Records |
Author |
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
5 |
Issue |
16 |
Pages |
7250-7255 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We investigate the theoretical possibility of single layer graphene formation on a nickel surface at different substrate temperatures under far-from-equilibrium high precursor flux conditions, employing state-of-the-art hybrid reactive molecular dynamics/uniform acceptance force bias Monte Carlo simulations. It is predicted that under these conditions, the formation of a single layer graphene-like film may proceed through a combined depositionsegregation mechanism on a nickel substrate, rather than by pure surface segregation as is typically observed for metals with high carbon solubility. At 900 K and above, nearly continuous graphene layers are obtained. These simulations suggest that single layer graphene deposition is theoretically possible on Ni under high flux conditions. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000322315600019 |
Publication Date |
2013-04-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.367; 2013 IF: 6.739 |
Call Number |
UA @ lucian @ c:irua:109249 |
Serial |
1264 |
Permanent link to this record |
|
|
|
Author |
Aerts, R.; Tu, X.; Van Gaens, W.; Whitehead, J.C.; Bogaerts, A. |
Title |
Gas purification by nonthermal plasma : a case study of ethylene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
Volume |
47 |
Issue |
12 |
Pages |
6478-6485 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The destruction of ethylene in a dielectric barrier discharge plasma is investigated by the combination of kinetic modeling and experiments, as a case study for plasma-based gas purification. The influence of the specific energy deposition on the removal efficiency and the selectivity toward CO and CO2 is studied for different concentrations of ethylene. The model allows the identication of the destruction pathway in dry and humid air. The latter is found to be mainly initiated by metastable N2 molecules, but the further destruction steps are dominated by O atoms and OH radicals. Upon increasing air humidity, the removal efficiency drops by ±15% (from 85% to 70%), but the selectivity toward CO and CO2 stays more or less constant at 60% and 22%, respectively. Beside CO and CO2, we also identified acetylene, formaldehyde, and water as byproducts of the destruction process, with concentrations of 1606 ppm, 15033 ppm, and 185 ppm in humid air (with 20% RH), respectively. Finally, we investigated the byproducts generated by the humid air discharge itself, which are the greenhouse gases O3, N2O, and the toxic gas NO2. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000320749000051 |
Publication Date |
2013-05-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-936X;1520-5851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.198 |
Times cited |
56 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.198; 2013 IF: 5.481 |
Call Number |
UA @ lucian @ c:irua:108743 |
Serial |
1319 |
Permanent link to this record |
|
|
|
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. |
Address |
|
Corporate Author |
|
Thesis |
|
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 |
Permanent link to this record |
|
|
|
Author |
Zhang, Q.-Z.; Liu, Y.-X.; Jiang, W.; Bogaerts, A.; Wang, Y.-N. |
Title |
Heating mechanism in direct current superposed single-frequency and dual-frequency capacitively coupled plasmas |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
22 |
Issue |
2 |
Pages |
025014-25018 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this work particle-in-cell/Monte Carlo collision simulations are performed to study the heating mechanism and plasma characteristics in direct current (dc) superposed radio-frequency (RF) capacitively coupled plasmas, operated both in single-frequency (SF) and dual-frequency (DF) regimes. An RF (60/2 MHz) source is applied on the bottom electrode to sustain the discharge, and a dc source is fixed on the top electrode. The heating mechanism appears to be very different in dc superposed SF and DF discharges. When only a single source of 60 MHz is applied, the plasma bulk region is reduced by the dc source, thus the ionization rate and hence the electron density decrease with rising dc voltage. However, when a DF source of 60 and 2 MHz is applied, the electron density can increase upon addition of a dc voltage, depending on the gap length and applied dc voltage. This is explained from the spatiotemporal ionization rates in the DF discharge. In fact, a completely different behavior is observed for the ionization rate in the two half-periods of the LF source. In the first LF half-period, the situation resembles the dc superposed SF discharge, and the reduced plasma bulk region due to the negative dc bias results in a very small effective discharge area and a low ionization rate. On the other hand, in the second half-period, the negative dc bias is to some extent counteracted by the LF voltage, and the sheath close to the dc electrode becomes particularly thin. Consequently, the amplitude of the high-frequency sheath oscillations at the top electrode is largely enhanced, while the LF sheath at the bottom electrode is in its expanding phase and can thus well confine the high-energy electrons. Therefore, the ionization rate increases considerably in this second LF half-period. Furthermore, in addition to the comparison between SF and DF discharges and the effect of gap length and dc voltage, the effect of secondary electrons is examined. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000317275400016 |
Publication Date |
2013-03-28 |
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 |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.302; 2013 IF: 3.056 |
Call Number |
UA @ lucian @ c:irua:106877 |
Serial |
1413 |
Permanent link to this record |
|
|
|
Author |
Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A. |
Title |
Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
Volume |
38 |
Issue |
36 |
Pages |
16098-16120 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000327904500027 |
Publication Date |
2013-10-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0360-3199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.582 |
Times cited |
40 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.582; 2013 IF: 2.930 |
Call Number |
UA @ lucian @ c:irua:111372 |
Serial |
1642 |
Permanent link to this record |
|
|
|
Author |
Van der Paal, J.; Aernouts, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
Title |
Interaction of O and OH radicals with a simple model system for lipids in the skin barrier : a reactive molecular dynamics investigation for plasma medicine |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
46 |
Issue |
39 |
Pages |
395201 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Plasma medicine has been claimed to provide a novel route to heal wounds and regenerate skin, although very little is currently known about the elementary processes taking place. We carried out a series of ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of O and OH radicals with lipids, more specifically with α-linolenic acid as a model for the free fatty acids present in the upper skin layer. Our calculations predict that the O and OH radicals most typically abstract a H atom from the fatty acids, which can lead to the formation of a conjugated double bond, but also to the incorporation of alcohol or aldehyde groups, thereby increasing the hydrophilic character of the fatty acids and changing the general lipid composition of the skin. Within the limitations of the investigated model, no formation of possibly toxic products was observed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000324810400007 |
Publication Date |
2013-09-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
36 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
Call Number |
UA @ lucian @ c:irua:109904 |
Serial |
1684 |
Permanent link to this record |
|
|
|
Author |
Van Gaens, W.; Bogaerts, A. |
Title |
Kinetic modelling for an atmospheric pressure argon plasma jet in humid air |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
46 |
Issue |
27 |
Pages |
275201-275253 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A zero-dimensional, semi-empirical model is used to describe the plasma chemistry in an argon plasma jet flowing into humid air, mimicking the experimental conditions of a setup from the Eindhoven University of Technology. The model provides species density profiles as a function of the position in the plasma jet device and effluent. A reaction chemistry set for an argon/humid air mixture is developed, which considers 84 different species and 1880 reactions. Additionally, we present a reduced chemistry set, useful for higher level computational models. Calculated species density profiles along the plasma jet are shown and the chemical pathways are explained in detail. It is demonstrated that chemically reactive H, N, O and OH radicals are formed in large quantities after the nozzle exit and H2, O2(1Δg), O3, H2O2, NO2, N2O, HNO2 and HNO3 are predominantly formed as 'long living' species. The simulations show that water clustering of positive ions is very important under these conditions. The influence of vibrational excitation on the calculated electron temperature is studied. Finally, the effect of varying gas temperature, flow speed, power density and air humidity on the chemistry is investigated. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000320854700009 |
Publication Date |
2013-06-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
115 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
Call Number |
UA @ lucian @ c:irua:108725 |
Serial |
1758 |
Permanent link to this record |
|
|
|
Author |
Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B. |
Title |
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 |
Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
Title |
New mechanism for oxidation of native silicon oxide |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
117 |
Issue |
19 |
Pages |
9819-9825 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000319649100032 |
Publication Date |
2013-04-23 |
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; 2013 IF: 4.835 |
Call Number |
UA @ lucian @ c:irua:107989 |
Serial |
2321 |
Permanent link to this record |
|
|
|
Author |
Tinck, S.; De Schepper, P.; Bogaerts, A. |
Title |
Numerical investigation of SiO2 coating deposition in wafer processing reactors with SiCl4/O2/Ar inductively coupled plasmas |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
10 |
Issue |
8 |
Pages |
714-730 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Simulations and experiments are performed to obtain a better insight in the plasma enhanced chemical vapor deposition process of SiO2 by SiCl4/O2/Ar plasmas for introducing a SiO2-like coating in wafer processing reactors. Reaction sets describing the plasma and surface chemistry of the SiCl4/O2/Ar mixture are presented. Typical calculation results include the bulk plasma characteristics, i.e., electrical properties, species densities, and information on important production and loss processes, as well as the chemical composition of the deposited coating, and the thickness uniformity of the film on all reactor surfaces. The film deposition characteristics, and the trends for varying discharge conditions, are explained based on the plasma behavior, as calculated by the model. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000327790000006 |
Publication Date |
2013-05-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2013 IF: 2.964 |
Call Number |
UA @ lucian @ c:irua:109900 |
Serial |
2397 |
Permanent link to this record |
|
|
|
Author |
Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A. |
Title |
Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
117 |
Issue |
10 |
Pages |
4957-4970 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000316308400010 |
Publication Date |
2013-02-18 |
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 |
118 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
Call Number |
UA @ lucian @ c:irua:106516 |
Serial |
2628 |
Permanent link to this record |
|
|
|
Author |
Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. |
Title |
Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
117 |
Issue |
11 |
Pages |
5993-5998 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000316773000056 |
Publication Date |
2013-02-23 |
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 |
59 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
Call Number |
UA @ lucian @ c:irua:107154 |
Serial |
2636 |
Permanent link to this record |
|
|
|
Author |
Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Title |
Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
5 |
Issue |
2 |
Pages |
719-725 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The application of coreshell SiSiO2 nanowires as nanoelectronic devices strongly depends on their structure, which is difficult to tune precisely. In this work, we investigate the formation of the coreshell nanowires at the atomic scale, by reactive molecular dynamics simulations. The occurrence of two temperature-dependent oxidation mechanisms of ultra-small diameter Si-NWs is demonstrated. We found that control over the Si-core radius and the SiOx (x ≤ 2) oxide shell is possible by tuning the growth temperature and the initial Si-NW diameter. Two different structures were obtained, i.e., ultrathin SiO2 silica nanowires at high temperature and Si core|ultrathin SiO2 silica nanowires at low temperature. The transition temperature is found to linearly decrease with the nanowire curvature. Finally, the interfacial stress is found to be responsible for self-limiting oxidation, depending on both the initial Si-NW radius and the oxide growth temperature. These novel insights allow us to gain control over the exact morphology and structure of the wires, as is needed for their application in nanoelectronics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000313426200036 |
Publication Date |
2012-11-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.367; 2013 IF: 6.739 |
Call Number |
UA @ lucian @ c:irua:102584 |
Serial |
2824 |
Permanent link to this record |
|
|
|
Author |
Autrique, D.; Gornushkin, I.; Alexiades, V.; Chen, Z.; Bogaerts, A.; Rethfeld, B. |
Title |
Revisiting the interplay between ablation, collisional, and radiative processes during ns-laser ablation |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
103 |
Issue |
17 |
Pages |
174102-174105 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A study of ns-laser ablation is presented, which focuses on the transient behavior of the physical processes that act in and above a copper sample. A dimensionless multiphase collisional radiative model describes the interplay between the ablation, collisional, and radiative mechanisms. Calculations are done for a 6 ns-Nd:YAG laser pulse operating at 532 nm and fluences up to 15 J/cm2. Temporal intensity profiles as well as transmissivities are in good agreement with experimental results. It is found that volumetric ablation mechanisms and photo-processes both play an essential role in the onset of ns-laser induced breakdown. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000326455100107 |
Publication Date |
2013-10-21 |
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 |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
Call Number |
UA @ lucian @ c:irua:110944 |
Serial |
2906 |
Permanent link to this record |
|
|
|
Author |
Autrique, D.; Clair, G.; L'Hermite, D.; Alexiades, V.; Bogaerts, A.; Rethfeld, B. |
Title |
The role of mass removal mechanisms in the onset of ns-laser induced plasma formation |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
114 |
Issue |
2 |
Pages |
023301-23310 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The present study focuses on the role of mass removal mechanisms in ns-laser ablation. A copper sample is placed in argon, initially set at standard pressure and temperature. Calculations are performed for a 6 ns laser pulse with a wavelength of 532 nm and laser fluences up to 10 J/cm2. The transient behavior in and above the copper target is described by a hydrodynamic model. Transmission profiles and ablation depths are compared with experimental results and similar trends are found. Our calculations reveal an interesting self-inhibiting mechanism: volumetric mass removal in the supercritical region triggers plasma shielding and therefore stops proceeding. This self-limiting process indicates that volumetric mass removal does not necessarily result in large ablation depths. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000321761600006 |
Publication Date |
2013-07-08 |
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 |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
Call Number |
UA @ lucian @ c:irua:109237 |
Serial |
2915 |
Permanent link to this record |
|
|
|
Author |
Zhang, S.; Van Gaens, W.; van Gessel, B.; Hofmann, S.; van Veldhuizen, E.; Bogaerts, A.; Bruggeman, P. |
Title |
Spatially resolved ozone densities and gas temperatures in a time modulated RF driven atmospheric pressure plasma jet : an analysis of the production and destruction mechanisms |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
46 |
Issue |
20 |
Pages |
205202-205212 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this work, a time modulated RF driven DBD-like atmospheric pressure plasma jet in Ar + 2%O2, operating at a time averaged power of 6.5 W is investigated. Spatially resolved ozone densities and gas temperatures are obtained by UV absorption and Rayleigh scattering, respectively. Significant gas heating in the core of the plasma up to 700 K is found and at the position of this increased gas temperature a depletion of the ozone density is found. The production and destruction reactions of O3 in the jet effluent as a function of the distance from the nozzle are obtained from a zero-dimensional chemical kinetics model in plug flow mode which considers relevant air chemistry due to air entrainment in the jet fluent. A comparison of the measurements and the models show that the depletion of O3 in the core of the plasma is mainly caused by an enhanced destruction of O3 due to a large atomic oxygen density. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000318546100008 |
Publication Date |
2013-05-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
74 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
Call Number |
UA @ lucian @ c:irua:107840 |
Serial |
3067 |
Permanent link to this record |
|
|
|
Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. |
Title |
Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
Volume |
211 |
Issue |
|
Pages |
131-136 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000320697800020 |
Publication Date |
2013-03-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0920-5861; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.636 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.636; 2013 IF: 3.309 |
Call Number |
UA @ lucian @ c:irua:108675 |
Serial |
3500 |
Permanent link to this record |
|
|
|
Author |
Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
9 |
Pages |
093043 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000309393400001 |
Publication Date |
2012-09-27 |
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 |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:101014 |
Serial |
189 |
Permanent link to this record |
|
|
|
Author |
Aghaei, M.; Lindner, H.; Bogaerts, A. |
Title |
Effect of a mass spectrometer interface on inductively coupled plasma characteristics : a computational study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
27 |
Issue |
4 |
Pages |
604-610 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
An inductively coupled plasma connected to a mass spectrometer interface (sampling cone) is computationally investigated. Typical plasma characteristics, such as gas flow velocity, plasma temperature and electron density, are calculated in two dimensions (cylindrical symmetry) and compared with and without a mass spectrometer sampling interface. The results obtained from our model compare favorably with experimental data reported in the literature. A dramatic increase in the plasma velocity is reported in the region close to the interface. Furthermore, a cooled metal interface lowers the plasma temperature and electron density on the axial channel very close to the sampling cone but the corresponding values in the off axial regions are increased. Therefore, the effect of the interface strongly depends on the measurement position. It is shown that even a small shift from the actual position of the sampler leads to a considerable change of the results. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000301496700005 |
Publication Date |
2012-02-22 |
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 |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.379; 2012 IF: 3.155 |
Call Number |
UA @ lucian @ c:irua:97386 |
Serial |
791 |
Permanent link to this record |
|
|
|
Author |
Liu, Y.-X.; Zhang, Q.-Z.; Liu, J.; Song, Y.-H.; Bogaerts, A.; Wang, Y.-N. |
Title |
Effect of bulk electric field reversal on the bounce resonance heating in dual-frequency capacitively coupled electronegative plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
101 |
Issue |
11 |
Pages |
114101 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electron bounce resonance heating (BRH) in dual-frequency capacitively coupled plasmas operated in oxygen and argon has been studied by different experimental methods. In comparison with the electropositive argon discharge, the BRH in an electronegative discharge occurs at larger electrode gaps. Kinetic particle simulations reveal that in the oxygen discharge, the bulk electric field becomes quite strong and is out of phase with the sheath field. Therefore, it retards the resonant electrons when traversing the bulk, resulting in a suppressed BRH. This effect becomes more pronounced at lower high-frequency power, when the discharge mode changes from electropositive to electronegative. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000309329300094 |
Publication Date |
2012-09-10 |
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 |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:100637 |
Serial |
802 |
Permanent link to this record |
|
|
|
Author |
Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A. |
Title |
The effect of F2 attachment by low-energy electrons on the electron behaviour in an Ar/CF4 inductively coupled plasma |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
21 |
Issue |
2 |
Pages |
025008-025008,13 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electron behaviour in an Ar/CF4 inductively coupled plasma is investigated by a Langmuir probe and a hybrid model. The simulated and measured results include electron density, temperature and electron energy distribution function for different values of Ar/CF4 ratio, coil power and gas pressure. The hybrid plasma equipment model simulations show qualitative agreement with experiment. The effect of F2 electron attachment on the electron behaviour is explored by comparing two sets of data based on different F atom boundary conditions. It is demonstrated that electron attachment at F2 molecules is responsible for the depletion of low-energy electrons, causing a density decrease as well as a temperature increase when CF4 is added to an Ar plasma. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000302779400022 |
Publication Date |
2012-03-12 |
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 |
23 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.302; 2012 IF: 2.515 |
Call Number |
UA @ lucian @ c:irua:96549 |
Serial |
841 |
Permanent link to this record |
|
|
|
Author |
Teodoru, S.; Kusano, Y.; Bogaerts, A. |
Title |
The effect of O2 in a humid O2/N2/NOx gas mixture on NOx and N2O remediation by an atmospheric pressure dielectric barrier discharge |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
9 |
Issue |
7 |
Pages |
652-689 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A numerical model for NxOy remediation in humid air plasma produced with a dielectric barrier discharge at atmospheric pressure is presented. Special emphasis is given to NO2 and N2O reduction with the decrease of O2 content in the feedstock gas. A detailed reaction mechanism including electronic and ionic processes, as well as the contribution of radicals and excited atomic/molecular species is proposed. The temporal evolution of the densities of NO, NO2 and N2O species, and some other by-products, is analyzed, and the major pathways for the NxOy remediation are discussed for one pulse. Subsequently, simulations are presented for a multi-pulses case, where three O2 contents are tested for optimization of the remediation process. It is found that when the gas mixture O2/N2/H2O/NOx has no initial O2 content, the best NOx and N2O remediation is achieved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000306279500005 |
Publication Date |
2012-03-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2012 IF: 3.730 |
Call Number |
UA @ lucian @ c:irua:100920 |
Serial |
842 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the phase-shift effect in hydrogen capacitively coupled plasmas: 1 : transient behaviour of electrodynamics and power deposition |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
45 |
Issue |
1 |
Pages |
015202-015202,11 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional self-consistent fluid model coupled with the full set of Maxwell equations is established to investigate the phase-shift effect on the transient behaviour of electrodynamics and power deposition in a hydrogen capacitively coupled plasma. The effect has been examined at 13.56 MHz and 100 MHz, respectively, because of the different phase-shift modulation when the electromagnetic effects are dominant. The results indicate that the spatiotemporal distributions of the plasma characteristics obtained for various phase-shift cases are obviously different both in shape and especially in absolute values. Indeed, when the phase difference varies from 0 to π, there is an increase in the electron flux, thus the power deposition becomes more pronounced. At the frequency of 13.56 MHz, the axial electron flux in the bulk plasma becomes uniform along the z-axis, and the radial electron flux exhibits two peaks within one period at the reverse-phase case, whereas the oscillation is less pronounced at the in-phase case. Furthermore, in the very high frequency discharge, the radial electron flux is alternately positive and negative with four peaks during one period, and the ionization mainly occurs in the sheath region, due to the prominent power deposition there at a phase difference equal to π. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000298290000011 |
Publication Date |
2011-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
57 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
Call Number |
UA @ lucian @ c:irua:92851 |
Serial |
1230 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the phase-shift effect in hydrogen capacitively coupled plasmas: 2 : radial uniformity of the plasma characteristics |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
45 |
Issue |
1 |
Pages |
015203-015203,13 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional fluid model, including the full set of Maxwell equations, has been developed and applied to investigate the effect of a phase shift between two power sources on the radial uniformity of several plasma characteristics in a hydrogen capacitively coupled plasma. This study was carried out at various frequencies in the range 13.56200 MHz. When the frequency is low, at 13.56 MHz, the plasma density is characterized by an off-axis peak when both power sources are in-phase (phgr = 0), and the best radial uniformity is obtained at phgr = π. This trend can be explained because the radial nonuniformity caused by the electrostatic edge effect can be effectively suppressed by the phase-shift effect at a phase difference equal to π. When the frequency rises to 60 MHz, the plasma density profiles shift smoothly from edge-peaked over uniform to centre-peaked as the phase difference increases, due to the pronounced standing-wave effect, and the best radial uniformity is reached at phgr = 0.3π. At a frequency of 100 MHz, a similar behaviour is observed, except that the maximum of the plasma density moves again towards the radial edge at the reverse-phase case (phgr = π), because of the dominant skin effect. When the frequency is 200 MHz, the bulk plasma density increases significantly with increasing phase-shift values, and a better uniformity is obtained at phgr = 0.4π. This is because the density in the centre increases faster than at the radial edge as the phase difference rises, due to the increasing power deposition Pz in the centre and the decreasing power density Pr at the radial edge. As the phase difference increases to π, the maximum near the radial edge becomes obvious again. This is because the skin effect has a predominant influence on the plasma density under this condition, resulting in a high density at the radial edge. Moreover, the axial ion flux increases monotonically with phase difference, and exhibits similar profiles to the plasma density. The calculation results illustrate that the radial uniformity of the various plasma characteristics is strongly dependent on the applied frequency and the phase shift between both power sources, which is important to realize, for controlling the uniformity of the plasma etch and deposition processes. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000298290000012 |
Publication Date |
2011-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
Call Number |
UA @ lucian @ c:irua:92852 |
Serial |
1231 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the phase-shift effect in Ar/CF4 capacitively coupled plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
45 |
Issue |
48 |
Pages |
485204 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional self-consistent fluid model combined with the full set of Maxwell equations is employed to investigate an Ar/CF4 capacitively coupled plasma, focusing on the phase-shift effect on the plasma characteristics at various frequencies and gas mixture ratios. When the discharge is sustained by a single frequency at 13.56 MHz in an Ar/CF4 mixture with a ratio of 0.9/0.1, no obvious difference is detected between the electron densities obtained in the so-called electrostatic model (with only the static electric fields taken into account) and the electromagnetic model (which includes the electromagnetic effects). However, as the frequency increases to 60 and 100 MHz, the difference becomes distinct, due to the significant influence of the electromagnetic effects. The phase-shift effect on the plasma radial uniformity has also been investigated in a dual frequency discharge, i.e. when the top driven source is switched on with a phase difference phiv ranging from 0 to π, in the frequency range 13.56100 MHz. At low concentration of CF4 (10%), Ar+ ions are the major positive ions in the entire range of frequencies. When the frequency is low, i.e. 13.56 MHz, the Ar+ density exhibits an off-axis peak at phiv = 0 due to the edge effect, and a better uniformity caused by the phase-shift modulation is obtained at phiv = π. At 60 MHz, the Ar+ density varies from edge-peaked at phiv = 0 to uniform (i.e. at phiv = 0.53π), and finally at phiv = π, a broad maximum is observed at the centre due to the standing-wave effect. As the frequency increases to 100 MHz, the best radial uniformity is reached at 0.25π, and the maximum moves again towards the radial wall in the reverse-phase case (phiv = π) due to the dominant skin effect. When the frequency is fixed at 100 MHz, the phase-shift control shows a different behaviour at a high concentration of CF4. For instance, the ${\rm CF}_3 |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000311148300011 |
Publication Date |
2012-11-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
Call Number |
UA @ lucian @ c:irua:101754 |
Serial |
1232 |
Permanent link to this record |
|
|
|
Author |
Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P. |
Title |
Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
209 |
Issue |
9 |
Pages |
1675-1682 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000308942100009 |
Publication Date |
2012-09-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
31 |
Open Access |
|
Notes |
M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). |
Approved |
Most recent IF: 1.775; 2012 IF: 1.469 |
Call Number |
UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 |
Serial |
1364 |
Permanent link to this record |
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|
|
Author |
Aerts, R.; Martens, T.; Bogaerts, A. |
Title |
Influence of vibrational states on CO2 splitting by dielectric barrier discharges |
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 |
44 |
Pages |
23257-23273 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, the splitting of CO2 in a pulsed plasma system, such as a dielectric barrier discharge (DBD), is evaluated from a chemical point of view by means of numerical modeling. For this purpose, a chemical reaction set of CO2 in an atmospheric pressure plasma is developed, including the vibrational states of CO2, O2, and CO. The simulated pulses are matched to the conditions of a filament (or microdischarge) and repeated with intervals of 1 μs. The influence of vibrationally excited CO2 as well as other neutral species, ions, and electrons on the CO2 splitting is discussed. Our calculations predict that the electrons have the largest contribution to the CO2 splitting at the conditions under study, by electron impact dissociation. The contribution of vibrationally excited CO2 levels in the splitting of CO2 is found be 6.4%, when only considering one microdischarge pulse and its afterglow, but it can be much higher for consecutive discharge pulses, as is typical for a filamentary DBD, when the interpulse time is short enough and accumulation effects in the vibrationally excited CO2 densities can occur. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000310769300012 |
Publication Date |
2012-10-19 |
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 |
112 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:101764 |
Serial |
1659 |
Permanent link to this record |
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|
|
Author |
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
Volume |
134 |
Issue |
2 |
Pages |
1256-1260 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000301084300086 |
Publication Date |
2011-11-30 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.858 |
Times cited |
56 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
Call Number |
UA @ lucian @ c:irua:97163 |
Serial |
1673 |
Permanent link to this record |
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|
|
Author |
Aerts, R.; Tu, X.; De Bie, C.; Whitehead, J.C.; Bogaerts, A. |
Title |
An investigation into the dominant reactions for ethylene destruction in non-thermal atmospheric plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
9 |
Issue |
10 |
Pages |
994-1000 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A crucial step, which is still not well understood in the destruction of volatile organic compounds (VOCs) with low temperature plasmas, is the initiation of the process. Here, we present a kinetic model for the destruction of ethylene in low temperature plasmas that allows us to calculate the relative importance of all plasma species and their related reactions. Modifying the ethylene concentration and/or the SED had a major impact on the relative importance of the radicals (i.e., mainly atomic oxygen) and the metastable nitrogen (i.e., more specifically N2(equation image)) in the destruction process. Our results show that the direct destruction by electron impact reactions for ethylene can be neglected; however, we can certainly not neglect the influence of N2(equation image)). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000309750300008 |
Publication Date |
2012-07-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
46 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2012 IF: 3.730 |
Call Number |
UA @ lucian @ c:irua:101765 |
Serial |
1727 |
Permanent link to this record |
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|
|
Author |
Neyts, E.; Mao, M.; Eckert, M.; Bogaerts, A. |
Title |
Modeling aspects of plasma-enhanced chemical vapor deposition of carbon-based materials |
Type |
H1 Book chapter |
Year |
2012 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
245-290 |
Keywords |
H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
CRC Press |
Place of Publication |
Boca Raton, Fla |
Editor |
|
Language |
|
Wos |
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Publication Date |
0000-00-00 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
|
ISBN |
978-1-4398-6676-4 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:107843 |
Serial |
2109 |
Permanent link to this record |