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Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. |
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Title |
Multi-level molecular modelling for plasma medicine |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
054002 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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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Wos |
000368944100003 |
Publication Date |
2015-12-16 |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
11 |
Open Access |
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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 |
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Call Number |
c:irua:131571 |
Serial |
3985 |
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Permanent link to this record |
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Author |
Kozák, T.; Vlček, J. |
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Title |
A parametric model for reactive high-power impulse magnetron sputtering of films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
055202 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
We present a time-dependent parametric model for reactive HiPIMS deposition of films. Specific features of HiPIMS discharges and a possible increase in the density of the reactive gas in front of the reactive gas inlets placed between the target and the substrate are considered in the model. The model makes it possible to calculate the compound fractions in two target layers and in one substrate layer, and the deposition rate of films at fixed partial pressures of the reactive and inert gas. A simplified relation for the deposition rate of films prepared using a reactive HiPIMS is presented. We used the model to simulate controlled reactive HiPIMS depositions of stoichiometric ZrO2 films, which were recently carried out in our laboratories with two different configurations of the O2 inlets in front of the sputtered target. The repetition frequency was 500 Hz at the deposition-averaged target power densities of 5 Wcm−2 and 50 Wcm−2 with a pulse-averaged target power density up to 2 kWcm−2. The pulse durations were 50 μs and 200 μs. Our model calculations show that the to-substrate O2 inlet provides systematically lower compound fractions in the target surface layer and higher compound fractions in the substrate surface layer, compared with the to-target O2 inlet. The low compound fractions in the target surface layer (being approximately 10% at the depositionaveraged target power density of 50 Wcm−2 and the pulse duration of 200 μs) result in high deposition rates of the films produced, which are in agreement with experimental values. |
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Wos |
000368944100016 |
Publication Date |
2015-12-16 |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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Notes |
This work was supported by the Czech Science Foundation under Project No. GA14–03875S |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ |
Serial |
3994 |
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Author |
Tinck, S.; Bogaerts, A. |
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Title |
Computational study of the CF4 /CHF3 / H2 /Cl2 /O2 /HBr gas phase plasma chemistry |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
195203 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A modelling study is performed of high-density low-pressure inductively coupled CF4/CHF3/H2/Cl2/O2/HBr plasmas under different gas mixing ratios. A reaction set describing the complete plasma chemistry is presented and discussed. The gas fraction of each component in this mixture is varied to investigate the sensitivity of the plasma properties, like electron density, plasma potential and species densities, towards the gas mixing ratios. This research is of great interest for microelectronics applications because these gases are often combined in two (or more)-component mixtures, and mixing gases or changing the fraction of a gas can sometimes yield unwanted reaction products or unexpected changes in the overall plasma properties due to the increased chemical complexity of the system. Increasing the CF4 fraction produces more F atoms for chemical etching as expected, but also more prominently lowers the density of Cl atoms, resulting in an actual drop in the etch rate under certain conditions. Furthermore, CF4 decreases the free electron density when mixed with Cl2. However, depending on the other gas components, CF4 gas can also sometimes enhance free electron density. This is the case when HBr is added to the mixture. The addition of H2 to the gas mixture will lower the sputtering process, not only due to the lower overall positive ion density at higher H2 fractions, but also because more H+, H2 + and H3 + are present and they have very low sputter yields. In contrast, a larger Cl2 fraction results in more chemical etching but also in less physical sputtering due to a smaller abundance of positive ions. Increasing the O2 fraction in the plasma will always lower the etch rate due to more oxidation of the wafer surface and due to a lower plasma density. However, it is also observed that the density of F atoms can actually increase with rising O2 gas fraction. This is relevant to note because the exact balance between fluorination and oxidation is important for fine-tuning the overall etch rate and for control of the sidewall profile. Finally, HBr is often used as a chemical etcher, but when mixed with F- or Cl-containing gases, HBr creates the same diluting effects as Ar or He, because a
higher fraction results in less chemical etching but more (physical) sputtering. |
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Wos |
000375255500017 |
Publication Date |
2016-04-13 |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
5 |
Open Access |
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Notes |
We acknowledge the Fund for Scientific Research Flanders (FWO) for financial support of this work. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 2.588 |
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Call Number |
c:irua:132890 |
Serial |
4062 |
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Permanent link to this record |
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Author |
Tinck, S.; Bogaerts, A. |
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Title |
Role of vibrationally excited HBr in a HBr/He inductively coupled plasma used for etching of silicon |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
245204 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this work, the role of vibrationally excited HBr (HBr(vib)) is computationally investigated for a HBr/He inductively coupled plasma applied for Si etching. It is found that at least 50% of all dissociations of HBr occur through HBr(vib). This additional dissociation pathway through HBr(vib) makes the plasma significantly more atomic. It also results in a slightly higher electron temperature (i.e. about 0.2 eV higher compared to simulation results where HBr(vib) is not included), as well as a higher gas temperature (i.e. about 50 K higher than without including HBr(vib)), due to the enhanced Franck–Condon heating through HBr(vib) dissociation,
at the conditions investigated. Most importantly, the calculated etch rate with HBr(vib) included in the model is a factor 3 higher than in the case without HBr(vib), due to the higher fluxes of etching species (i.e. H and Br), while the chemical composition of the wafer surface shows no significant difference. Our calculations clearly show the importance of including HBr(vib) for accurate modeling of HBr-containing plasmas. |
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Wos |
000377427100020 |
Publication Date |
2016-05-17 |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
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Open Access |
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Notes |
The Fund for Scientific Research Flanders (FWO) is acknowledged for financial support of this work (Grant no. 0880.212.840). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Prof. Mark Kushner is also gratefully acknowledged for the useful discussions and for providing the HPEM code. |
Approved |
Most recent IF: 2.588 |
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Call Number |
c:irua:133457 |
Serial |
4072 |
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Permanent link to this record |
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Author |
Tinck, S.; Tillocher, T.; Dussart, R.; Neyts, E.C.; Bogaerts, A. |
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Title |
Elucidating the effects of gas flow rate on an SF6inductively coupled plasma and on the silicon etch rate, by a combined experimental and theoretical investigation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
385201 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Experiments show that the etch rate of Si with SF6 inductively coupled plasma (ICP) is significantly influenced by the absolute gas flow rate in the range of 50–600 sccm, with a maximum at around 200 sccm. Therefore, we numerically investigate the effects of the gas flow rate on the bulk plasma properties and on the etch rate, to obtain more insight in the underlying reasons of this effect. A hybrid Monte Carlo—fluid model is applied to simulate an SF6 ICP. It is found that the etch rate is influenced by two simultaneous effects: (i) the residence time of the gas and (ii) the temperature profile of the plasma in the ICP volume, resulting indeed in a maximum etch rate at 200 sccm. |
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Wos |
000384095900011 |
Publication Date |
2016-08-24 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
1 |
Open Access |
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Notes |
We are very grateful to Mark Kushner for providing the computational model. The Fund for Scientific Research Flanders (FWO; grant no. 0880.212.840) is acknowledged for financial support of this work. The work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 2.588 |
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Call Number |
c:irua:134867 |
Serial |
4108 |
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Permanent link to this record |
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Author |
Ozkan, A.; Bogaerts, A.; Reniers, F. |
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Title |
Routes to increase the conversion and the energy efficiency in the splitting of CO2by a dielectric barrier discharge |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
084004 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Here, we present routes to increase CO2 conversion into CO using an atmospheric pressure dielectric-barrier discharge. The change in conversion as a function of simple plasma parameters, such as power, flow rate, but also frequency, on-and-off power pulse, thickness and the chemical nature of the dielectric, wall and gas temperature, are described. By means of an in-depth electrical characterization of the discharge (effective plasma voltage, dielectric voltage, plasma current, number and lifetime of the microdischarges), combined with infrared analysis of the walls of the reactor, optical emission spectroscopy for the gas temperature, and mass spectrometry for the CO2 conversion, we propose a global interpretation of the effect of all the experimental parameters on the conversion and efficiency of the reaction. |
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Wos |
000395400700001 |
Publication Date |
2017-01-30 |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the IAPVII/ 12, P7/34 (Interuniversity Attraction Pole) program PSIPhysical Chemistry of Plasma–Surface Interaction financially supported by the Belgian Federal Office for Science Policy (BELSPO). A Ozkan would like to thank the financial support given by the Fonds David et Alice Van Buuren. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140093 |
Serial |
4415 |
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Permanent link to this record |
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Author |
Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A. |
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Title |
Atomic scale behavior of oxygen-based radicals in water |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
11LT01 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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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Wos |
000415252400001 |
Publication Date |
2017-02-13 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
11 |
Open Access |
OpenAccess |
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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 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140845 |
Serial |
4420 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. |
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Title |
Multi-level molecular modelling for plasma medicine |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
5 |
Pages |
054002-54019 |
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Keywords |
A1 Journal article; Plasma, laser ablation and surface modeling – Antwerp (PLASMANT) |
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Place of Publication |
London |
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Publication Date |
0000-00-00 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
2.588 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:129798 |
Serial |
4467 |
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Author |
Khalilov, U.; Bogaerts, A.; Hussain, S.; Kovacevic, E.; Brault, P.; Boulmer-Leborgne, C.; Neyts, E.C. |
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Title |
Nanoscale mechanisms of CNT growth and etching in plasma environment |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
184001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma-enhanced chemical deposition (PECVD) of carbon nanotubes has already been shown to allow chirality control to some extent. In PECVD, however, etching may occur simultaneously with the growth, and the occurrence of intermediate processes further significantly complicates the growth process.
We here employ a computational approach with experimental support to study the plasma-based formation of Ni nanoclusters, Ni-catalyzed CNT growth and subsequent etching processes, in order to understand the underpinning nanoscale mechanisms. We find that hydrogen is the dominant factor in both the re-structuring of a Ni film and the subsequent appearance of Ni nanoclusters, as well as in the CNT nucleation and etching processes. The obtained results are compared with available theoretical and experimental studies and provide a deeper understanding of the occurring nanoscale mechanisms in plasma-assisted CNT nucleation and growth. |
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Wos |
000398300900001 |
Publication Date |
2017-04-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
6 |
Open Access |
OpenAccess |
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Notes |
UK gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). 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 Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof A C T van Duin for sharing the ReaxFF code. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ c:irua:141918 |
Serial |
4533 |
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Author |
Adamovich, I.; Baalrud, S.D.; Bogaerts, A.; Bruggeman, P.J.; Cappelli, M.; Colombo, V.; Czarnetzki, U.; Ebert, U.; Eden, J.G.; Favia, P.; Graves, D.B.; Hamaguchi, S.; Hieftje, G.; Hori, M.; Kaganovich, I.D.; Kortshagen, U.; Kushner, M.J.; Mason, N.J.; Mazouffre, S.; Thagard, S.M.; Metelmann, H.-R.; Mizuno, A.; Moreau, E.; Murphy, A.B.; Niemira, B.A.; Oehrlein, G.S.; Petrovic, Z.L.; Pitchford, L.C.; Pu, Y.-K.; Rauf, S.; Sakai, O.; Samukawa, S.; Starikovskaia, S.; Tennyson, J.; Terashima, K.; Turner, M.M.; van de Sanden, M.C.M.; Vardelle, A. |
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Title |
The 2017 Plasma Roadmap: Low temperature plasma science and technology |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
323001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012
consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000405553800001 |
Publication Date |
2017-07-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
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 |
246 |
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 2.588 |
|
|
Call Number |
PLASMANT @ plasmant @ c:irua:144626 |
Serial |
4629 |
|
Permanent link to this record |
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|
|
|
Author |
Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A. |
|
|
Title |
Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
51 |
Issue |
12 |
Pages |
125401 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000426378100001 |
Publication Date |
2018-02-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
OpenAccess |
|
|
Notes |
MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). |
Approved |
Most recent IF: 2.588 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:149382 |
Serial |
4811 |
|
Permanent link to this record |
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|
Author |
Wang, W.; Berthelot, A.; Zhang, Q.; Bogaerts, A. |
|
|
Title |
Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results? |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
51 |
Issue |
20 |
Pages |
204003 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000430960600003 |
Publication Date |
2018-04-25 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
OpenAccess |
|
|
Notes |
We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (Grant No. G.0383.16N) and the TOP-BOF project of the University of Antwerp. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 2.588 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:151292 |
Serial |
4958 |
|
Permanent link to this record |
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Author |
Kumar, N.; Attri, P.; Dewilde, S.; Bogaerts, A. |
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Title |
Inactivation of human pancreatic ductal adenocarcinoma with atmospheric plasma treated media and water: a comparative study |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
51 |
Issue |
25 |
Pages |
255401 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
In recent years, the interest in treating cancer cells with plasma treated media (PTM) and plasma treated water (PTW) has increased tremendously. However, the actions of PTM and PTW are still not entirely understood. For instance, it is not clear whether the action of PTM is due to a modification in proteins/amino acids after plasma treatment of the media, or due to reactive oxygen and nitrogen species (RONS) generated from the plasma, or a combination of both effects. To differentiate between the actions of RONS and modified proteins/amino acids on the treatment of cancer cells, we compared the effects of PTM and PTW on two different pancreatic ductal adenocarcinomas (MiaPaca-2, BxPc3) and pancreatic stellate cells
(PSCs) (hPSC128-SV). PSCs closely interact with cancer cells to create a tumor-promoting environment that stimulates local tumor progression and metastasis. We treated culture media and deionized water with a cold atmospheric plasma (CAP) jet, and subsequently applied this PTM/PTW at various ratios to the pancreatic cancer and PSC cell lines. We evaluated cell death, intracellular ROS concentrations and the mRNA expression profiles of four oxidative stress-related genes, i.e. Mitogen-activated protein kinase 7 (MAPK7), B-cell lymphoma 2 (BCL2), Checkpoint kinase 1 (CHEK1) and DNA damage-inducible transcript 3, also known as C/EBP homologous protein (CHOP). Our findings demonstrate that PTM and PTW have a similar efficacy to kill pancreatic cancer cells, while PTW is slightly more effective in killing PSCs, as compared to PTM. Furthermore, we observed an enhancement of the intracellular ROS concentrations in both pancreatic cancer cells and PSCs. Thus, it is likely that under our experimental conditions, the anti-cancer activity of PTM can be attributed more to the RONS present in the treated liquid, than to the modification of proteins/amino acids in the media. Furthermore, the fact that the chemo-resistant PSCs were killed by PTM/PTW may offer possibilities for new anti-cancer therapies for pancreatic cancer cells, including PSCs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000434266900001 |
Publication Date |
2018-06-04 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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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 |
6 |
Open Access |
OpenAccess |
|
|
Notes |
We gratefully acknowledge financial support from the Research Foundation—Flanders (FWO) (grant number 12J5617N) and from the European Marie Skłodowska–Curie Individual Fellowship ‘Anticancer-PAM’ within Horizon2020 (grant number 743546). We also thank Atsushi Masamune (Division of Gastroenterology, Tohoku University Graduate School of Medicine, Sendai, Miyagi Prefecture, Japan) for providing us with human PSCs (hPSC128-SV) for this study. |
Approved |
Most recent IF: 2.588 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:151962 |
Serial |
4997 |
|
Permanent link to this record |
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Author |
Razzokov, J.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Atomic scale understanding of the permeation of plasma species across native and oxidized membranes |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
51 |
Issue |
36 |
Pages |
365203 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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|
Abstract |
Cold atmospheric plasmas (CAPs) have attracted significant interest for their potential benefits in medical applications, including cancer therapy. The therapeutic effects of CAPs are related to reactive oxygen and nitrogen species (ROS and RNS) present in the plasma. The impact of ROS has been extensively studied, but the role of RNS in CAP-treatment remains poorly understood at the molecular level. Here, we investigate the permeation of RNS and ROS across native and oxidized phospholipid bilayers (PLBs) by means of computer simulations. The results reveal significantly lower free energy barriers for RNS (i.e. NO, NO2, N2O4) and O3 compared to hydrophilic ROS, such as OH, HO2 and H2O2. This suggests that the investigated RNS and O3 can permeate more easily through both native and oxidized PLBs in comparison to hydrophilic ROS, indicating their potentially important role in plasma medicine. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000441182400002 |
Publication Date |
2018-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
10 |
Open Access |
OpenAccess |
|
|
Notes |
M Y gratefully acknowledges financial support from the Research Foundation—Flanders (FWO), grant 1200216N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. RMC thanks FAPESP and CNPq for financial support (grants 2012/50680-5 and 459270/2014-1, respectively). |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:152824 |
Serial |
5005 |
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Permanent link to this record |
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Author |
Gröger, S.; Ramakers, M.; Hamme, M.; Medrano, J.A.; Bibinov, N.; Gallucci, F.; Bogaerts, A.; Awakowicz, P. |
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Title |
Characterization of a nitrogen gliding arc plasmatron using optical emission spectroscopy and high-speed camera |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
52 |
Issue |
6 |
Pages |
065201 |
|
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
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Abstract |
A gliding arc plasmatron (GAP), which is very promising for purification and gas conversion,
is characterized in nitrogen using optical emission spectroscopy and high-speed photography,
because the cross sections of electron impact excitation of N 2 are well known. The gas
temperature (of about 5500 K), the electron density (up to 1.5 × 10 15 cm −3 ) and the reduced
electric field (of about 37 Td) are determined using an absolutely calibrated intensified charge-
coupled device (ICCD) camera, equipped with an in-house made optical arrangement for
simultaneous two-wavelength diagnostics, adapted to the transient behavior of a GA channel
in turbulent gas flow. The intensities of nitrogen molecular emission bands, N 2 (C–B,0–0) as
well as N +
2 (B–X,0–0), are measured simultaneously. The electron density and the reduced
electric field are determined at a spatial resolution of 30 µm, using numerical simulation and
measured emission intensities, applying the Abel inversion of the ICCD images. The temporal
behavior of the GA plasma channel and the formation of plasma plumes are studied using a
high-speed camera. Based on the determined plasma parameters, we suggest that the plasma
plume formation is due to the magnetization of electrons in the plasma channel of the GAP by
an axial magnetic field in the plasma vortex. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000451745900001 |
Publication Date |
2018-11-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 30.11.2019
|
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|
Notes |
The authors are very grateful to Professor Kurt Behringer for the development of the program code for simulation of emis- sion spectra of nitrogen. |
Approved |
Most recent IF: 2.588 |
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|
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:155974 |
Serial |
5141 |
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Permanent link to this record |
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|
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Author |
Bogaerts, A.; Tu, X.; Whitehead, J.C.; Centi, G.; Lefferts, L.; Guaitella, O.; Azzolina-Jury, F.; Kim, H.-H.; Murphy, A.B.; Schneider, W.F.; Nozaki, T.; Hicks, J.C.; Rousseau, A.; Thevenet, F.; Khacef, A.; Carreon, M. |
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Title |
The 2020 plasma catalysis roadmap |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
53 |
Issue |
44 |
Pages |
443001 |
|
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, CH4 activation into hydrogen, higher hydrocarbons or oxygenates, and NH3 synthesis. Other applications are already more established, such as for air pollution control, e.g. volatile organic compound remediation, particulate matter and NOx removal. In addition, plasma is also very promising for catalyst synthesis and treatment. Plasma catalysis clearly has benefits over ‘conventional’ catalysis, as outlined in the Introduction. However, a better insight into the underlying physical and chemical processes is crucial. This can be obtained by experiments applying diagnostics, studying both the chemical processes at the catalyst surface and the physicochemical mechanisms of plasma-catalyst interactions, as well as by computer modeling. The key challenge is to design cost-effective, highly active and stable catalysts tailored to the plasma environment. Therefore, insight from thermal catalysis as well as electro- and photocatalysis is crucial. All these aspects are covered in this Roadmap paper, written by specialists in their field, presenting the state-of-the-art, the current and future challenges, as well as the advances in science and technology needed to meet these challenges. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000563194400001 |
Publication Date |
2020-10-28 |
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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 |
|
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ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.4 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
U.S. Department of Energy, DE-FE0031862 DE-FG02-06ER15830 ; U.S. Air Force Office of Scientific Research, FA9550-18-1-0157 ; University of Antwerp, 32249 ; JSPS KAKENSHI, JP18H01208 ; UK EPSRC Impact Acceleration Account; National Science Foundation, EEC-1647722 ; H2020 Marie Skłodowska-Curie Actions, 823745 ; Horizon 2020 Framework Programme, 810182 – SCOPE ERC Synergy pr ; This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 810182—SCOPE ERC Synergy project). |
Approved |
Most recent IF: 3.4; 2020 IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:171915 |
Serial |
6408 |
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Permanent link to this record |
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Author |
van ‘t Veer, K.; van Alphen, S.; Remy, A.; Gorbanev, Y.; De Geyter, N.; Snyders, R.; Reniers, F.; Bogaerts, A. |
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Title |
Spatially and temporally non-uniform plasmas: microdischarges from the perspective of molecules in a packed bed plasma reactor |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
54 |
Issue |
17 |
Pages |
174002 |
|
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
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Abstract |
Dielectric barrier discharges (DBDs) typically operate in the filamentary regime and thus exhibit great spatial and temporal non-uniformity. In order to optimize DBDs for various applications, such as in plasma catalysis, more fundamental insight is needed. Here, we consider how the millions of microdischarges, characteristic for a DBD, influence individual gas molecules. We use a Monte Carlo approach to determine the number of microdischarges to which a single molecule would be exposed, by means of particle tracing simulations through a full-scale packed bed DBD reactor, as well as an empty DBD reactor. We find that the fraction of microdischarges to which the molecules are exposed can be approximated as the microdischarge volume over the entire reactor gas volume. The use of this concept provides good agreement between a plasma-catalytic kinetics model and experiments for plasma-catalytic NH3 synthesis. We also show that the concept of the fraction of microdischarges indicates the efficiency by which the plasma power is transferred to the gas molecules. This generalised concept is also applicable for other spatially and temporally non-uniform plasmas. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000618776000001 |
Publication Date |
2021-04-29 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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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 |
|
Open Access |
OpenAccess |
|
|
Notes |
Excellence of Science FWO-FNRS project, FWO grant ID GoF9618n ; Flemish Government, project P2C (HBC.2019.0108) ; H2020 European Research Council, grant agreement No 810182 – SCOPE ERC Synergy pr ; This research was supported by the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No 810182—SCOPE ERC Synergy project) and by the Flemish Government through the Moonshot cSBO project P2C (HBC. 2019.0108). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. The authors would also like to thank Hamid Ahmadi Eshtehardi for discussions on the plasma-kinetic DBD model and Yannick Engelmann for discussions on the surface kinetics model. |
Approved |
Most recent IF: 2.588 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:175878 |
Serial |
6674 |
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Permanent link to this record |
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Author |
Song, C.-H.; Attri, P.; Ku, S.-K.; Han, I.; Bogaerts, A.; Choi, E.H. |
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Title |
Cocktail of reactive species generated by cold atmospheric plasma: oral administration induces non-small cell lung cancer cell death |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
54 |
Issue |
18 |
Pages |
185202 |
|
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
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Abstract |
Non-small cell lung cancer (NSCLC) is the most common type of lung cancer, with 85% of all lung cancer reported as NSCLC. Moreover, there are no effective treatments in advanced NSCLC. This study shows for the first time that oral administration of plasma-treated water (PTW) can cure advanced NSCLC. The cold plasma in water generates a cocktail of reactive species, and oral administration of this cocktail to mice showed no toxicities even at the highest dose of PTW, after a single dose and repeated doses for 28 d in mice. In vivo studies reveal that PTW showed favorable anticancer effects on chemo-resistant lung cancer, similarly to gefitinib treatment as a reference drug in a chemo-resistant NSCLC model. The anticancer activities of PTW seem to be involved in inhibiting proliferation and angiogenesis and enhancing apoptosis in the cancer cells. Interestingly, the PTW contributes to enhanced immune response and improved cachexia in the model. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000621503200001 |
Publication Date |
2021-05-06 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
National Research Foundation (NRF) of Korea, NRF-2016K1A4A3914113 ; We gratefully acknowledge financial support from the Leading Foreign Research Institute Recruitment program (Grant # NRF-2016K1A4A3914113) through the Basic Science Research Program of the National Research Foundation (NRF) of Korea and in part by Kwangwoon University. |
Approved |
Most recent IF: 2.588 |
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|
Call Number |
PLASMANT @ plasmant @c:irua:176649 |
Serial |
6747 |
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Permanent link to this record |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption |
Type |
A1 Journal Article;plasma catalysis |
|
Year |
2021 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
54 |
Issue |
39 |
Pages |
394004 |
|
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Keywords |
A1 Journal Article;plasma catalysis; vibrational nonequilibrium; dissociative chemisorption; free energy barriers; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
The rate, selectivity and efficiency of plasma-based conversion processes is strongly affected by nonequilibrium phenomena. High concentrations of vibrationally excited molecules are such a plasma-induced effect. It is frequently assumed that vibrationally excited molecules are important in plasma catalysis because their presence lowers the apparent activation energy of dissociative chemisorption reactions and thus increases the conversion rate. A detailed atomic-level understanding of vibrationally stimulated catalytic reactions in the context of plasma catalysis is however lacking. Here, we couple a recently developed statistical model of a plasma-induced vibrational nonequilibrium to molecular dynamics simulations, enhanced sampling methods, and machine learning techniques. We quantify the impact of a vibrational nonequilibrium on the dissociative chemisorption barrier of H2 and CH4 on nickel catalysts over a wide range of vibrational temperatures. We investigate the effect of surface structure and compare the role of different vibrational modes of methane in the dissociation process. For low vibrational temperatures, very high vibrational efficacies are found, and energy in bend vibrations appears to dominate the dissociation of methane. The relative impact of vibrational nonequilibrium is much higher on terrace sites than on surface steps. We then show how our simulations can help to interpret recent experimental results, and suggest new paths to a better understanding of plasma catalysis. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000674464100001 |
Publication Date |
2021-09-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, 12ZI420N ; K M B was funded as a junior postdoctoral fellow of the FWO (Research Foundation—Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. HLDA calculations were performed with a script provided by G Piccini. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:179830 |
Serial |
6808 |
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Permanent link to this record |
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Author |
Adamovich, I.; Agarwal, S.; Ahedo, E.; Alves, L.L.; Baalrud, S.; Babaeva, N.; Bogaerts, A.; Bourdon, A.; Bruggeman, P.J.; Canal, C.; Choi, E.H.; Coulombe, S.; Donkó, Z.; Graves, D.B.; Hamaguchi, S.; Hegemann, D.; Hori, M.; Kim, H.-h; Kroesen, G.M.W.; Kushner, M.J.; Laricchiuta, A.; Li, X.; Magin, T.E.; Mededovic Thagard, S.; Miller, V.; Murphy, A.B.; Oehrlein, G.S.; Puac, N.; Sankaran, R.M.; Samukawa, S.; Shiratani, M.; Šimek, M.; Tarasenko, N.; Terashima, K.; Thomas Jr, E.; Trieschmann, J.; Tsikata, S.; Turner, M.M.; van der Walt, I.J.; van de Sanden, M.C.M.; von Woedtke, T. |
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Title |
The 2022 Plasma Roadmap: low temperature plasma science and technology |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
55 |
Issue |
37 |
Pages |
373001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The 2022 Roadmap is the next update in the series of Plasma Roadmaps published by<italic>Journal of Physics</italic>D with the intent to identify important outstanding challenges in the field of low-temperature plasma (LTP) physics and technology. The format of the Roadmap is the same as the previous Roadmaps representing the visions of 41 leading experts representing 21 countries and five continents in the various sub-fields of LTP science and technology. In recognition of the evolution in the field, several new topics have been introduced or given more prominence. These new topics and emphasis highlight increased interests in plasma-enabled additive manufacturing, soft materials, electrification of chemical conversions, plasma propulsion, extreme plasma regimes, plasmas in hypersonics, data-driven plasma science and technology and the contribution of LTP to combat COVID-19. In the last few decades, LTP science and technology has made a tremendously positive impact on our society. It is our hope that this roadmap will help continue this excellent track record over the next 5–10 years. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000821410400001 |
Publication Date |
2022-09-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Grants-in-Aid for Scientific Research, 15H05736 ; FCT-Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 ; Russian Foundation for Basic Research, 20-02-00320 ; Lam Research Corporation; National Office for Research, Development, and Innovation of Hungary, K-134462 ; Czech Science Foundation, GA 18-04676S ; Japan Society for the Promotion of Science, 20H00142 ; MESTD of Republic of Serbia, 451-03-68/2021-14/200024 ; NASA; Dutch Foundation for Scientific Research; U.S. National Science Foundation, CBET 1703439 ; U.S. Department of Energy, DE-SC-0001234 ; Grantová Agentura České Republiky, GA 18-04676S ; Army Research Office, W911NF-20-1-0105 ; National Natural Science Foundation of China, 51825702 ; European Research Council, Starting Grant #259354 ; European Space Agency, GSTP ; U.S. Air Force Office of Scientific Research, FA9550-17-1-0370 ; Safran Aircraft Engines, POSEIDON ; Agence Nationale de la Recherche, ANR-16-CHIN-003–01 ; H2020 European Research Council, ERC Synergy Grant 810182 SCOPE ; JST CREST, JPMJCR19R3 ; Federal German Ministry of Education and Research, 03Z22DN11 ; National Research Foundation of Korea, 2016K1A4A3914113 ; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, 200021_169180 ; Departament d’Innovació, Universitats i Empresa, Generalitat de Catalunya, SGR2017-1165 ; Ministerio de Economía, Industria y Competitividad, Gobierno de España, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; Deutsche Forschungsgemeinschaft, 138690629 – TRR 87 ; Grant-in-Aid for Exploratory Research, 18K18753 ; |
Approved |
Most recent IF: 3.4 |
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|
Call Number |
PLASMANT @ plasmant @c:irua:189203 |
Serial |
7075 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Bultinck, E.; Kolev, I.; Schwaederlé, L.; van Aeken, K.; Buyle, G.; Depla, D. |
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Title |
Computer modelling of magnetron discharges |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
42 |
Issue |
19 |
Pages |
194018,1-194018,12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this paper, some modelling approaches to describe direct current (dc) magnetron discharges developed in our research groups will be presented, including an analytical model, Monte Carlo simulations for the electrons and for the sputtered atoms, a hybrid Monte Carlo-fluid model and particle-in-cell-Monte Carlo collision simulations. The strengths and limitations of the various modelling approaches will be explained, and some characteristic simulation results will be illustrated. Furthermore, some other simulation methods related to the magnetron device will be briefly explained, more specifically for calculating the magnetic field distribution inside the discharge, and for describing the (reactive) sputtering. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000269993100020 |
Publication Date |
2009-09-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
32 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
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Call Number |
UA @ lucian @ c:irua:78168 |
Serial |
462 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Eckert, M.; Mao, M.; Neyts, E. |
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Title |
Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
44 |
Issue |
17 |
Pages |
174030-174030,16 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this review paper, an overview is given of different modelling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modelling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e. (U)NCD and CNTs, both by mechanistic modelling and detailed atomistic simulations. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000289512700030 |
Publication Date |
2011-04-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2011 IF: 2.544 |
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Call Number |
UA @ lucian @ c:irua:88364 |
Serial |
463 |
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Permanent link to this record |
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Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. |
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Title |
Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
29 |
Pages |
293001 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000338860300001 |
Publication Date |
2014-06-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:117853 |
Serial |
472 |
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Permanent link to this record |
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Author |
Tinck, S.; Tillocher, T.; Dussart, R.; Bogaerts, A. |
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Title |
Cryogenic etching of silicon with SF6 inductively coupled plasmas: a combined modelling and experimental study |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
48 |
Issue |
48 |
Pages |
155204 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A hybrid Monte Carlofluid model is applied to simulate the wafer-temperature-dependent etching of silicon with SF6 inductively coupled plasmas (ICP). The bulk plasma within the ICP reactor volume as well as the surface reactions occurring at the wafer are self-consistently described. The calculated etch rates are validated by experiments. The calculations and experiments are performed at two different wafer temperatures, i.e. 300 and 173 K, resembling conventional etching and cryoetching, respectively. In the case of cryoetching, a physisorbed SFx layer (x = 06) is formed on the wafer, which is negligible at room temperature, because of fast thermal desorption, However, even in the case of cryoetching, this layer can easily be disintegrated by low-energy ions, so it does not affect the etch rates. In the investigated pressure range of 19 Pa, the etch rate is always slightly higher at cryogenic conditions, both in the experiments and in the model, and this could be explained in the model due to a local cooling of the gas above the wafer, making the gas denser and increasing the flux of reactive neutrals, like F and F2, towards the wafer. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000351856600009 |
Publication Date |
2015-03-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2015 IF: 2.721 |
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Call Number |
c:irua:124209 |
Serial |
551 |
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Permanent link to this record |
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Author |
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
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Title |
Densification of thin a-C: H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
39 |
Issue |
9 |
Pages |
1948-1953 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000238233900035 |
Publication Date |
2006-04-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
3 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.588; 2006 IF: 2.077 |
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Call Number |
UA @ lucian @ c:irua:57254 |
Serial |
634 |
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Permanent link to this record |
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Author |
Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Johnson, R.L.; Whelan, C.M.; Liang, D.; Van Tendeloo, G. |
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Title |
Effect of oxygen rf-plasma on electronic properties of CNTs |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
40 |
Issue |
23 |
Pages |
7379-7382 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000251797900029 |
Publication Date |
2007-11-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2007 IF: 2.200 |
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Call Number |
UA @ lucian @ c:irua:67284 |
Serial |
828 |
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Permanent link to this record |
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Author |
Bultinck, E.; Bogaerts, A. |
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Title |
The effect of the magnetic field strength on the sheath region of a dc magnetron discharge |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
41 |
Issue |
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Pages |
202007,1-5 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A 2d3v particle-in-cell/Monte Carlo collisions model was applied to study the influence of the magnetic field strength on the cathode sheath region of a direct current (dc) magnetron discharge. When applying a magnetic field of 520-730 G, the cathode sheath width decreases with magnetic field strength, whereas, if a stronger magnetic field is applied (i. e. from 730 to 2600 G), the sheath width increases. This is explained by studying the structure of the sheath in different magnetic field strengths in terms of the electron and ion densities. The consequences of sheath structure on the sputter deposition process are also investigated. It is found that the magnetic field strength can control the erosion profile and the sputter rate. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000260131700007 |
Publication Date |
2008-10-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.588 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2008 IF: 2.104 |
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Call Number |
UA @ lucian @ c:irua:70630 |
Serial |
847 |
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Permanent link to this record |
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Author |
Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. |
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Title |
Fluid modelling of an atmospheric pressure dielectric barrier discharge in cylindrical geometry |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
42 |
Issue |
20 |
Pages |
205206,1-205206,12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A numerical parameter study has been performed for a cylindrical atmospheric pressure dielectric barrier discharge (DBD) in helium with nitrogen impurities using a two-dimensional time-dependent fluid model. The calculated electric currents and gap voltages as a function of time for a given applied potential are presented, as well as the number densities of the various plasma species. This study shows that for the geometry under consideration the applied voltage parameters have a large impact on the electric current profiles and that the discharge current is always determined by the electron and ion conduction currents while the displacement current is nearly negligible. A relative broadening of the current profiles (compared with the duration of the half cycle of the applied voltage) with an increase in the applied frequency is obtained. Nearly sinusoidal current wave forms, usually typical for radio frequency DBDs, are observed while still operating at the frequencies of tens of kilohertz. For the setup under investigation, the Townsend mode of the DBD is observed in the entire range of applied voltage amplitudes and frequencies. It is shown that the average power density dissipated in the discharge increases with rising applied voltage and frequency. An increase in applied voltage frequency leads to an increase in the electron density and a decrease in electron energy, while increasing the voltage amplitude has the opposite effect. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000270563200028 |
Publication Date |
2009-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
29 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
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Call Number |
UA @ lucian @ c:irua:78202 |
Serial |
1228 |
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Permanent link to this record |
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Author |
Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
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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 |
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Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
45 |
Issue |
1 |
Pages |
015202-015202,11 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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. |
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Place of Publication |
London |
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Wos |
000298290000011 |
Publication Date |
2011-12-12 |
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ISSN |
0022-3727;1361-6463; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
57 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
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Call Number |
UA @ lucian @ c:irua:92851 |
Serial |
1230 |
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Author |
Zhang, Y.-R.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
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Title |
Fluid simulation of the phase-shift effect in hydrogen capacitively coupled plasmas: 2 : radial uniformity of the plasma characteristics |
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A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
45 |
Issue |
1 |
Pages |
015203-015203,13 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000298290000012 |
Publication Date |
2011-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
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Call Number |
UA @ lucian @ c:irua:92852 |
Serial |
1231 |
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Permanent link to this record |