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Author | Goux, L.; Fantini, A.; Govoreanu, B.; Kar, G.; Clima, S.; Chen, Y.-Y.; Degraeve, R.; Wouters, D.J.; Pourtois, G.; Jurczak, M. | ||||
Title | Asymmetry and switching phenomenology in TiN\ (Al2O3) \ HfO2 \ Hf systems | Type | A1 Journal article | ||
Year | 2012 | Publication | ECS solid state letters | Abbreviated Journal | Ecs Solid State Lett |
Volume | 1 | Issue | 4 | Pages | 63-65 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this letter, we address the bipolar resistive switching phenomenology in scaled TiN\HfO2\Hf cells. By means of stack engineering using a thin Al2O3 layer inserted either at the TiN\HfO2 or at the Hf\HfO2 interface, we demonstrate that the reset operation takes place close to the TiNanode. Due to the increase of the oxygen-vacancy profile from the TiN to the Hf interface, the filament-confining and wide band-gap Al2O3 layer should indeed be engineered at the interface with the TiN electrode in order to further improve the switching control and to allow reaching larger state resistances. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.003204ssl] All rights reserved. | ||||
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Publisher | Electrochemical society | Place of Publication | Pennington (N.J.) | Editor | |
Language | Wos | 000318340300005 | Publication Date | 2012-08-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2162-8742;2162-8750; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.184 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 1.184; 2012 IF: NA | |||
Call Number | UA @ lucian @ c:irua:108530 | Serial | 160 | ||
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Author | Zhao, S.-X.; Zhang, Y.-R.; Gao, F.; Wang, Y.-N.; Bogaerts, A. | ||||
Title | Bulk plasma fragmentation in a C4F8 inductively coupled plasma : a hybrid modelling study | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 117 | Issue | 117 | Pages | 243303 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A hybrid model is used to investigate the fragmentation of C4F8 inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. CxFy (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C4F8 inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C4F8 reaction set used in the model. The C4F8 plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000357613900009 | Publication Date | 2015-06-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979;1089-7550; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2015 IF: 2.183 | |||
Call Number | c:irua:126477 | Serial | 261 | ||
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Author | Bogaerts, A.; Gijbels, R.; Goedheer, W. | ||||
Title | Comparison between a radio-frequency and direct current glow discharge in argon by a hybrid Monte Carlo-fluid model for electrons, argon ions and fast argon atoms | Type | A1 Journal article | ||
Year | 1999 | Publication | Spectrochimica acta: part B : atomic spectroscopy | Abbreviated Journal | Spectrochim Acta B |
Volume | 54 | Issue | 9 | Pages | 1335-1350 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000082537900007 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0584-8547; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.241 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.241; 1999 IF: 2.421 | |||
Call Number | UA @ lucian @ c:irua:24924 | Serial | 424 | ||
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Author | Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A. | ||||
Title | Computational study of plasma sustainability in radio frequency micro-discharges | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 115 | Issue | 19 | Pages | 193301-193311 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We apply an implicit particle-in-cell Monte-Carlo (PIC-MC) method to study a radio-frequency argon microdischarge at steady state in the glow discharge limit, in which the microdischarge is sustained by secondary electron emission from the electrodes. The plasma density, electron energy distribution function (EEDF), and electron temperature are calculated in a wide range of operating conditions, including driving voltage, microdischarge gap, and pressure. Also, the effect of gap size scaling (in the range of 50-1000 μm) on the plasma sustaining voltage and peak electron density at atmospheric pressure is examined, which has not been explored before. In our simulations, three different EEDFs, i.e., a so-called three temperature hybrid mode, a two temperature α mode, and a two temperature γ mode distribution, are identified at different gaps and voltages. The maximum sustaining voltage to avoid a transition from the glow mode to an arc is predicted, as well as the minimum sustaining voltage for a steady glow discharge. Our calculations elucidate that secondary electrons play an essential role in sustaining the discharge, and as a result the relationship between breakdown voltage and gap spacing is far away from the Paschen law at atmospheric pressure. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000336920200010 | Publication Date | 2014-05-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979;1089-7550; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2014 IF: 2.183 | |||
Call Number | UA @ lucian @ c:irua:116948 | Serial | 458 | ||
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Author | Tinck, S.; Bogaerts, A. | ||||
Title | Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition | Type | A1 Journal article | ||
Year | 2011 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 20 | Issue | 1 | Pages | 015008-015008,10 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this paper, an O2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al2O3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O2, while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration. | ||||
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Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000286592200009 | Publication Date | 2011-01-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 2011 IF: 2.521 | |||
Call Number | UA @ lucian @ c:irua:85285 | Serial | 467 | ||
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Author | Eckert, M.; Neyts, E.; Bogaerts, A. | ||||
Title | Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges | Type | A1 Journal article | ||
Year | 2010 | Publication | Crystal growth & design | Abbreviated Journal | Cryst Growth Des |
Volume | 10 | Issue | 9 | Pages | 4123-4134 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics−Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x ≥ 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000281353900042 | Publication Date | 2010-08-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1528-7483;1528-7505; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.055 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 4.055; 2010 IF: 4.390 | |||
Call Number | UA @ lucian @ c:irua:83696 | Serial | 694 | ||
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Author | Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G. | ||||
Title | Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 24 | Issue | 24 | Pages | 025004 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately. | ||||
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Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000356816200008 | Publication Date | 2015-01-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 2015 IF: 3.591 | |||
Call Number | c:irua:123534 | Serial | 704 | ||
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Author | Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A. | ||||
Title | Gas ratio effects on the Si etch rate and profile uniformity in an inductively coupled Ar/CF4 plasma | Type | A1 Journal article | ||
Year | 2013 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 22 | Issue | 1 | Pages | 015017-15018 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this work, a hybrid model is used to investigate the effect of different gas ratios on the Si etching and polymer film deposition characteristics in an Ar/CF4 inductively coupled plasma. The influence of the surface processes on the bulk plasma properties is studied, and also the spatial characteristics of important gas phase and etched species. The densities of F and CF2 decrease when the surface module is included in the simulations, due to the species consumption caused by etching and polymer deposition. The influence of the surface processes on the bulk plasma depends on the Ar/CF4 gas ratio. The deposited polymer becomes thicker at high CF4 content because of more abundant CFx radicals. As a result of the competition between the polymer thickness and the F flux, the etch rate first increases and then decreases upon increasing the CF4 content. The electron properties, more specifically the electron density profile, affect the Si etch characteristics substantially by determining the radical density and flux profiles. In fact, the radial profile of the etch rate is more uniform at low CF4 content since the electron density has a smooth distribution. At high CF4 content, the etch rate is less uniform with a minimum halfway along the wafer radius, because the electron density distribution is more localized. Therefore, our calculations predict that it is better to work at relatively high Ar/CF4 gas ratios, in order to obtain high etch rate and good profile uniformity for etch applications. This, in fact, corresponds to the typical experimental etch conditions in Ar/CF4 gas mixtures as found in the literature, where Ar is typically present at a much higher concentration than CF4. | ||||
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Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000314966300022 | Publication Date | 2012-12-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 2013 IF: 3.056 | |||
Call Number | UA @ lucian @ c:irua:102583 | Serial | 1320 | ||
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Author | Bogaerts, A.; Gijbels, R.; Goedheer, W. | ||||
Title | Improved hybrid Monte Carlo-fluid model for the electrical characteristics in an analytical radiofrequency glow discharge in argon | Type | A1 Journal article | ||
Year | 2001 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
Volume | 16 | Issue | Pages | 750-755 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000170034200006 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.379 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.379; 2001 IF: 3.305 | |||
Call Number | UA @ lucian @ c:irua:37249 | Serial | 1566 | ||
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Author | Okhrimovskyy, A.; Bogaerts, A.; Gijbels, R. | ||||
Title | Incorporating the gas flow in a numerical model of rf discharges in methane | Type | A1 Journal article | ||
Year | 2004 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 96 | Issue | 6 | Pages | 3070-3076 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000223720000005 | Publication Date | 2004-09-02 | |
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 | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2004 IF: 2.255 | |||
Call Number | UA @ lucian @ c:irua:48102 | Serial | 1596 | ||
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Author | Bogaerts, A.; de Bleecker, K.; Kolev, I.; Madani, M. | ||||
Title | Modeling of gas discharge plasmas: What can we learn from it? | Type | A1 Journal article | ||
Year | 2005 | Publication | Surface and coatings technology | Abbreviated Journal | Surf Coat Tech |
Volume | 200 | Issue | Pages | 62-67 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000232327800014 | Publication Date | 2005-03-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0257-8972; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.589 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 2.589; 2005 IF: 1.646 | |||
Call Number | UA @ lucian @ c:irua:53629 | Serial | 2122 | ||
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Author | Vertes, A.; Gijbels, R. | ||||
Title | Restricted energy transfer in laser desorption of high molecular weight biomolecules | Type | A1 Journal article | ||
Year | 1991 | Publication | Scanning microscopy | Abbreviated Journal | |
Volume | 5 | Issue | Pages | 317-328 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Chicago, Ill. | Editor | ||
Language | Wos | A1991GC67000003 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0891-7035 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 11 | Open Access | ||
Notes | Approved | INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # | |||
Call Number | UA @ lucian @ c:irua:705 | Serial | 2899 | ||
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Author | Fei, G.; Xue-Chun, L.; Zhao, S.-X.; You-Nian, W. | ||||
Title | Spatial variation behaviors of argon inductively coupled plasma during discharge mode transition | Type | A1 Journal article | ||
Year | 2012 | Publication | Chinese physics B | Abbreviated Journal | Chinese Phys B |
Volume | 21 | Issue | 7 | Pages | 075203 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A Langmuir probe and an ICCD are employed to study the discharge mode transition in Ar inductively coupled plasma. Electron density and plasma emission intensity are measured during the E (capacitive discharge) to H (inductive discharge) mode transitions at different pressures. It is found that plasma exists with a low electron density and a weak emission intensity in the E mode, while it has a high electron density and a strong emission intensity in the H mode. Meanwhile, the plasma emission intensity spatial (2D image) profile is symmetrical in the H mode, but the 2D image is an asymmetric profile in the E mode. Moreover, the electron density and emission intensity jump up discontinuously at high pressure, but increase almost continuously at the E to H mode transition under low pressure. | ||||
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Publisher | IOP publishing | Place of Publication | Bristol | Editor | |
Language | Wos | 000306558300058 | Publication Date | 2012-07-19 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1674-1056; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.223 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 1.223; 2012 IF: 1.148 | |||
Call Number | UA @ lucian @ c:irua:100843 | Serial | 3065 | ||
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Author | Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. | ||||
Title | Multi-level molecular modelling for plasma medicine | Type | A1 Journal article | ||
Year | 2016 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 49 | Issue | 49 | Pages | 054002 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma–biomolecule interactions. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000368944100003 | Publication Date | 2015-12-16 | |
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 | 11 | Open Access | |
Notes | This work is financially supported by the Fund for Scientific Research Flanders (FWO) and the Francqui Foundation. The calculations were carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. | Approved | Most recent IF: 2.588 | ||
Call Number | c:irua:131571 | Serial | 3985 | ||
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Author | Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Atomic scale behavior of oxygen-based radicals in water | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 50 | Issue | 50 | Pages | 11LT01 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Cold atmospheric pressure plasmas in and in contact with liquids represent a growing field of research for various applications. Understanding the interactions between the plasma generated species and the liquid is crucial. In this work we perform molecular dynamics (MD) simulations based on a quantum mechanical method, i.e. density-functional based tight-binding (DFTB), to examine the interactions of OH radicals and O atoms in bulk water. Our calculations reveal that the transport of OH radicals through water is not only governed by diffusion, but also by an equilibrium reaction of H-abstraction with water molecules. Furthermore, when two OH radicals encounter each other, they either form a stable cluster, or react, resulting in the formation of a new water molecule and an O atom. In addition, the O atoms form either oxywater (when in singlet configuration) or they remain stable in solution (when in triplet configuration), stressing the important role that O atoms can play in aqueous solution, and in contact with biomolecules. Our observations are in line with both experimental and ab initio results from the literature. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000415252400001 | Publication Date | 2017-02-13 | |
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 | 11 | Open Access | OpenAccess |
Notes | The authors thank Peter Bruggeman (University of Minnesota, USA) and Jan Benedikt (Ruhr-Universität Bochum, Germany) for the interesting discussions regarding the existence of O in aqueous solutions. Furthermore, they acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (project number G012413N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. | Approved | Most recent IF: 2.588 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140845 | Serial | 4420 | ||
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Author | Dzhurakhalov, A.A.; Atanasov, I.; Hou, M. | ||||
Title | Calculation of binary and ternary metallic immiscible clusters with icosahedral structures | Type | A1 Journal article | ||
Year | 2008 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | Issue | Pages | 115415 | ||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Recently, core-shell Ag-Co, Ag-Cu, and “onionlike” Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immiscible binary CuCo and ternary AgCuCo clusters with icosahedral structures are studied as functions of their size and composition. Clusters studied are formed by 13, 55, 147, 309, and 561 atoms corresponding to the five smallest possible closed shell icosahedral structures. An embedded atom model potential is used to describe their cohesion. Equilibrium configurations are investigated by means of Metropolis Monte Carlo free energy minimization in the (NPT) canonical ensemble. Most simulations are achieved at 10 and 300 K. The effect of temperature on segregation ordering is systematically investigated. Selected cases are used to identify the effect of size and composition on melting. In contrast with fcc clusters, homogeneous onionlike configurations of binary clusters are not predicted. When it is allowed by the composition, a complete outer shell is formed by Cu in binary Cu-Co clusters and by Ag in ternary Ag-Cu-Co clusters. Depending on temperature, Co may precipitate into decahedral groups under the Cu vertices of the icosahedra in binary clusters, while the Co-Cu configuration in ternary clusters drastically depends on the Ag coating. Despite the multicomponent character of the clusters and the immiscibility of the species forming them, for most compositions and sizes, equilibrium structures remain close to perfectly icosahedral at 10 K as well as at 300 K. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000254542800167 | Publication Date | 2008-03-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121; 1550-235x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2008 IF: 3.322 | |||
Call Number | UA @ lucian @ c:irua:104033 | Serial | 4517 | ||
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Author | Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. | ||||
Title | Investigations of discharge and post-discharge in a gliding arc: a 3D computational study | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 055017 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this study we quantitatively investigate for the first time the plasma characteristics of an argon gliding arc with a 3D model. The model is validated by comparison with available experimental data from literature and a reasonable agreement is obtained for the calculated gas temperature and electron density. A complete arc cycle is modeled from initial ignition to arc decay. We investigate how the plasma characteristics, i.e., the electron temperature, gas temperature, reduced electric field, and the densities of electrons, Ar+ and Ar2+ ions and Ar(4s) excited states, vary over one complete arc cycle, including their behavior in the discharge and post-discharge. These plasma characteristics exhibit a different evolution over one arc cycle, indicating that either the active discharge stage or the post-discharge stage can be beneficial for certain applications. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000399278100002 | Publication Date | 2017-04-05 | |
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 | 11 | Open Access | OpenAccess |
Notes | This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). SR Sun thanks the financial support from the China Scholarship Council (CSC). | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142204 | Serial | 4550 | ||
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Author | Zhang, Y.-R.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Enhancement of plasma generation in catalyst pores with different shapes | Type | A1 Journal article | ||
Year | 2018 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 27 | Issue | 5 | Pages | 055008 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma generation inside catalyst pores is of utmost importance for plasma catalysis, as the existence of plasma species inside the pores affects the active surface area of the catalyst available to the plasma species for catalytic reactions. In this paper, the electric field enhancement, and thus the plasma production inside catalyst pores with different pore shapes is studied with a two-dimensional fluid model. The results indicate that the electric field will be significantly enhanced near tip-like structures. In a conical pore with small opening, the strongest electric field appears at the opening and bottom corners of the pore, giving rise to a prominent ionization rate throughout the pore. For a cylindrical pore, the electric field is only enhanced at the bottom corners of the pore, with lower absolute value, and thus the ionization rate inside the pore is only slightly enhanced. Finally, in a conical pore with large opening, the electric field is characterized by a maximum at the bottom of the pore, yielding a similar behavior for the ionization rate. These results demonstrate that the shape of the pore has a significantly influence on the electric field enhancement, and thus modifies the plasma properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000432351700002 | Publication Date | 2018-05-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | OpenAccess |
Notes | This work was supported by the Fund for Scientific Research Flanders (FWO) (Grant No. G.0217.14N) and the Fundamental Research Funds for the Central Universities (Grant No. DUT17LK52). | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:151546 | Serial | 4998 | ||
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Author | Struyf, H.; van Vaeck, L.; Kennis, P.; Gijbels, R.; van Grieken, R. | ||||
Title | Chemical characterization of neo-ceramic powders by time-of-flight and Fourier transform laser microprobe mass spectrometry | Type | A1 Journal article | ||
Year | 1996 | Publication | Rapid communications in mass spectrometry | Abbreviated Journal | Rapid Commun Mass Sp |
Volume | 10 | Issue | 6 | Pages | 699-706 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser microprobe mass spectrometry (LMMS) aims at the identification of local organic and inorganic constituents at the surface of solids, The low mass resolution capabilities of the initially used time-of-flight (TOF) mass spectrometers have often proved to be insufficient for identification, Therefore, high mass resolution Fourier transform (ET) LMMS was developed, Neo-ceramic powders with oxide or carbide coatings were analyzed by both FT LMMS and TOF LMMS, The data are useful to compare the analytical information gained from both methods, Analytical results of these samples by electron microprobe x-ray analysis (EPXMA) and secondary ion mass spectrometry (SIMS) are discussed to assess the place of FT LMMS and TOF LMMS in the spectrum of microanalytical techniques. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1996UJ50200016 | Publication Date | 2002-09-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0951-4198;1097-0231; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.253 | Times cited | 11 | Open Access | |
Notes | Approved | ||||
Call Number | UA @ lucian @ c:irua:12363 | Serial | 346 | ||
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Author | Vandecasteele, C.; van Grieken, R.; Gijbels, R.; Speecke, A. | ||||
Title | Systematic errors in 14-MeV neutron activation analysis for oxygen : part 1 : neutron and γ-ray attenuation effects | Type | A1 Journal article | ||
Year | 1973 | Publication | Analytica chimica acta | Abbreviated Journal | Anal Chim Acta |
Volume | 64 | Issue | 2 | Pages | 187-196 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | A detailed account is given of neutron and γ-ray attenuation effects in 14-MeV neutron activation analysis of oxygen. Appropriate neutron cross-section values have been determined in two different ways and compared with literature values. It appears that the attenuation process is best described in terms of nonelastic scattering cross-sections. It is also shown that the narrow beam total γ-ray attenuation coefficients at 6 MeV, given in the literature are suitable for correction purposes if 16N γ-rays are counted with a window of 4.56.5 MeV. Attention was paid to the contribution of β-rays when the 16N activity is counted in this energy interval with a NaI(Tl) detector. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1973P353000003 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2670; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.513 | Times cited | 11 | Open Access | |
Notes | Approved | CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # | |||
Call Number | UA @ lucian @ c:irua:116363 | Serial | 3464 | ||
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Author | Liao, L.; Heylen, S.; Sree, S.P.; Vallaey, B.; Keulemans, M.; Lenaerts, S.; Roeffaers, M.B.J.; Martens, J.A. | ||||
Title | Photocatalysis assisted simultaneous carbon oxidation and NOx reduction | Type | A1 Journal article | ||
Year | 2017 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 202 | Issue | Pages | 381-387 | |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Photocatalysis assisted oxidation of carbon black was performed using TiO2 photocatalyst under UV illumination in an atmosphere with NO, O-2 and water vapor at 150 degrees C. Carbon is oxidized mainly to CO2 while NO is selectively converted to N-2. Enhanced O-2 and NO concentrations have a positive effect on the carbon oxidation rate. At a concentration of 3000 ppm NO and 13.3% O-2 in the gas phase the carbon oxidation rate reaches 2.3 mu g(carbon)/mg(TiO2) h, at a formal electron/photon quantum efficiency of 0.019. HR SEM images reveal uniform gradual reduction of the carbon particle size irrespective of the distance to TiO2 photocatalyst particles in the presence of NO, O-2 and H2O. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000388052100038 | Publication Date | 2016-09-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 11 | Open Access | |
Notes | ; This work was supported by long-term structural funding by the Flemish government (Methusalem). M. Keulemans acknowledges the agency for Innovation by Science and Technology in Flanders (IWT) for financial support (PhD. Grant). M. Roeffaers thanks the ERC for financial support (ERC Starting Grant No. 307523). ; | Approved | Most recent IF: 9.446 | ||
Call Number | UA @ admin @ c:irua:139156 | Serial | 5976 | ||
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Author | Vincze, L.; Vekemans, B.; Szalóki, I.; Janssens, K.; Van Grieken, R.; Feng, H.; Jones, K.W.; Adams, F. | ||||
Title | High-resolution X-ray fluorescence micro-tomography on single sediment particles | Type | H1 Book chapter | ||
Year | 2002 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 240-248 | ||
Keywords | H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000175177400027 | Publication Date | 2003-11-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
Impact Factor | Times cited | 11 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:39525 | Serial | 5643 | ||
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