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Author Verhulst, A.; Sorée, B.; Leonelli, D.; Vandenberghe, W.G.; Groeseneken, G. doi  openurl
  Title (up) Modeling the single-gate, double-gate, and gate-all-around tunnel field-effect transistor Type A1 Journal article
  Year 2010 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 107 Issue 2 Pages 024518,1-024518,8  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract Tunnel field-effect transistors (TFETs) are potential successors of metal-oxide-semiconductor FETs because scaling the supply voltage below 1 V is possible due to the absence of a subthreshold-swing limit of 60 mV/decade. The modeling of the TFET performance, however, is still preliminary. We have developed models allowing a direct comparison between the single-gate, double-gate, and gate-all-around configuration at high drain voltage, when the drain-voltage dependence is negligible, and we provide improved insight in the TFET physics. The dependence of the tunnel current on device parameters is analyzed, in particular, the scaling with gate-dielectric thickness, channel thickness, and dielectric constants of gate dielectric and channel material. We show that scaling the gate-dielectric thickness improves the TFET performance more than scaling the channel thickness and that improvements are often overestimated. There is qualitative agreement between our model and our experimental data.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000274180600122 Publication Date 2010-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 150 Open Access  
  Notes Approved Most recent IF: 2.068; 2010 IF: 2.079  
  Call Number UA @ lucian @ c:irua:89507 Serial 2146  
Permanent link to this record
 

 
Author Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B. pdf  doi
openurl 
  Title (up) Modeling ultrashort laser-induced emission from a negatively biased metal Type A1 Journal article
  Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue 22 Pages 221603-221604  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A theoretical study of ultrashort laser-induced electron emission from a negatively biased metallic cathode has been performed. Classical as well as tunneling electron emission mechanisms are considered. It was found that electron emission is governed by an interplay of processes inside as well as above the cathode. A hybrid model is proposed, where the electron distribution within the target is retrieved from Boltzmann scattering integrals, while the charge distribution above it is studied by a Particle-In-Cell simulation. The results indicate that non-equilibrium effects determine the initial emission process, whereas the space charge above the target suppresses the effectively emitted charge.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000327696300020 Publication Date 2013-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 8 Open Access  
  Notes Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:111815 Serial 2147  
Permanent link to this record
 

 
Author De wael, A.; De Backer, A.; Lobato, I.; Van Aert, S. pdf  url
doi  openurl
  Title (up) Modelling ADF STEM images using elliptical Gaussian peaks and its effects on the quantification of structure parameters in the presence of sample tilt Type A1 Journal article
  Year 2021 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume Issue Pages 113391  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A small sample tilt away from a main zone axis orientation results in an elongation of the atomic columns in ADF STEM images. An often posed research question is therefore whether the ADF STEM image intensities of tilted nanomaterials should be quantified using a parametric imaging model consisting of elliptical rather than the currently used symmetrical peaks. To this purpose, simulated ADF STEM images corresponding to different amounts of sample tilt are studied using a parametric imaging model that consists of superimposed 2D elliptical Gaussian peaks on the one hand and symmetrical Gaussian peaks on the other hand. We investigate the quantification of structural parameters such as atomic column positions and scattering cross sections using both parametric imaging models. In this manner, we quantitatively study what can be gained from this elliptical model for quantitative ADF STEM, despite the increased parameter space and computational effort. Although a qualitative improvement can be achieved, no significant quantitative improvement in the estimated structure parameters is achieved by the elliptical model as compared to the symmetrical model. The decrease in scattering cross sections with increasing sample tilt is even identical for both types of parametric imaging models. This impedes direct comparison with zone axis image simulations. Nonetheless, we demonstrate how reliable atom-counting can still be achieved in the presence of small sample tilt.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000704334200001 Publication Date 2021-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited Open Access OpenAccess  
  Notes This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N, G.0267.18N, and EOS 30489208. S.V.A. acknowledges TOP BOF funding from the University of Antwerp.; esteem3JRA; esteem3reported Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @c:irua:181462 Serial 6810  
Permanent link to this record
 

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

 
Author Deutsch, F.; Vankerkom, J.; Janssen, L.; Janssen, S.; Bencs, L.; Van Grieken, R.; Fierens, F.; Dumont, G.; Mensink, C. doi  openurl
  Title (up) Modelling concentrations of airborne primary and secondary PM10 and PM2.5 with the BelEUROS-model in Belgium Type A1 Journal article
  Year 2008 Publication Ecological modelling Abbreviated Journal  
  Volume 217 Issue 3/4 Pages 230-239  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The Eulerian Chemistry-Transport Model BelEUROS was used to calculate the concentrations of airborne PM10 and PM2.5 over Europe. Both primary as well as secondary particulate matter in the respirable size-range was taken into account. Especially PM2.5 aerosols are often formed in the atmosphere from gaseous precursor compounds. Comprehensive computer codes for the calculation of gas phase chemical reactions and thermodynamic equilibria between compounds in the gas-phase and the particulate phase had been implemented into the BelEUROS-model. Calculated concentrations of PM10 and PM2.5 are compared to observations, including both the spatial and daily, temporal distribution of particulate matter in Belgium for certain monitoring locations and periods. The concentrations of the secondary compounds ammonium, nitrate and sulfate have also been compared to observed values. BeIEUROS was found to reproduce the observed concentrations rather well. The model was applied to assess the contribution of emissions derived from the sector agriculture in Flanders, the northern part of Belgium, to PM10- and PM2.5-concentrations. The results demonstrate the importance of ammonia emissions in the formation of secondary particulate matter. Hence, future European emission abatement policy should consider more the role of ammonia in the formation of secondary particles  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000259842900004 Publication Date 2008-07-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3800 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:70073 Serial 8268  
Permanent link to this record
 

 
Author Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A. pdf  doi
openurl 
  Title (up) Modelling environmental impacts of treated municipal wastewater reuse for tree crops irrigation in the Mediterranean coastal region Type A1 Journal article
  Year 2019 Publication Science Of The Total Environment Abbreviated Journal Sci Total Environ  
  Volume 660 Issue 660 Pages 1513-1521  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Wastewater reuse provides valuable solutions to solve the societal challenges of decreasing availability and limiting access to secure water resources. The present study quantifies the environmental performance of nectarine orchards irrigation using treated municipal wastewater (TMW) and surface water using a unique dataset based on field experimental data. Climate change, toxicity (for human and freshwater), eutrophication (marine and freshwater) and acidification impacts were analysed using the impact assessment method suggested by the International Reference Life Cycle Data System (ILCD). The water footprint associated to the life cycles of each system has been estimated using the Available WAter REmaining (AWARE) method. Monte Carlo simulation was used to assess data uncertainty. The irrigation of nectarine orchards using TMW performs better than the irrigation using surface water for eutrophication impact categories. Compared with surface water resources, the potential impacts of TMW reuse in agriculture on climate change and toxicity are affected by the wastewater treatment phase (WWT). Only eutrophication and acidification burdens are generated by in-field substitution of surface water with TMW. Considering human and ecosystem water demand, the irrigation with TMW increases water consumption of 19.12 m3 per kg of nectarine produced. Whereas, it shows a positive contribution to water stress (−0.19 m3) if only human water demand is considered. This study provides important results that allow for a better understanding of the potential environmental consequences of TMW reuse in agriculture. It suggests that embracing the type of WWTs, the replacement of fertilizers, the effects on water scarcity and ecosystem quality might be useful to redefine water reuse regulations and increase public acceptance for the reuse of TMW in agriculture. Moreover, this study reveals the need for developing consensus and standardized guidance for life cycle analysis of water reuse applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457725700145 Publication Date 2019-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 4.9 Times cited 4 Open Access  
  Notes ; The authors would like to thank the EU, MIUR and FNRS for funding, in the frame of the collaborative international Consortium DESERT financed under the ERA-NET WaterWorks2014 Cofunded Call. This ERA-NET is an integral part of the 2015 Joint Activities developed by the “Water Challenges for a Changing World Joint Programme Initiative (Water JPI)”. G.A. Vivaldi would like to thank also the Regione Puglia for the support from the “Fondo di Sviluppo e Coesione” 2007-2013 – APQ Ricerca Regione Puglia “Programma regionale a sostegno della specializzazione intelligente e della sostenibilita sociale ed ambientale – FutureInResearch”. ; Approved Most recent IF: 4.9  
  Call Number UA @ admin @ c:irua:156931 Serial 6227  
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C. pdf  url
doi  openurl
  Title (up) Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches Type A1 Journal article
  Year 2018 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 20 Issue 13 Pages 8456-8459  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000428779700007 Publication Date 2018-03-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 8 Open Access OpenAccess  
  Notes K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. Approved Most recent IF: 4.123  
  Call Number PLASMANT @ plasmant @c:irua:150357 Serial 4916  
Permanent link to this record
 

 
Author de Bleecker, K.; Bogaerts, A.; Goedheer, W. url  doi
openurl 
  Title (up) Modelling of nanoparticle coagulation and transport dynamics in dusty silane discharges Type A1 Journal article
  Year 2006 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 8 Issue Pages 178,1-22  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000240503300002 Publication Date 2006-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 20 Open Access  
  Notes Approved Most recent IF: 3.786; 2006 IF: 3.754  
  Call Number UA @ lucian @ c:irua:60269 Serial 2153  
Permanent link to this record
 

 
Author Wang, W.; Berthelot, A.; Zhang, Q.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results? Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 51 Issue 20 Pages 204003  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000430960600003 Publication Date 2018-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 7 Open Access OpenAccess  
  Notes We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (Grant No. G.0383.16N) and the TOP-BOF project of the University of Antwerp. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @c:irua:151292 Serial 4958  
Permanent link to this record
 

 
Author Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A. pdf  doi
openurl 
  Title (up) Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization Type A1 Journal article
  Year 2011 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 13 Issue 10 Pages 4318-4325  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Synchrotron small angle X-ray scattering (SAXS) was used to characterize silicalite-1 zeolite crystallization from TEOS/TPAOH/water clear sol. SAXS patterns were recorded over a broad range of length scales, enabling the simultaneous monitoring of nanoparticles and crystals occurring at various stages of the synthesis. A simple two-population model accurately described the patterns. Nanoparticles were modeled by polydisperse coreshell spheres and crystals by monodisperse oblate ellipsoids. These models were consistent with TEM images. The SAXS results, in conjunction with in situ light scattering, showed that nucleation of crystals occurred in a short period of time. Crystals were uniform in size and shape and became increasingly anisotropic during growth. In the presence of nanoparticles, crystal growth was fast. During crystal growth, the number of nanoparticles decreased gradually but their size was constant. These observations suggested that the nanoparticles were growth units in an aggregative crystal growth mechanism. Crystals grown in the presence of nanoparticles developed a faceted habit and intergrowths. In the final stages of growth, nanoparticles were depleted. Concurrently, the crystal growth rate decreased significantly.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000287584700017 Publication Date 2011-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 22 Open Access  
  Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 4.123; 2011 IF: 3.573  
  Call Number UA @ lucian @ c:irua:87602 Serial 2155  
Permanent link to this record
 

 
Author Van Alphen, S.; Hecimovic, A.; Kiefer, C.K.; Fantz, U.; Snyders, R.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modelling post-plasma quenching nozzles for improving the performance of CO2 microwave plasmas Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal  
  Volume 462 Issue Pages 142217  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Given the ecological problems associated to the CO2 emissions of fossil fuels, plasma technology has gained

interest for conversion of CO2 into value-added products. Microwave plasmas operating at atmospheric pressure

have proven to be especially interesting, due to the high gas temperatures inside the reactor (i.e. up to 6000 K)

allowing for efficient thermal dissociation of CO2 into CO and O2. However, the performance of these high

temperature plasmas is limited by recombination of CO back into CO2 once the gas cools down in the afterglow.

In this work, we computationally investigated several quenching nozzles, developed and experimentally tested

by Hecimovic et al., [1] for their ability to quickly cool the gas after the plasma, thereby quenching the CO

recombination reactions. Using a 3D computational fluid dynamics model and a quasi-1D chemical kinetics

model, we reveal that a reactor without nozzle lacks gas mixing between hot gas in the center and cold gas near

the reactor walls. Especially at low flow rates, where there is an inherent lack of convective cooling due to the

low gas flow velocity, the temperature in the afterglow remains high (between 2000 and 3000 K) for a relatively

long time (in the 0.1 s range). As shown by our quasi-1D chemical kinetics model, this results in a important loss

of CO due to recombination reactions. Attaching a nozzle in the effluent of the reactor induces fast gas quenching

right after the plasma. Indeed, it introduces (i) more convective cooling by forcing cool gas near the walls to mix

with hot gas in the center of the reactor, as well as (ii) more conductive cooling through the water-cooled walls of

the nozzle. Our model shows that gas quenching and the suppression of recombination reactions have more

impact at low flow rates, where recombination is the most limiting factor in the conversion process.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000962382600001 Publication Date 2023-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15.1 Times cited Open Access OpenAccess  
  Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 15.1; 2023 IF: 6.216  
  Call Number PLASMANT @ plasmant @c:irua:195889 Serial 7250  
Permanent link to this record
 

 
Author Van Alphen, S.; Hecimovic, A.; Kiefer, C.K.; Fantz, U.; Snyders, R.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modelling post-plasma quenching nozzles for improving the performance of CO2 microwave plasmas Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal  
  Volume 462 Issue Pages 142217  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Given the ecological problems associated to the CO2 emissions of fossil fuels, plasma technology has gained

interest for conversion of CO2 into value-added products. Microwave plasmas operating at atmospheric pressure

have proven to be especially interesting, due to the high gas temperatures inside the reactor (i.e. up to 6000 K)

allowing for efficient thermal dissociation of CO2 into CO and O2. However, the performance of these high

temperature plasmas is limited by recombination of CO back into CO2 once the gas cools down in the afterglow.

In this work, we computationally investigated several quenching nozzles, developed and experimentally tested

by Hecimovic et al., [1] for their ability to quickly cool the gas after the plasma, thereby quenching the CO

recombination reactions. Using a 3D computational fluid dynamics model and a quasi-1D chemical kinetics

model, we reveal that a reactor without nozzle lacks gas mixing between hot gas in the center and cold gas near

the reactor walls. Especially at low flow rates, where there is an inherent lack of convective cooling due to the

low gas flow velocity, the temperature in the afterglow remains high (between 2000 and 3000 K) for a relatively

long time (in the 0.1 s range). As shown by our quasi-1D chemical kinetics model, this results in a important loss

of CO due to recombination reactions. Attaching a nozzle in the effluent of the reactor induces fast gas quenching

right after the plasma. Indeed, it introduces (i) more convective cooling by forcing cool gas near the walls to mix

with hot gas in the center of the reactor, as well as (ii) more conductive cooling through the water-cooled walls of

the nozzle. Our model shows that gas quenching and the suppression of recombination reactions have more

impact at low flow rates, where recombination is the most limiting factor in the conversion process.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000962382600001 Publication Date 2023-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15.1 Times cited Open Access OpenAccess  
  Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 15.1; 2023 IF: 6.216  
  Call Number PLASMANT @ plasmant @c:irua:195889 Serial 7259  
Permanent link to this record
 

 
Author Morais, E.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modelling the dynamics of hydrogen synthesis from methane in nanosecond‐pulsed plasmas Type A1 Journal article
  Year 2024 Publication Plasma processes and polymers Abbreviated Journal Plasma Processes & Polymers  
  Volume 21 Issue 1 Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A chemical kinetics model was developed to characterise the gas‐phase dynamics of H<sub>2</sub>production in nanosecond‐pulsed CH<sub>4</sub>plasmas. Pulsed behaviour was observed in the calculated electric field, electron temperature and species densities at all pressures. The model agrees reasonably with experimental results, showing CH<sub>4</sub>conversion at 30% and C<sub>2</sub>H<sub>2</sub>and H<sub>2</sub>as major products. The underlying mechanisms in CH<sub>4</sub>dissociation and H<sub>2</sub>formation were analysed, highlighting the large contribution of vibrationally excited CH<sub>4</sub>and H<sub>2</sub>to coupling energy from the plasma into gas‐phase heating, and revealing that H<sub>2</sub>synthesis is not affected by applied pressure, with selectivity remaining unchanged at ~42% in the 1–5 bar range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001091258700001 Publication Date 2023-10-27  
  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 3.5 Times cited Open Access Not_Open_Access  
  Notes We gratefully acknowledge financial support by the Flemish Government through the Moonshot cSBO project “Power‐to‐Olefins” (P2O; HBC.2020.2620) and funding from the Independent Research Fund Denmark (project nr. 0217‐00231B). Approved Most recent IF: 3.5; 2024 IF: 2.846  
  Call Number PLASMANT @ plasmant @c:irua:201192 Serial 8983  
Permanent link to this record
 

 
Author Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 183 Issue 7 Pages 1663-1669  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000279711200028 Publication Date 2010-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.299; 2010 IF: 2.261  
  Call Number UA @ lucian @ c:irua:83679 Serial 2156  
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Author Chen, J.H.; van Dyck, D.; op de Beeck, M.; Broeckx, J.; van Landuyt, J. pdf  doi
openurl 
  Title (up) Modification of the multislice method for calculating coherent STEM images Type A1 Journal article
  Year 1995 Publication Physica status solidi: A: applied research Abbreviated Journal  
  Volume 150 Issue Pages 13-22  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos A1995RQ21500002 Publication Date 2007-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-8965;1521-396X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 5 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:13292 Serial 2159  
Permanent link to this record
 

 
Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. pdf  doi
openurl 
  Title (up) Modified atomic scattering amplitudes and size effects on the 002 and 220 electron structure factors of multiple Ga1-xInxAs/GaAs quantum wells Type A1 Journal article
  Year 2009 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 105 Issue 8 Pages 084310,1-084310,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The modified atomic scattering amplitudes (MASAs) of mixed Ga<sub>1-x</sub>In<sub>x</sub>As, GaAs<sub>1-x</sub>N<sub>x</sub>, and InAs<sub>1-x</sub>N<sub>x</sub> are calculated using the density functional theory approach and the results are compared with those of the binary counterparts. The MASAs of N, Ga, As, and In for various scattering vectors in various chemical environments and in the zinc-blende structure are compared with the frequently used Doyle and Turner values. Deviation from the Doyle and Turner results is found for small scattering vectors (s<0.3 Å<sup>-1</sup>) and for these scattering vectors the MASAs are found to be sensitive to the orientation of the scattering vector and on the chemical environment. The chemical environment sensitive MASAs are used within zero pressure classical Metropolis Monte Carlo, finite temperature calculations to investigate the effect of well size on the electron 002 and 220 structure factors (SFs). The implications of the use of the 002 (200) spot for the quantification of nanostructured Ga<sub>1-x</sub>In<sub>x</sub>As systems are examined while the 220 SF across the well is evaluated and is found to be very sensitive to the in-plane static displacements.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000268064700149 Publication Date 2009-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.068 Times cited Open Access  
  Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 2.068; 2009 IF: 2.072  
  Call Number UA @ lucian @ c:irua:78282 Serial 2160  
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Author Filippousi, M.; Siafaka, P.I.; Amanatiadou, E.P.; Nanaki, S.G.; Nerantzaki, M.; Bikiaris, D.N.; Vizirianakis, I.S.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry B : materials for biology and medicine Abbreviated Journal J Mater Chem B  
  Volume 3 Issue 3 Pages 5991-6000  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000358065100009 Publication Date 2015-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-750X;2050-7518; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.543 Times cited 24 Open Access  
  Notes Approved Most recent IF: 4.543; 2015 IF: 4.726  
  Call Number c:irua:127131 Serial 2161  
Permanent link to this record
 

 
Author Wang, J.; Zhang, K.; Kavak, S.; Bals, S.; Meynen, V. pdf  url
doi  openurl
  Title (up) Modifying the Stöber Process: Is the Organic Solvent Indispensable? Type A1 Journal Article
  Year 2022 Publication Chemistry-A European Journal Abbreviated Journal Chem-Eur J  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The Stöber method is one of the most important and fundamental processes for the synthesis of inorganic (nano)materials but has the drawback of using a large amount of organic solvent. Herein, ethanol was used as an example to explore if the organic solvent in a typical Stöber method can be omitted. It was found that ethanol increases the particle size of the obtained silica spheres and aids the formation of uniform silica particles rather than forming a gel. Nevertheless, the results indicated that an organic solvent in the initial synthesis mixture is not indispensable. An initially immiscible synthesis method was discovered, which can replace the organic solvent-based Stöber method to successfully synthesize silica particles with the same size ranges as the original Stöber process without addition of organic solvents. Moreover, this process can be of further value for the extension to synthesis processes of other materials based on the Stöber process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000898283500001 Publication Date 2022-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.3 Times cited 3 Open Access OpenAccess  
  Notes The authors are grateful to Alexander Vansant and Dr. Steven Mullens of VITO for their contributions to the DLS measurements in this paper. J.W acknowledges the State Scholarship funded by the China Scholarship Council (201806060123). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). S.K acknowledges the Flemish Fund for Scientific Research (FWO Flanders) through a PhD research grant (1181122N). Approved Most recent IF: 4.3  
  Call Number EMAT @ emat @c:irua:191646 Serial 7233  
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Author Privat-Maldonado, A.; Bengtson, C.; Razzokov, J.; Smits, E.; Bogaerts, A. url  doi
openurl 
  Title (up) Modifying the Tumour Microenvironment: Challenges and Future Perspectives for Anticancer Plasma Treatments Type A1 Journal article
  Year 2019 Publication Cancers Abbreviated Journal Cancers  
  Volume 11 Issue 12 Pages 1920  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)  
  Abstract Tumours are complex systems formed by cellular (malignant, immune, and endothelial cells, fibroblasts) and acellular components (extracellular matrix (ECM) constituents and secreted factors). A close interplay between these factors, collectively called the tumour microenvironment, is required to respond appropriately to external cues and to determine the treatment outcome. Cold plasma (here referred as ‘plasma’) is an emerging anticancer technology that generates a unique cocktail of reactive oxygen and nitrogen species to eliminate cancerous cells via multiple mechanisms of action. While plasma is currently regarded as a local therapy, it can also modulate the mechanisms of cell-to-cell and cell-to-ECM communication, which could facilitate the propagation of its effect in tissue and distant sites. However, it is still largely unknown how the physical interactions occurring between cells and/or the ECM in the tumour microenvironment affect the plasma therapy outcome. In this review, we discuss the effect of plasma on cell-to-cell and cell-to-ECM communication in the context of the tumour microenvironment and suggest new avenues of research to advance our knowledge in the field. Furthermore, we revise the relevant state-of-the-art in three-dimensional in vitro models that could be used to analyse cell-to-cell and cell-to-ECM communication and further strengthen our understanding of the effect of plasma in solid tumours.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000507382100097 Publication Date 2019-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2072-6694 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Figure 4 was created using resources from the ‘Mind the Graph’ platform, free trial version. Spheroid image obtained in collaboration with Sander Bekeschus (INP Greifswald, Germany); organoid image kindly provided by Christophe Deben (Center for Oncological Research, University of Antwerp, Belgium). Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:164892 Serial 5437  
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Author Nayuk, R.; Zacher, D.; Schweins, R.; Wiktor, C.; Fischer, R.A.; Van Tendeloo, G.; Huber, K. pdf  doi
openurl 
  Title (up) Modulated formation of MOF-5 nanoparticles : a SANS analysis Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 116 Issue 10 Pages 6127-6135  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract MOF-5 nanoparticles were prepared by mixing a solution of [Zn4O(C6H5COO)(6)] with a solution of benzene-1,4-dicarboxylic acid in DMF at ambient conditions. The former species mimics as a secondary building unit (SBU), and the latter acts as linker. Mixing of the two solutions induced the formation of MOF-5 nanoparticles in dilute suspension. The applied conditions were identified as suitable for a closer investigation of the particle formation process by combined light and small angle neutron scattering (SANS). Scattering analysis revealed a significant impact of the molar ratio of the two components in the reaction mixture. Excessive use of the building unit slowed down the process. A similar effect was observed upon addition of 4n-decylbenzoic acid, which is supposed to act as a modulator. The formation mechanism leads to initial intermediates, which turn into cubelike nanoparticles with a diameter of about 60-80 nm. This initial stage is followed by an extended formation period, where nucleation proceeds over hours, leading to an increasing number of nanoparticles with the same final size of 60-80 nm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000301509600020 Publication Date 2012-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 24 Open Access  
  Notes Approved Most recent IF: 4.536; 2012 IF: 4.814  
  Call Number UA @ lucian @ c:irua:97789 Serial 2163  
Permanent link to this record
 

 
Author Sanchez-Munoz, L.; Nistor, L.; Van Tendeloo, G.; Sanz, J. pdf  doi
openurl 
  Title (up) Modulated structures in KAISi3O8: a study by high resolution electron microscopy and 29Si MAS-NMR spectroscopy Type A1 Journal article
  Year 1998 Publication Journal of electron microscopy Abbreviated Journal Microscopy-Jpn  
  Volume 47 Issue 1 Pages 17-28  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Tokyo Editor  
  Language Wos 000073247300003 Publication Date 2012-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-0744;1477-9986; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.9 Times cited 10 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:25661 Serial 2166  
Permanent link to this record
 

 
Author Shaw, P.; Kumar, N.; Sahun, M.; Smits, E.; Bogaerts, A.; Privat-Maldonado, A. url  doi
openurl 
  Title (up) Modulating the Antioxidant Response for Better Oxidative Stress-Inducing Therapies: How to Take Advantage of Two Sides of the Same Medal? Type A1 Journal article
  Year 2022 Publication Biomedicines Abbreviated Journal Biomedicines  
  Volume 10 Issue 4 Pages 823  
  Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)  
  Abstract Oxidative stress-inducing therapies are characterized as a specific treatment that involves the production of reactive oxygen and nitrogen species (RONS) by external or internal sources. To protect cells against oxidative stress, cells have evolved a strong antioxidant defense system to either prevent RONS formation or scavenge them. The maintenance of the redox balance ensures signal transduction, development, cell proliferation, regulation of the mechanisms of cell death, among others. Oxidative stress can beneficially be used to treat several diseases such as neurodegenerative disorders, heart disease, cancer, and other diseases by regulating the antioxidant system. Understanding the mechanisms of various endogenous antioxidant systems can increase the therapeutic efficacy of oxidative stress-based therapies, leading to clinical success in medical treatment. This review deals with the recent novel findings of various cellular endogenous antioxidant responses behind oxidative stress, highlighting their implication in various human diseases, such as ulcers, skin pathologies, oncology, and viral infections such as SARS-CoV-2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000785420400001 Publication Date 2022-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2227-9059 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Science and Engineering Research Board (SERB), Core Research Grant, Department of Science and Technology, India., (CRG/2021/001935) ; Department of Biotechnology, BT/RLF/Re-entry/27/2019 ; We are grateful to Charlotta Bengtson for her valuable input. Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:187931 Serial 7051  
Permanent link to this record
 

 
Author Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M. url  doi
openurl 
  Title (up) Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure Type A1 Journal article
  Year 2020 Publication New Journal Of Chemistry Abbreviated Journal New J Chem  
  Volume 44 Issue 36 Pages 15785-15792  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this work, we investigated systematically the electronic and optical properties of B doped C3N monolayers as well as B and N doped graphene bilayers (BN-Gr@2L). We found that the doping of B atoms leads to an enlarged band gap of the C3N monolayer and when the dopant concentration reaches 12.5%, an indirect-to-direct band gap switching occurs. In addition, with co-doping of B and N atoms on the graphene monolayer in the hexagonal configuration, an electronic transition from semi-metal to semiconductor occurs. Our optical results for B-C3N show a broad absorption spectrum in a wide visible range starting from 400 nm to 1000 nm with strong absorption intensity, making it a suitable candidate for nanoelectronic and optoelectronic applications. Interestingly, a transition from semi-metal to semiconductor emerges in the graphene monolayer with doping of B and N atoms. Furthermore, our results demonstrate that the in-plane strain and out-of-plane strain (pressure) can modulate the band gap of the BN-Gr@2L. The controllable electronic properties and optical features of the doped graphene bilayer by strain engineering may facilitate their practical performance for various applications in future.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000571972400054 Publication Date 2020-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.3 Times cited 7 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; Approved Most recent IF: 3.3; 2020 IF: 3.269  
  Call Number UA @ admin @ c:irua:171936 Serial 6561  
Permanent link to this record
 

 
Author Cánovas, R.; Blondeau, P.; Andrade, F.J. doi  openurl
  Title (up) Modulating the mixed potential for developing biosensors: Direct potentiometric determination of glucose in whole, undiluted blood Type A1 Journal article
  Year 2020 Publication Biosensors & Bioelectronics Abbreviated Journal Biosens Bioelectron  
  Volume 163 Issue Pages 112302-112306  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The growing demand for tools to generate chemical information in decentralized settings is creating a vast range of opportunities for potentiometric sensors, since their combination of robustness, simplicity of operation and cost can hardly be rivalled by any other technique. In previous works, we have shown that the mixed potential of a Pt electrode can be controlled with analytical purposes using a coating of Nafion, thus providing a way to develop a potentiometric biosensor for glucose. Unfortunately, the linear range of this device did not match the relevant clinical range for glucose in blood. This work presents a novel strategy to control the mixed potential that allows the development of a potentiometric biosensor for the direct detection of glucose in whole, undiluted blood without any sample pretreatment. By changing the ionomer, the analytical response can be tuned, shifting the linear range while keeping the sensitivity. Aquivion, a polyelectrolyte from the same family as Nafion, is used to stabilize the mixed potential of a platinized paper-based electrode, to entrap the enzyme and to reduce the interference from negatively charged species. Factors affecting the generation of the signal and the principle of detection are discussed. Optimization of the biosensor composition was achieved with particular focus on the characterization of the linear range and sensitivity. The accurate measurement of blood sugar levels in a single drop of whole blood with excellent recovery is presented.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0956-5663 ISBN Additional Links UA library record  
  Impact Factor 12.6 Times cited Open Access  
  Notes Approved Most recent IF: 12.6; 2020 IF: 7.78  
  Call Number UA @ admin @ c:irua:184382 Serial 8271  
Permanent link to this record
 

 
Author Musolino, N.; Bals, S.; Van Tendeloo, G.; Clayton, N.; Walker, E.; Flükiger, R. doi  openurl
  Title (up) Modulation-free phase in heavily Pb-doped (Bi,Pb)2212 crystals Type A1 Journal article
  Year 2003 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 399 Issue 1/2 Pages 1-7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report the complete disappearance of the structural modulation in heavily lead-doped Bi2-xPbxSr2CaCu2O8+delta crystals observed by transmission electron microscopy. Crystals with a nominal lead content of x = 0.8, corresponding to an effective lead content of x = 0.39, yield the non-modulated phase. The superconducting properties of this modulation-free phase (beta phase) have been studied and compared to those of undoped crystals displaying the modulated phase (alpha phase). Magnetisation measurements reveal that the irreversibility field H-irr(T) and relaxation rates are strongly improved within the beta phase. Measurements of the lower critical field, H-c1, show that the anisotropy factor, epsilon, is considerably reduced in the modulation-free crystals. This is the signature of stronger coupling between CuO2 layers which in turn deeply influences the effectiveness of the pinning. These measurements explain the enhanced pinning properties in moderately Pb-doped crystals in which the alpha phase and beta phase coexist. The enhanced pinning is not only due to the alpha/beta interfaces, which act as effective pinning centers: the emergence of modulation-free domains, characterized by a strongly reduced anisotropy, also significantly contribute to this effect. (C) 2003 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000186526200001 Publication Date 2003-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 31 Open Access  
  Notes Approved Most recent IF: 1.404; 2003 IF: 1.192  
  Call Number UA @ lucian @ c:irua:54797 Serial 2167  
Permanent link to this record
 

 
Author Schouteden, K.; Li, Z.; Chen, T.; Song, F.; Partoens, B.; Van Haesendonck, C.; Park, K. url  doi
openurl 
  Title (up) Moire superlattices at the topological insulator Bi2Te3 Type A1 Journal article
  Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 6 Issue 6 Pages 20278  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report on the observation of complex superlattices at the surface of the topological insulator Bi2Te3. Scanning tunneling microscopy reveals the existence of two different periodic structures in addition to the Bi2Te3 atomic lattice, which is found to strongly affect the local electronic structure. These three different periodicities are interpreted to result from a single small in-plane rotation of the topmost quintuple layer only. Density functional theory calculations support the observed increase in the DOS near the Fermi level, and exclude the possibility that strain is at the origin of the observed Moire pattern. Exploration of Moire superlattices formed by the quintuple layers of topological insulators holds great potential for further tuning of the properties of topological insulators.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000369543200001 Publication Date 2016-02-08  
  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 14 Open Access  
  Notes ; The research in Leuven and Antwerp has been supported by the Research Foundation – Flanders (FWO, Belgium). The research in Leuven received additional support from the Flemish Concerted Research Action program (BOF KU Leuven, Project No. GOA/14/007). Z.L. thanks the China Scholarship Council for financial support (No. 2011624021). K.S. acknowledges support from the FWO. K.P. was supported by U.S. National Science Foundation DMR-1206354 and San Diego Supercomputer Center (SDSC) Trestles under DMR060009N. T.C. and F.S. acknowledge the financial support of the National Key Projects for Basic Research of China (Grant Nos: 2013CB922103), the National Natural Science Foundation of China (Grant Nos: 91421109, 11522432), the PAPD project, and the Natural Science Foundation of Jiangsu Province (Grant BK20130054). ; Approved Most recent IF: 4.259  
  Call Number UA @ lucian @ c:irua:131612 Serial 4208  
Permanent link to this record
 

 
Author Stefaniak, E.A.; Worobiec, A.; Potgieter-Vermaak, S.; Alsecz, A.; Török, S.; Van Grieken, R. doi  openurl
  Title (up) Molecular and elemental characterisation of mineral particles by means of parallel micro-Raman spectrometry and Scanning Electron Microscopy/Energy Dispersive X-ray Analysis Type A1 Journal article
  Year 2006 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal  
  Volume 61 Issue 7 Pages 824-830  
  Keywords A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000240393800008 Publication Date 2006-07-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; 1873-3565 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:58917 Serial 8272  
Permanent link to this record
 

 
Author Verbist, K.; Milat, O.; Van Tendeloo, G.; Arrouy, F.; Williams, E.J.; Rossel, C.; Machler, E.; Locquet, J.-P. openurl 
  Title (up) Molecular beam epitaxy and microstructural study of La2-xSr1+xCu2O6+y thin films Type A1 Journal article
  Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 56 Issue 2 Pages 853-861  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1997XL82700052 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 2 Open Access  
  Notes Approved Most recent IF: 3.836; 1997 IF: NA  
  Call Number UA @ lucian @ c:irua:21441 Serial 2168  
Permanent link to this record
 

 
Author Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M. url  doi
openurl 
  Title (up) Molecular collapse in graphene: Sublattice symmetry effect Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 102 Issue 6 Pages 064108-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000562320700002 Publication Date 2020-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 3 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:172065 Serial 6562  
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Author Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. pdf  doi
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  Title (up) Molecular collapse in monolayer graphene Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 4 Pages 045047  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487692200003 Publication Date 2019-08-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited 10 Open Access  
  Notes ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:163756 Serial 5422  
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