, Si, V, Zn and Zr indicated emissions from road traffic activities and soil dust; Ca, Mg and Na from sea salts and Mn and Sb from industrial activity. The biplot results showed that the site effect was much stronger than the species effect for all elements and saturation isothermal remanent magnetisation (SIRM) values. Moreover, elements from traffic, industrial activity and soil dust are significantly correlated with leaf SIRM indicating that leaf SIRM can be a suitable bioindicator of exposure to traffic-derived particles and soil dust, and not from sea salts. It is concluded that chemical composition and SIRM of urban tree leaves can serve as a good indicator of atmospheric PM pollution in Iran and anywhere else where the studied trees grow.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000443329100034 Publication Date 2018-07-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.741 Times cited 6 Open Access
Notes ; ; Approved Most recent IF: 2.741
Call Number UA @ admin @ c:irua:153669 Serial 5489
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Author Bottari, F.; Blust, R.; De Wael, K.
Title (down) Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics Type A1 Journal article
Year 2018 Publication Current opinion in electrochemistry Abbreviated Journal
Volume 10 Issue 10 Pages 143-148
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The dire previsions of the WHO on the so-called “post-antibiotic era” and the continuous and global rise of anti-microbial resistance, spurs our research community to find better ways to fight these threats. In light of this severe threat to human health many attempts have been made to develop efficient methods to detect antibiotic residues in different streams. The use of electrochemistry seems an inviting approach for on-site and fast monitoring. In this critical review, recent developments in the field of (bio) electro-sensing of 19-lactam antibiotics will be presented, with a focus on aptamers and molecularly imprinted polymers, the two main promises of a new generation of biosensors, yet to be fulfilled.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000442800000022 Publication Date 2018-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2451-9103; 2451-9111 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor Times cited 15 Open Access
Notes ; This work was financially supported by the University of Antwerp (BOF) and the Research Foundation – Flanders (FWO). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:153744 Serial 5488
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Author Bizindavyi, J.; Verhulst, A.S.; Smets, Q.; Verreck, D.; Sorée, B.; Groeseneken, G.
Title (down) Band-Tails Tunneling Resolving the Theory-Experiment Discrepancy in Esaki Diodes Type A1 Journal article
Year 2018 Publication IEEE journal of the Electron Devices Society Abbreviated Journal Ieee J Electron Devi
Volume 6 Issue 1 Pages 633-641
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Discrepancies exist between the theoretically predicted and experimentally measured performance of band-to-band tunneling devices, such as Esaki diodes and tunnel field-effect transistors (TFETs). We resolve this discrepancy for highly-doped, direct-bandgap Esaki diodes by successfully calibrating a semi-classical model for high-doping-induced ballistic band-tails tunneling currents at multiple temperatures with two In0.53Ga0.47As Esaki diodes using their SIMS doping profiles, C-V characteristics and their forward-bias current density in the negative differential resistance (NDR) regime. The current swing in the NDR regime is shown not to be linked to the band-tails Urbach energy. We further demonstrate theoretically that the calibrated band-tails contribution is also the dominant band-tails contribution to the subthreshold swing of the corresponding TFETs. Lastly, we verify that the presented procedure is applicable to all direct-bandgap semiconductors by successfully applying it to InAs Esaki diodes in literature.
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Corporate Author Thesis
Publisher IEEE, Electron Devices Society Place of Publication New York, N.Y. Editor
Language Wos 000435505000013 Publication Date 2018-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-6734 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.141 Times cited 5 Open Access
Notes ; J. Bizindavyi gratefully acknowledges FWO-Vlaanderen for a Strategic Basic Research PhD fellowship. ; Approved Most recent IF: 3.141
Call Number UA @ lucian @ c:irua:152097UA @ admin @ c:irua:152097 Serial 5014
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Author Lane, T.L.M.; Andelkovic, M.; Wallbank, J.R.; Covaci, L.; Peeters, F.M.; Fal'ko, V.I.
Title (down) Ballistic electron channels including weakly protected topological states in delaminated bilayer graphene Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 4 Pages 045301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('We show that delaminations in bilayer graphene (BLG) with electrostatically induced interlayer symmetry can provide one with ballistic channels for electrons with energies inside the electrostatically induced BLG gap. These channels are formed by a combination of valley-polarized evanescent states propagating along the delamination edges (which persist in the presence of a strong magnetic field) and standing waves bouncing between them inside the delaminated region (in a strong magnetic field, these transform into Landau levels in the monolayers). For inverted stackings in BLGs on the left and right of the delamination (AB-2ML-BA or BA-2ML-AB, where 2ML indicates two decoupled monolayers of graphene), the lowest-energy ballistic channels are gapless, have linear dispersion, and appear to be weakly topologically protected. When BLG stackings on both sides of the delamination are the same (AB-2ML-AB or BA-2ML-BA), the lowest-energy ballistic channels are gapped, with a gap epsilon(g) scaling as epsilon(g) alpha W-1 with delamination width and epsilon(g) alpha delta(-1) with the on-layer energy difference in the delaminated part of the structure. Depending on the width, delaminations may also support several \u0022higher-energy\u0022 waveguide modes. Our results are based on both the analytical study of the wave matching of Dirac states and tight-binding model calculations, and we analyze in detail the dependence of the delamination spectrum on the electrostatic conditions in the structure, such as the vertical displacement field.'));
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000419772200005 Publication Date 2018-01-11
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 11 Open Access
Notes ; This work was funded by EPSRC via EPSRC Grand Engineering Chellenges Grant No. EP/N010345, the Manchester NOWNANO CDT EP/L-1548X, the Flemish Science Foundation (FWO-VI), the European Graphene Flagship project, ERC Synergy grant Hetero2D, and FLAG-ERA project TRANS2DTMD. The authors would like to acknowledge useful discussions with M. Zarenia, S. Slizovskiy, E. McCann, and K. Novesolov. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:148441UA @ admin @ c:irua:148441 Serial 4868
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Author Shaw, P.; Kumar, N.; Kwak, H.S.; Park, J.H.; Uhm, H.S.; Bogaerts, A.; Choi, E.H.; Attri, P.
Title (down) Bacterial inactivation by plasma treated water enhanced by reactive nitrogen species Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 1 Pages 11268
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract There is a growing body of literature that recognizes the importance of plasma treated water (PTW)for inactivation of microorganism. However, very little attention has been paid to the role of reactive nitrogen species (RNS) in deactivation of bacteria. The aim of this study is to explore the role of RNS in bacterial killing, and to develop a plasma system with increased sterilization efficiency. To increase the concentration of reactive oxygen and nitrogen species (RONS) in solution, we have used vapor systems (DI water/HNO3 at different wt%) combined with plasma using N2 as working gas. The results show that the addition of the vapor system yields higher RONS contents. Furthermore, PTW produced by N2 + 0.5 wt% HNO3 vapor comprises a large amount of both RNS and ROS, while PTW created by N2 + H2O vapor consists of a large amount of ROS, but much less RNS. Interestingly, we observed more deactivation of E. Coli with PTW created by N2 + 0.5 wt% HNO3 vapor plasma as compared to PTW generated by the other plasma systems. This work provides new insight into the role of RNS along with ROS for deactivation of bacteria.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000439805700029 Publication Date 2018-07-20
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 We gratefully acknowledge the Leading Foreign Research Institute Recruitment program (Grant # NRF- 2016K1A4A3914113) throughout the Basic Science Research Program of the National Research Foundation (NRF) of Korea and in part by Kwangwoon University 2018. JHP thanks to NRF Grant No. NRF- 2017R1D1A1B03033495. We also acknowledge financial support from the Research Foundation – Flanders (FWO) (Grant Number 12J5617N) and from the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon 2020 (Grant Number 743546). Approved Most recent IF: 4.259
Call Number PLASMANT @ plasmant @c:irua:152821 Serial 5003
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Author Zhong, Z.; Aveyard, R.; Rieger, B.; Bals, S.; Palenstijn, W.J.; Batenburg, K.J.
Title (down) Automatic correction of nonlinear damping effects in HAADF-STEM tomography for nanomaterials of discrete compositions Type A1 Journal article
Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 184 Issue 184 Pages 57-65
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('HAADF-STEM tomography is a common technique for characterizing the three-dimensional morphology of nanomaterials. In conventional tomographic reconstruction algorithms, the image intensity is assumed to be a linear projection of a physical property of the specimen. However, this assumption of linearity is not completely valid due to the nonlinear damping of signal intensities. The nonlinear damping effects increase w.r.t the specimen thickness and lead to so-called \u0022cupping artifacts\u0022, due to a mismatch with the linear model used in the reconstruction algorithm. Moreover, nonlinear damping effects can strongly limit the applicability of advanced reconstruction approaches such as Total Variation Minimization and discrete tomography. In this paper, we propose an algorithm for automatically correcting the nonlinear effects and the subsequent cupping artifacts. It is applicable to samples in which chemical compositions can be segmented based on image gray levels. The correction is realized by iteratively estimating the nonlinear relationship between projection intensity and sample thickness, based on which the projections are linearized. The correction and reconstruction algorithms are tested on simulated and experimental data. (C) 2017 Elsevier B.V. All rights reserved.'));
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000417779800008 Publication Date 2017-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 8 Open Access OpenAccess
Notes ; This research is supported by the Dutch Technology Foundation STW (http:// www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. Funding from the European Research Council (Starting grant no. COLOURATOMS 335078) is acknowledged by S. Bals. The authors would like to thank Dr. Thomas Altantzis and Dr. Bart Goris for providing the experimental data, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. ; ecas_sara Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:148501UA @ admin @ c:irua:148501 Serial 4867
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Author Neyts, E.C.
Title (down) Atomistic simulations of plasma catalytic processes Type A1 Journal article
Year 2018 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
Volume 12 Issue 1 Pages 145-154
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000425156500017 Publication Date 2017-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.712 Times cited 5 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.712
Call Number UA @ lucian @ c:irua:149233 Serial 4927
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Author Müller-Caspary, K.; Duchamp, M.; Roesner, M.; Migunov, V.; Winkler, F.; Yang, H.; Huth, M.; Ritz, R.; Simson, M.; Ihle, S.; Soltau, H.; Wehling, T.; Dunin-Borkowski, R.E.; Van Aert, S.; Rosenauer, A.
Title (down) Atomic-scale quantification of charge densities in two-dimensional materials Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 98 Issue 12 Pages 121408
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The charge density is among the most fundamental solid state properties determining bonding, electrical characteristics, and adsorption or catalysis at surfaces. While atomic-scale charge densities have as yet been retrieved by solid state theory, we demonstrate both charge density and electric field mapping across a mono-/bilayer boundary in 2D MoS2 by momentum-resolved scanning transmission electron microscopy. Based on consistency of the four-dimensional experimental data, statistical parameter estimation and dynamical electron scattering simulations using strain-relaxed supercells, we are able to identify an AA-type bilayer stacking and charge depletion at the Mo-terminated layer edge.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000445508200004 Publication Date 2018-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access OpenAccess
Notes ; K.M.-C. acknowledges funding from the Initiative and Network Fund of the Helmholtz Association (VH-NG-1317) within the framework of the Helmholtz Young Investigator Group moreSTEM at Forschungszentrum Julich, Germany. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:153621 Serial 5078
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Author Gauquelin, N.; Zhang, H.; Zhu, G.; Wei, J.Y.T.; Botton, G.A.
Title (down) Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films Type A1 Journal article
Year 2018 Publication AIP advances Abbreviated Journal Aip Adv
Volume 8 Issue 5 Pages 055022
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s).
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Melville, NY Editor
Language Wos 000433954000022 Publication Date 2018-05-21
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 1 Open Access OpenAccess
Notes ; We are thankful to Julia Huang for FIB TEM sample preparation. This work is supported by NSERC (through Discovery Grants to GAB and JYTW) and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by McMaster University, the Canada Foundation for Innovation and NSERC. N.G. acknowledges H. Idrissi for useful discussions. ; Approved Most recent IF: 1.568
Call Number UA @ lucian @ c:irua:152063 Serial 5013
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Author Razzokov, J.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A.
Title (down) Atomic scale understanding of the permeation of plasma species across native and oxidized membranes Type A1 Journal article
Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 51 Issue 36 Pages 365203
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasmas (CAPs) have attracted significant interest for their potential benefits in medical applications, including cancer therapy. The therapeutic effects of CAPs are related to reactive oxygen and nitrogen species (ROS and RNS) present in the plasma. The impact of ROS has been extensively studied, but the role of RNS in CAP-treatment remains poorly understood at the molecular level. Here, we investigate the permeation of RNS and ROS across native and oxidized phospholipid bilayers (PLBs) by means of computer simulations. The results reveal significantly lower free energy barriers for RNS (i.e. NO, NO2, N2O4) and O3 compared to hydrophilic ROS, such as OH, HO2 and H2O2. This suggests that the investigated RNS and O3 can permeate more easily through both native and oxidized PLBs in comparison to hydrophilic ROS, indicating their potentially important role in plasma medicine.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000441182400002 Publication Date 2018-08-08
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 10 Open Access OpenAccess
Notes M Y gratefully acknowledges financial support from the Research Foundation—Flanders (FWO), grant 1200216N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. RMC thanks FAPESP and CNPq for financial support (grants 2012/50680-5 and 459270/2014-1, respectively). Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:152824 Serial 5005
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Author Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A.
Title (down) Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment Type A1 Journal article
Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 51 Issue 12 Pages 125401
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000426378100001 Publication Date 2018-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 7 Open Access OpenAccess
Notes MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:149382 Serial 4811
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Author 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 (down) 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.
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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 Jafari, A.; Kaji, H.S.; Azadi, H.; Gebrehiwot, K.; Aghamir, F.; Van Passel, S.
Title (down) Assessing the sustainability of community forest management : a case study from Iran Type A1 Journal article
Year 2018 Publication Forest Policy And Economics Abbreviated Journal Forest Policy Econ
Volume 96 Issue 96 Pages 1-8
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract The development of sustainability criteria and indicators is necessary to assess the current management and to recognize appropriate management approaches towards sustainable forest management (SFM). The aim of this study is to assess the sustainability of current management in the Dopolan community forest and assess alternative management scenarios towards SFM. To this end, we applied multi criteria analysis which consists of three steps: a) developing a primary set of criteria and indicators (C&Is) on focus groups discussions, b) finalizing and weighing the set of C&Is, applying a pair wise comparison as well as ranking method, and c) assessing the current forest management regimes and alternative scenarios against a set of C&Is. As a result, 8 criteria and 40 indicators were selected. Our results indicated that to achieve SFM, the criteria including forest protection against natural and human factors, the establishment of appropriate legal and institutional requirements and socioeconomic functions of forests, are the most important criteria (weighted 14.60%, 14.28% and 13.96%, respectively). Assessing the current management regimes revealed that the criteria consisting of biodiversity conservation and local communities' awareness have the maximum distance to SFM (weighted 7.75% and 9.18%, respectively). Among the alternative forest management scenarios, the sixth scenario namely conservation and rehabilitation, local investment attraction in forest conservation and rehabilitation, enabling and capacity building of forest inhabitants were realized as the best scenarios (weighted 26.20%) to achieve SFM. A joint effort of the concerned government forestry officials and local people is needed to enhance the sustainability of all community based forestry models.
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Publisher Place of Publication Editor
Language Wos 000445985000001 Publication Date 2018-08-17
Series Editor Series Title Abbreviated Series Title
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ISSN 1389-9341 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 1.982 Times cited 4 Open Access
Notes ; ; Approved Most recent IF: 1.982
Call Number UA @ admin @ c:irua:154138 Serial 6155
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Author Srivastava, A.; Van Passel, S.; Laes, E.
Title (down) Assessing the success of electricity demand response programs : a meta-analysis Type A1 Journal article
Year 2018 Publication Energy Research and Social Science Abbreviated Journal
Volume 40 Issue 40 Pages 110-117
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This paper conducts a meta-analysis of 32 electricity demand response programs in the residential sector to understand whether their success is dependent on specific characteristics. The paper analyses several regression models using various combinations of variables that capture the designs of the programs and the socio-economic conditions in which the programs are implemented. The analysis reveals that demand response programs are more likely to succeed in highly urbanized areas, in areas where economic growth rates are high, and in areas where the renewable energy policy is favorable. These findings provide useful guidance in determining where and how to implement future demand response programs.
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Publisher Place of Publication Editor
Language Wos 000430737800014 Publication Date 2017-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2214-6296 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:149027 Serial 6154
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