Records |
Author |
Ben Abdallah, M.A.; Bacchi, A.; Parisini, A.; Canossa, S.; Bergamonti, L.; Balestri, D.; Kamoun, S. |
Title |
Crystal structure, vibrational, electrical, optical and DFT study of C₂H₁0N₂(IO₃)₂.HIO₃ |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Molecular Structure |
Abbreviated Journal |
J Mol Struct |
Volume |
1215 |
Issue |
|
Pages |
128254-12 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The reinvestigation of the EDA-HIO3-H2O system using a different stoichiometric ratio gives rise to a new iodate salt C2H10N2(IO3)(2 center dot)HIO3 denoted as EBIMIA. In this study, we reported the structural properties of ethylenediammonium bis iodate mono iodic acid using X-ray powder and single crystal diffraction at room temperature. The Hirshfeld and the potential energy surface analysis reveal that I center dot center dot center dot O and N-H center dot center dot center dot O are the most noticeable interactions that took place inside the crystal and contribute to the cohesion and stability of the synthesized compound. The DSC measurement shows that this iodate salt undergoes two structural phase transitions, the first occurs at T = 290 K while the second occurs at T = 363 K. However, the dielectric analysis confirms only the second transition because it lies in the studied temperature domain 338-413K. Besides, the impedance data obey a circuit model consisting of a parallel combination of a bulk resistance and CPE. The frequency dispersion of the conductivity follows Jonscher's law and the charge carrier transport may be interpreted using the correlation barrier hopping mechanism (CBH). Finally, the electronic properties and the vibrational analysis of this novel iodate salt are studied using DFT and compared to the experimental data given by the FT-IR, Raman and UV-visible spectroscopies. (C) 2020 Elsevier B.V. All rights reserved. |
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Place of Publication |
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Wos |
000537221300012 |
Publication Date |
2020-04-16 |
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 |
0022-2860 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
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Open Access |
OpenAccess |
Notes |
; The authors are grateful to Pr. Giovani Predieri, Pr. Pier Paolo Lottici, and Pr. Danilo Bersani, for their help with the vibrational measurement. Moreover, authors wish to thank, Pr. Salvatore Vantaggio and Dr. Silvio Scaravonati for their contribution in carrying out the impedance spectroscopy measurements. The authors acknowledge also the Analytical Chemistry, Cultural Heritage, Inorganic Chemistry and Crystallography Unit (SCVSA department, university of Parma, Italy) and the Tunisian Ministry of Higher Education and Scientific Research (LR11ES46) for their support. ; |
Approved |
Most recent IF: 3.8; 2020 IF: 1.753 |
Call Number |
UA @ admin @ c:irua:170148 |
Serial |
6480 |
Permanent link to this record |
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Author |
Zhang, L.; Heijkers, S.; Wang, W.; Martini, L.M.; Tosi, P.; Yang, D.; Fang, Z.; Bogaerts, A. |
Title |
Dry reforming of methane in a nanosecond repetitively pulsed discharge: chemical kinetics modeling |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
31 |
Issue |
5 |
Pages |
055014 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Nanosecond pulsed discharge plasma shows a high degree of non-equilibrium, and exhibits relatively high conversions in the dry reforming of methane. To further improve the application, a good insight of the underlying mechanisms is desired. We developed a chemical kinetics model to explore the underlying plasma chemistry in nanosecond pulsed discharge. We compared the calculated conversions and product selectivities with experimental results, and found reasonable agreement in a wide range of specific energy input. Hence, the chemical kinetics model is able to provide insight in the underlying plasma chemistry. The modeling results predict that the most important dissociation reaction of CO<sub>2</sub>and CH<sub>4</sub>is electron impact dissociation. C<sub>2</sub>H<sub>2</sub>is the most abundant hydrocarbon product, and it is mainly formed upon reaction of two CH<sub>2</sub>radicals. Furthermore, the vibrational excitation levels of CO<sub>2</sub>contribute for 85% to the total dissociation of CO<sub>2</sub>. |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000797660000001 |
Publication Date |
2022-05-01 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
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Open Access |
OpenAccess |
Notes |
China Scholarship Council; National Natural Science Foundation of China, 11965018 ; This work is supported by the National Natural Science Foundation of China (Grant Nos. 52077026, 11965018), L Zhang was also supported by the China Scholarship Council (CSC). Data availability statement The data that support the findings of this study are available upon reasonable request from the authors. |
Approved |
Most recent IF: 3.8 |
Call Number |
PLASMANT @ plasmant @c:irua:188537 |
Serial |
7069 |
Permanent link to this record |
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Author |
Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B. |
Title |
Foundations of plasma catalysis for environmental applications |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
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Issue |
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Pages |
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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 applications, but the underlying mechanisms are still far from understood. Hence, more fundamental research is needed to understand these mechanisms. This can be obtained by both modelling and experiments. This foundations paper describes the fundamental insights in plasma catalysis, as well as efforts to gain more insights by modelling and experiments. Furthermore, it discusses the state-of-the-art of the major plasma catalysis applications, as well as successes and challenges of technology transfer of these applications. |
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Place of Publication |
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Wos |
000804396200001 |
Publication Date |
2022-03-21 |
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 |
|
ISSN |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.8 |
Times cited |
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Open Access |
OpenAccess |
Notes |
H2020 Marie Skłodowska-Curie Actions, 823745 ; H2020 European Research Council, 810182 ; We acknowldege financial support 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) and the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). |
Approved |
Most recent IF: 3.8 |
Call Number |
PLASMANT @ plasmant @c:irua:188539 |
Serial |
7070 |
Permanent link to this record |
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Author |
Bissonnette-Dulude, J.; Heirman, P.; Coulombe, S.; Bogaerts, A.; Gervais, T.; Reuter, S. |
Title |
Coupling the COST reference plasma jet to a microfluidic device: a computational study |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci. Technol. |
Volume |
33 |
Issue |
1 |
Pages |
015001 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The use of microfluidic devices in the field of plasma-liquid interaction can unlock unique possibilities to investigate the effects of plasma-generated reactive species for environmental and biomedical applications. So far, very little simulation work has been performed on microfluidic devices in contact with a plasma source. We report on the modelling and computational simulation of physical and chemical processes taking place in a novel plasma-microfluidic platform. The main production and transport pathways of reactive species both in plasma and liquid are modelled by a novel modelling approach that combines 0D chemical kinetics and 2D transport mechanisms. This combined approach, applicable to systems where the transport of chemical species occurs in unidirectional flows at high Péclet numbers, decreases calculation times considerably compared to regular 2D simulations. It takes advantage of the low computational time of the 0D reaction models while providing spatial information through multiple plug-flow simulations to yield a quasi-2D model. The gas and liquid flow profiles are simulated entirely in 2D, together with the chemical reactions and transport of key chemical species. The model correctly predicts increased transport of hydrogen peroxide into the liquid when the microfluidic opening is placed inside the plasma effluent region, as opposed to inside the plasma region itself. Furthermore, the modelled hydrogen peroxide production and transport in the microfluidic liquid differs by less than 50% compared with experimental results. To explain this discrepancy, the limits of the 0D–2D combined approach are discussed. |
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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 |
001136607100001 |
Publication Date |
2024-01-01 |
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 |
|
ISSN |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
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Open Access |
Not_Open_Access |
Notes |
Natural Sciences and Engineering Research Council of Canada, RGPIN-06820 ; FWO, 1100421N ; McGill University, the TransMedTech Institute; |
Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
Call Number |
PLASMANT @ plasmant @c:irua:202783 |
Serial |
8990 |
Permanent link to this record |
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Author |
Biondo, O.; Fromentin, C.; Silva, T.; Guerra, V.; van Rooij, G.; Bogaerts, A. |
Title |
Insights into the limitations to vibrational excitation of CO2: validation of a kinetic model with pulsed glow discharge experiments |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
31 |
Issue |
7 |
Pages |
074003 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Vibrational excitation represents an efficient channel to drive the dissociation of CO<sub>2</sub>in a non-thermal plasma. Its viability is investigated in low-pressure pulsed discharges, with the intention of selectively exciting the asymmetric stretching mode, leading to stepwise excitation up to the dissociation limit of the molecule. Gas heating is crucial for the attainability of this process, since the efficiency of vibration–translation (V–T) relaxation strongly depends on temperature, creating a feedback mechanism that can ultimately thermalize the discharge. Indeed, recent experiments demonstrated that the timeframe of V–T non-equilibrium is limited to a few milliseconds at ca. 6 mbar, and shrinks to the<italic>μ</italic>s-scale at 100 mbar. With the aim of backtracking the origin of gas heating in pure CO<sub>2</sub>plasma, we perform a kinetic study to describe the energy transfers under typical non-thermal plasma conditions. The validation of our kinetic scheme with pulsed glow discharge experiments enables to depict the gas heating dynamics. In particular, we pinpoint the role of vibration–vibration–translation relaxation in redistributing the energy from asymmetric to symmetric levels of CO<sub>2</sub>, and the importance of collisional quenching of CO<sub>2</sub>electronic states in triggering the heating feedback mechanism in the sub-millisecond scale. This latter finding represents a novelty for the modelling of low-pressure pulsed discharges and we suggest that more attention should be paid to it in future studies. Additionally, O atoms convert vibrational energy into heat, speeding up the feedback loop. The efficiency of these heating pathways, even at relatively low gas temperature and pressure, underpins the lifetime of V–T non-equilibrium and suggests a redefinition of the optimal conditions to exploit the ‘ladder-climbing’ mechanism in CO<sub>2</sub>discharges. |
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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 |
000839466500001 |
Publication Date |
2022-07-01 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.8 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
Fundação para a Ciência e a Tecnologia, PLA/0076/2021 ; H2020 Marie Skłodowska-Curie Actions, 813393 ; This research was supported by the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). V Guerra and T Silva were partially funded by the Portuguese ‘FCT-Fundação para a Ciência e a Tecnologia’, under Projects UIDB/50010/2020, UIDP/50010/2020, PTDC/FISPLA/1616/2021 and EXPL/FIS-PLA/0076/2021. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.8 |
Call Number |
PLASMANT @ plasmant @c:irua:190008 |
Serial |
7106 |
Permanent link to this record |
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Author |
Van Putte, N.; Meire, P.; Seuntjens, P.; Joris, I.; Verreydt, G.; Hambsch, L.; Temmerman, S. |
Title |
Solving hindered groundwater dynamics in restored tidal marshes by creek excavation and soil amendments : a model study |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Ecological engineering: the journal of ecotechnology |
Abbreviated Journal |
Ecol Eng |
Volume |
178 |
Issue |
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Pages |
106583-15 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Ecosphere |
Abstract |
Groundwater fluxes in tidal marshes largely control key ecosystem functions and services, such as vegetation growth, soil carbon sequestration, and nutrient cycling. In tidal marshes restored on formerly embanked agricultural land, groundwater fluxes are often limited as compared to nearby natural marshes, as a result of historical agricultural soil compaction. To improve the functioning of restored tidal marshes, knowledge is needed on how much certain design options can optimize soil-groundwater interactions in future restoration projects. Based on measured data on soil properties and tidally induced groundwater dynamics, we calibrated and evaluated a 2D vertical model of a creek-marsh cross-section, accounting for both saturated and unsaturated groundwater flow and solute transport in a variably saturated groundwater flow model. We found that model simulations of common restoration practices such as soil amendments (increasing the depth of porous soil on top of the compact layer) and creek excavation (increasing the creek density) increase the soil aeration depth and time, the drainage depth and the solute flux, and decrease the residence time of solutes in the porewater. Our simulations indicate that increasing the depth to the compact layer from 20 cm to 40 cm, or increasing the creek density from 1 creek to 2 creeks along a 50 m marsh transect (while maintaining the total creek cross-sectional area), in both cases more than doubles the volume of water processed by the marsh soil. We discuss that this may stimulate nutrient cycling. As such, our study demonstrates that groundwater modelling can support the design of marsh restoration measures aiming to optimize groundwater fluxes and related ecosystem services. |
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Place of Publication |
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Wos |
000795478200005 |
Publication Date |
2022-03-05 |
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 |
0925-8574 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.8 |
Times cited |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 3.8 |
Call Number |
UA @ admin @ c:irua:186605 |
Serial |
7210 |
Permanent link to this record |
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Author |
Tennyson, J.; Mohr, S.; Hanicinec, M.; Dzarasova, A.; Smith, C.; Waddington, S.; Liu, B.; Alves, L.L.; Bartschat, K.; Bogaerts, A.; Engelmann, S.U.; Gans, T.; Gibson, A.R.; Hamaguchi, S.; Hamilton, K.R.; Hill, C.; O’Connell, D.; Rauf, S.; van ’t Veer, K.; Zatsarinny, O. |
Title |
The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Plasma Sources Science & Technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
31 |
Issue |
9 |
Pages |
095020 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The Quantemol database (QDB) provides cross sections and rates of processes important for plasma models; heavy particle collisions (chemical reactions) and electron collision processes are considered. The current version of QDB has data on 28 917 processes between 2485 distinct species plus data for surface processes. These data are available via a web interface or can be delivered directly to plasma models using an application program interface; data are available in formats suitable for direct input into a variety of popular plasma modeling codes including HPEM, COMSOL, ChemKIN, CFD-ACE+, and VisGlow. QDB provides ready assembled plasma chemistries plus the ability to build bespoke chemistries. The database also provides a Boltzmann solver for electron dynamics and a zero-dimensional model. Thesedevelopments, use cases involving O<sub>2</sub>, Ar/NF<sub>3</sub>, Ar/NF<sub>3</sub>/O<sub>2</sub>, and He/H<sub>2</sub>O/O<sub>2</sub>chemistries, and plans for the future are presented. |
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Language |
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Wos |
000895762200001 |
Publication Date |
2022-09-01 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
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Open Access |
OpenAccess |
Notes |
Engineering and Physical Sciences Research Council, EP/N509577/1 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 ; Science and Technology Facilities Council, ST/K004069/1 ; National Science Foundation, OAC-1834740 ; |
Approved |
Most recent IF: 3.8 |
Call Number |
PLASMANT @ plasmant @c:irua:192845 |
Serial |
7245 |
Permanent link to this record |
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Author |
Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. |
Title |
Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
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Volume |
32 |
Issue |
4 |
Pages |
045001-45020 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature. |
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Place of Publication |
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Wos |
000963579500001 |
Publication Date |
2023-03-23 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.8 |
Times cited |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: 3.8; 2023 IF: 3.302 |
Call Number |
UA @ admin @ c:irua:196044 |
Serial |
8397 |
Permanent link to this record |
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Author |
Tsonev, I.; Boothroyd, J.; Kolev, S.; Bogaerts, A. |
Title |
Simulation of glow and arc discharges in nitrogen: effects of the cathode emission mechanisms |
Type |
A1 Journal Article |
Year |
2023 |
Publication |
PLASMA SOURCES SCIENCE & TECHNOLOGY |
Abbreviated Journal |
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Volume |
32 |
Issue |
5 |
Pages |
054002 |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
Abstract |
Experimental evidence in the literature has shown that low-current direct current nitrogen discharges can exist in both glow and arc regimes at atmospheric pressure. However, modelling investigations of the positive column that include the influence of the cathode phenomena are scarce. In this work we developed a 2D axisymmetric model of a plasma discharge in flowing nitrogen gas, studying the influence of the two cathode emission mechanisms—thermionic field emission and secondary electron emission—on the cathode region and the positive column. We show for an inlet gas flow velocity of 1 m s<sup>−1</sup>in the current range of 80–160 mA, that the electron emission mechanism from the cathode greatly affects the size and temperature of the cathode region, but does not significantly influence the discharge column at atmospheric pressure. We also demonstrate that in the discharge column the electron density balance is local and the electron production and destruction is dominated by volume processes. With increasing flow velocity, the discharge contraction is enhanced due to the increased convective heat loss. The cross sectional area of the conductive region is strongly dependent on the gas velocity and heat conductivity of the gas. |
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Publisher |
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Place of Publication |
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Wos |
000987841800001 |
Publication Date |
2023-05-01 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
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Open Access |
Not_Open_Access |
Notes |
This research is financially supported by the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 965546. |
Approved |
Most recent IF: 3.8; 2023 IF: 3.302 |
Call Number |
PLASMANT @ plasmant @c:irua:196972 |
Serial |
8788 |
Permanent link to this record |
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Author |
Vanraes, P.; Parayil Venugopalan, S.; Besemer, M.; Bogaerts, A. |
Title |
Assessing neutral transport mechanisms in aspect ratio dependent etching by means of experiments and multiscale plasma modeling |
Type |
A1 Journal Article |
Year |
2023 |
Publication |
Plasma Sources Science and Technology |
Abbreviated Journal |
Plasma Sources Sci. Technol. |
Volume |
32 |
Issue |
6 |
Pages |
064004 |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
Abstract |
Since the onset of pattern transfer technologies for chip manufacturing, various strategies have been developed to circumvent or overcome aspect ratio dependent etching (ARDE). These methods have, however, their own limitations in terms of etch non-idealities, throughput or costs. Moreover, they have mainly been optimized for individual in-device features and die-scale patterns, while occasionally ending up with poor patterning of metrology marks, affecting the alignment and overlay in lithography. Obtaining a better understanding of the underlying mechanisms of ARDE and how to mitigate them therefore remains a relevant challenge to date, for both marks and advanced nodes. In this work, we accordingly assessed the neutral transport mechanisms in ARDE by means of experiments and multiscale modeling for SiO<sub>2</sub>etching with CHF<sub>3</sub>/Ar and CF<sub>4</sub>/Ar plasmas. The experiments revealed a local maximum in the etch rate for an aspect ratio around unity, i.e. the simultaneous occurrence of regular and inverse reactive ion etching lag for a given etch condition. We were able to reproduce this ARDE trend in the simulations without taking into account charging effects and the polymer layer thickness, suggesting shadowing and diffuse reflection of neutrals as the primary underlying mechanisms. Subsequently, we explored four methods with the simulations to regulate ARDE, by varying the incident plasma species fluxes, the amount of polymer deposition, the ion energy and angular distribution and the initial hardmask sidewall angle, for which the latter was found to be promising in particular. Although our study focusses on feature dimensions characteristic to metrology marks and back-end-of-the-line integration, the obtained insights have a broader relevance, e.g. to the patterning of advanced nodes. Additionally, this work supports the insight that physisorption may be more important in plasma etching at room temperature than originally thought, in line with other recent studies, a topic on which we recommend further research. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
001021250100001 |
Publication Date |
2023-06-01 |
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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.8 |
Times cited |
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Open Access |
Not_Open_Access |
Notes |
P Vanraes acknowledges funding by ASML for the project ‘Computational simulation of plasma etching of trench structures’. P Vanraes and A Bogaerts want to express their gratitude to Mark J Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes, and for the interesting exchange of views. P Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code and Karel Venken for his technical help with the server maintenance and use. S P Venugopalan and M Besemer wish to thank Luigi Scaccabarozzi, Sander Wuister, Coen Verschuren, Michael Kubis, Kuan-Ming Chen, Ruben Maas, Huaichen Zhang and Julien Mailfert (ASML) for the insightful discussions. |
Approved |
Most recent IF: 3.8; 2023 IF: 3.302 |
Call Number |
PLASMANT @ plasmant @c:irua:197760 |
Serial |
8811 |
Permanent link to this record |
|
|
|
Author |
Smith, G.J.; Diomede, P.; Gibson, A.R.; Doyle, S.J.; Guerra, V.; Kushner, M.J.; Gans, T.; Dedrick, J.P. |
Title |
Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
|
Volume |
33 |
Issue |
2 |
Pages |
025002-25020 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
001154851700001 |
Publication Date |
2024-01-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0963-0252 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
Call Number |
UA @ admin @ c:irua:203866 |
Serial |
9054 |
Permanent link to this record |
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|
|
Author |
Albrechts, M.; Tsonev, I.; Bogaerts, A. |
Title |
Investigation of O atom kinetics in O2plasma and its afterglow |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
Plasma Sources Science and Technology |
Abbreviated Journal |
Plasma Sources Sci. Technol. |
Volume |
33 |
Issue |
4 |
Pages |
045017 |
Keywords |
A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
Abstract |
We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate. |
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 |
001209453500001 |
Publication Date |
2024-04-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0963-0252 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.8 |
Times cited |
|
Open Access |
|
Notes |
This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491). |
Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
Call Number |
PLASMANT @ plasmant @c:irua:205920 |
Serial |
9125 |
Permanent link to this record |
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|
|
Author |
Manaigo, F.; Chatterjee, A.; Bogaerts, A.; Snyders, R. |
Title |
Insight in NO synthesis in a gliding arc plasma via gas temperature and density mapping by laser-induced fluorescence |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
Plasma Sources Science and Technology |
Abbreviated Journal |
Plasma Sources Sci. Technol. |
Volume |
33 |
Issue |
7 |
Pages |
075005 |
Keywords |
A1 Journal Article; plasma nitrogen fixation, gliding arc plasmatron, laser-induced fluorescence, afterglow rotational temperature, afterglow NO concentration; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
Abstract |
A gliding arc (GA) plasma, operating at atmospheric pressure in a gas mixture of 50% N<sub>2</sub>and 50% O<sub>2</sub>, is studied using laser-induced fluorescence spectroscopy. The main goal is to determine the two-dimensional distribution of both the gas temperature and the NO ground state density in the afterglow. As GA plasma discharges at atmospheric pressure normally produce rather high NO<sub><italic>x</italic></sub>densities, the high concentration of relevant absorbers, such as NO, may impose essential restrictions for the use of ‘classical’ laser-induced fluorescence methods (dealing with excitation in the bandhead vicinity), as the laser beam would be strongly absorbed along its propagation in the afterglow. Since this was indeed the case for the studied discharge, an approach dealing with laser-based excitation of separate rotational lines is proposed. In this case, due to a non-saturated absorption regime, simultaneous and reliable measurements of both the NO density and the gas temperature (using a reference fitting spectrum) are possible. The proposed method is applied to provide a two-dimensional map for both the NO density and the gas temperature at different plasma conditions. The results show that the input gas flow rate strongly alters the plasma shape, which appears as an elongated column at low input gas flow rate and spreads laterally as the flow rate increases. Finally, based on temperature map analysis, a clear correlation between the gas temperature and NO concentration is found. The proposed method may be interesting for the plasma-chemical analysis of discharges with high molecular production yields, where knowledge of both molecular concentration and gas temperature is required. |
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 |
|
Wos |
|
Publication Date |
2024-07-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0963-0252 |
ISBN |
|
Additional Links |
|
Impact Factor |
3.8 |
Times cited |
|
Open Access |
|
Notes |
Fonds De La Recherche Scientifique – FNRS, EOS O005118F ; |
Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
Call Number |
PLASMANT @ plasmant @ |
Serial |
9253 |
Permanent link to this record |
|
|
|
Author |
Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S. |
Title |
Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
Sci Technol Adv Mat |
Volume |
14 |
Issue |
1 |
Pages |
014206-14213 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Sendai |
Editor |
|
Language |
|
Wos |
000316463800008 |
Publication Date |
2013-03-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1468-6996;1878-5514; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.798 |
Times cited |
6 |
Open Access |
|
Notes |
Fwo; Iap; Esteem |
Approved |
Most recent IF: 3.798; 2013 IF: 2.613 |
Call Number |
UA @ lucian @ c:irua:107343 |
Serial |
77 |
Permanent link to this record |
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|
|
Author |
Park, K.; De Beule, C.; Partoens, B. |
Title |
The ageing effect in topological insulators : evolution of the surface electronic structure of Bi2Se3 upon K adsorption |
Type |
A1 Journal article |
Year |
2013 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
15 |
Issue |
|
Pages |
113031-16 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Topological insulators (TIs) have attracted a lot of interest in recent years due to their topologically protected surface states, as well as exotic proximity-induced phenomena and device applications for TI heterostructures. Since the first experimental studies of TIs, angle-resolved photoemission spectra (ARPES) showed that the electronic structure of the topological surface states significantly changes as a function of time after cleavage. The origin and underlying mechanism of this ageing effect are still under debate, despite its importance. Here we investigate the evolution of the surface Dirac cone for Bi2Se3 films upon asymmetric potassium (K) adsorption, using density-functional theory and a tight-binding model. We find that the K adatoms induce short-ranged downward band bending within 2-3 nm from the surface, due to charge transfer from the adatoms to the TI. These findings are in contrast to earlier proposals in the literature, that propose a long-ranged downward band bending up to 15 nm from the surface. Furthermore, as the charge transfer increases, we find that a new Dirac cone, localized slightly deeper into the TI than the original one, appears at the K-adsorbed surface, originating from strong Rashba-split conduction-band states. Our results suggest possible reinterpretations of experiments because the new Dirac cone might have been observed in ARPES measurements instead of the original one that appears immediately after cleavage. Our findings are consistent with ARPES data and provide insight into building TI-heterostructure devices by varying the band-bending potential or film thickness. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000326876100006 |
Publication Date |
2013-11-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
45 |
Open Access |
|
Notes |
; KP was supported by National Science Foundation grant numbers DMR-0804665 and DMR-1206354 and SDSC Trestles under DMR060009N. CDB was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.786; 2013 IF: 3.671 |
Call Number |
UA @ lucian @ c:irua:112707 |
Serial |
84 |
Permanent link to this record |
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|
Author |
Zhao, H.J.; Misko, V.R.; Peeters, F.M. |
Title |
Analysis of pattern formation in systems with competing range interactions |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
|
Pages |
063032 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyzed pattern formation and identified various morphologies in a system of particles interacting through a non-monotonic potential with a competing range interaction characterized by a repulsive core (r < r(c)) and an attractive tail (r > r(c)), using molecular-dynamics simulations. Depending on parameters, the interaction potential models the inter-particle interaction in various physical systems ranging from atoms, molecules and colloids to vortices in low kappa type-II superconductors and in recently discovered 'type-1.5' superconductors. We constructed a 'morphology diagram' in the plane 'critical radius r(c)-density n' and proposed a new approach to characterizing the different types of patterns. Namely, we elaborated a set of quantitative criteria in order to identify the different pattern types, using the radial distribution function (RDF), the local density function and the occupation factor. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000306946600003 |
Publication Date |
2012-06-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
45 |
Open Access |
|
Notes |
; We acknowledge useful discussions with Ernst Helmut Brandt, Charles Reichhardt and Cynthia Olson Reichhardt. This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:101140 |
Serial |
102 |
Permanent link to this record |
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|
Author |
Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
9 |
Pages |
093043 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000309393400001 |
Publication Date |
2012-09-27 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:101014 |
Serial |
189 |
Permanent link to this record |
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|
Author |
Yusupov, M.; Bultinck, E.; Depla, D.; Bogaerts, A. |
Title |
Behavior of electrons in a dual-magnetron sputter deposition system : a Monte Carlo model |
Type |
A1 Journal article |
Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
13 |
Issue |
|
Pages |
033018-033018,17 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A Monte Carlo model has been developed for investigating the electron behavior in a dual-magnetron sputter deposition system. To describe the three-dimensional (3D) geometry, different reference frames, i.e. a local and a global coordinate system, were used. In this study, the influence of both closed and mirror magnetic field configurations on the plasma properties is investigated. In the case of a closed magnetic field configuration, the calculated electron trajectories show that if an electron is emitted in (or near) the center of the cathode, where the influence of the magnetic field is low, it is able to travel from one magnetron to the other. On the other hand, when an electron is created at the race track area, it is more or less trapped in the strong magnetic field and cannot easily escape to the second magnetron region. In the case of a mirror magnetic field configuration, irrespective of where the electron is emitted from the cathode, it cannot travel from one magnetron to the other because the magnetic field lines guide the electron to the substrate. Moreover, the electron density and electron impact ionization rate have been calculated and studied in detail for both configurations. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
|
Wos |
000289064600001 |
Publication Date |
2011-03-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
Call Number |
UA @ lucian @ c:irua:87544 |
Serial |
224 |
Permanent link to this record |
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|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
Title |
Composite vortex ordering in superconducting films with arrays of blind holes |
Type |
A1 Journal article |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
11 |
Issue |
|
Pages |
013025,1-013025,20 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The pinning properties of a superconducting thin film with a square array of blind holes are studied using the nonlinear GinzburgLandau theory. Although blind holes provide a weaker pinning potential than holes (also called antidots), several novel vortex structures are predicted for different size and thickness of the blind holes. Orientational dimer and trimer vortex states as well as concentric vortex shells can nucleate in the blind holes. In addition, we predict the stabilization of giant vortices that may be located both in the pinning centers and/or at the interstitial sites, as well as the combination of giant vortices with sets of individual vortices. For large blind holes, local vortex shell structures inside the blind holes may transfer their symmetry to interstitial vortices as well. The subtle interplay of shell formation and traditional Abrikosov vortex lattices inside the blind holes is also studied for different numbers of trapped vortices. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
|
Wos |
000262932600002 |
Publication Date |
2009-01-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
33 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
Call Number |
UA @ lucian @ c:irua:75987 |
Serial |
441 |
Permanent link to this record |
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|
|
Author |
Becker, T.; Nelissen, K.; Cleuren, B. |
Title |
Current fluctuations in boundary driven diffusive systems in different dimensions : a numerical study |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
055023 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We use kinetic Monte Carlo simulations to investigate current fluctuations in boundary driven generalized exclusion processes, in different dimensions. Simulation results are in full agreement with predictions based on the additivity principle and the macroscopic fluctuation theory. The current statistics are independent of the shape of the contacts with the reservoirs, provided they are macroscopic in size. In general, the current distribution depends on the spatial dimension. For the special cases of the symmetric simple exclusion process and the zero-range process, the current statistics are the same for all spatial dimensions. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000355282700001 |
Publication Date |
2015-05-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
5 |
Open Access |
|
Notes |
; We thank Christian Van den Broeck for bringing this problem to our attention. We are grateful to Bart Partoens and Carlo Vanderzande for a careful reading of the manuscript. This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G038811N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:126405 |
Serial |
592 |
Permanent link to this record |
|
|
|
Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. |
Title |
Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
13 |
Issue |
6 |
Pages |
063002-063002,11 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000292137500002 |
Publication Date |
2011-06-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
98 |
Open Access |
|
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
Call Number |
UA @ lucian @ c:irua:89555 |
Serial |
1008 |
Permanent link to this record |
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Author |
Silhanek, A.V.; Leo, A.; Grimaldi, G.; Berdiyorov, G.R.; Milošević, M.V.; Nigro, A.; Pace, S.; Verellen, N.; Gillijns, W.; Metlushko, V.; Ilić, B.; Zhu, X.; Moshchalkov, V.V.; |
Title |
Influence of artificial pinning on vortex lattice instability in superconducting films |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
|
Pages |
053006-053006,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In superconducting films under an applied dc current, we analyze experimentally and theoretically the influence of engineered pinning on the vortex velocity at which the flux-flow dissipation undergoes an abrupt transition from low to high resistance. We argue, based on a nonuniform distribution of vortex velocity in the sample, that in strongly disordered systems the mean critical vortex velocity for flux-flow instability (i) has a nonmonotonic dependence on magnetic field and (ii) decreases as the pinning strength is increased. These findings challenge the generally accepted microscopic model of Larkin and Ovchinnikov (1979 J. Low. Temp. Phys. 34 409) and all subsequent refinements of this model which ignore the presence of pinning centers. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000304871700003 |
Publication Date |
2012-05-04 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
40 |
Open Access |
|
Notes |
; This work was supported by the Methusalem Funding of the Flemish Government, the ESF-NES program, the Belgian Science Policy (IAP) and the Fund for Scientific Research-Flanders (FWO-Vlaanderen). AVS, GRB and WG received individual support from FWO-Vlaanderen. GG acknowledges support from the research project L.R. N5 of Regione Campania. VM acknowledges financial support from the US NSF, grant no. ECCS-0823813. We acknowledge J Van de Vondel for a critical reading of the manuscript. ; |
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:98949 |
Serial |
1616 |
Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Magnetic Kronig-Penney model for Dirac electrons in single-layer graphene |
Type |
A1 Journal article |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
11 |
Issue |
|
Pages |
095009,1-095009,21 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
he properties of Dirac electrons in a magnetic superlattice (SL) on graphene consisting of very high and thin (δ-function) barriers are investigated. We obtain the energy spectrum analytically and study the transmission through a finite number of barriers. The results are contrasted with those for electrons described by the Schrödinger equation. In addition, a collimation of an incident beam of electrons is obtained along the direction perpendicular to that of the SL. We also highlight an analogy with optical media in which the refractive index varies in space. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000270513500008 |
Publication Date |
2009-10-01 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
89 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
Call Number |
UA @ lucian @ c:irua:79241 |
Serial |
1884 |
Permanent link to this record |
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Author |
de Bleecker, K.; Bogaerts, A.; Goedheer, W. |
Title |
Modelling of nanoparticle coagulation and transport dynamics in dusty silane discharges |
Type |
A1 Journal article |
Year |
2006 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
8 |
Issue |
|
Pages |
178,1-22 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000240503300002 |
Publication Date |
2006-09-06 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2006 IF: 3.754 |
Call Number |
UA @ lucian @ c:irua:60269 |
Serial |
2153 |
Permanent link to this record |
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Author |
Alexandrov, A.L.; Schweigert, I.V.; Peeters, F.M. |
Title |
A non-Maxwellian kinetic approach for charging of dust particles in discharge plasmas |
Type |
A1 Journal article |
Year |
2008 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
10 |
Issue |
|
Pages |
093025,1-093025,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Nanoparticle charging in a capacitively coupled radio frequency discharge in argon is studied using a particle in cell Monte Carlo collisions method. The plasma parameters and dust potential were calculated self-consistently for different unmovable dust profiles. A new method for definition of the dust floating potential is proposed, based on the information about electron and ion energy distribution functions, obtained during the kinetic simulations. This approach provides an accurate balance of the electron and ion currents on the dust particle surface and allows us to precisely calculate the dust floating potential. A comparison of the obtained floating potentials with the results of the traditional orbital motion limit (OML) theory shows that in the presence of the ion resonant charge exchange collisions, even when the OML approximation is valid, its results are correct only in the region of a weak electric field, where the ion drift velocity is much smaller than the thermal one. With increasing ion drift velocity, the absolute value of the calculated dust potential becomes significantly smaller than the theory predicts. This is explained by a non-Maxwellian shape of the ion energy distribution function for the case of fast ion drift. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000259615700004 |
Publication Date |
2008-09-24 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2008 IF: 3.440 |
Call Number |
UA @ lucian @ c:irua:76519 |
Serial |
2348 |
Permanent link to this record |
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Author |
Van Gaens, W.; Iseni, S.; Schmidt-Bleker, A.; Weltmann, K.-D.; Reuter, S.; Bogaerts, A. |
Title |
Numerical analysis of the effect of nitrogen and oxygen admixtures on the chemistry of an argon plasma jet operating at atmospheric pressure |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
033003 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper we study the cold atmospheric pressure plasma jet, called kinpen, operating in Ar with different admixture fractions up to 1% pure , and + . Moreover, the device is operating with a gas curtain of dry air. The absolute net production rates of the biologically active ozone () and nitrogen dioxide () species are measured in the far effluent by quantum cascade laser absorption spectroscopy in the mid-infrared. Additionally, a zero-dimensional semi-empirical reaction kinetics model is used to calculate the net production rates of these reactive molecules, which are compared to the experimental data. The latter model is applied throughout the entire plasma jet, starting already within the device itself. Very good qualitative and even quantitative agreement between the calculated and measured data is demonstrated. The numerical model thus yields very useful information about the chemical pathways of both the and the generation. It is shown that the production of these species can be manipulated by up to one order of magnitude by varying the amount of admixture or the admixture type, since this affects the electron kinetics significantly at these low concentration levels. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000352898500003 |
Publication Date |
2015-03-03 |
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 |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:124228 |
Serial |
2391 |
Permanent link to this record |
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Author |
Van Gaens, W.; Bruggeman, P.J.; Bogaerts, A. |
Title |
Numerical analysis of the NO and O generation mechanism in a needle-type plasma jet |
Type |
A1 Journal article |
Year |
2014 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
16 |
Issue |
|
Pages |
063054 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper we study two cold atmospheric pressure plasma jets, operating in Ar + 2% air, with a different electrode geometry but with the same power dissipated in the plasma. The density profiles of the biomedically active NO and O species throughout the plasma jet, previously obtained by laser diagnostics, are calculated by means of a zero-dimensional semi-empirical reaction kinetics model. A good agreement between the calculated and measured data is demonstrated. Furthermore, the most probable spatial power distribution in an RF driven plasma jet is obtained for the first time by comparing measured and calculated species density profiles. This was possible due to the strong effect of the power distribution on the NO and O density profiles. In addition the dominant reaction pathways for both the NO and the O species are identified. The model allows us to obtain key information on the reactive species production inside the jet, which is difficult to access by laser diagnostics in a coaxial geometry. Finally, we demonstrate that water impurities in the order of 100 ppm in the gas feed can have a significant effect on the spatial distribution of the NO and O density. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000339081400006 |
Publication Date |
2014-06-24 |
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 |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
34 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.786; 2014 IF: 3.558 |
Call Number |
UA @ lucian @ c:irua:117946 |
Serial |
2392 |
Permanent link to this record |
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Author |
Jiang, W.; Zhang, Y.; Bogaerts, A. |
Title |
Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
16 |
Issue |
|
Pages |
113036 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000346763400006 |
Publication Date |
2014-11-15 |
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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2014 IF: 3.558 |
Call Number |
UA @ lucian @ c:irua:120455 |
Serial |
2393 |
Permanent link to this record |
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Author |
Bultinck, E.; Bogaerts, A. |
Title |
Particle-in-cell/Monte Carlo collisions treatment of an Ar/O2 magnetron discharge used for the reactive sputter deposition of TiOx films |
Type |
A1 Journal article |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
11 |
Issue |
|
Pages |
103010-103010,24 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The physical processes in an Ar/O2 magnetron discharge used for the reactive sputter deposition of TiOx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. The plasma species taken into account are electrons, Ar+ ions, fast Arf atoms, metastable Arm* atoms, Ti+ ions, Ti atoms, O+ ions, O2+ ions, O− ions and O atoms. This model accounts for plasmatarget interactions, such as secondary electron emission and target sputtering, and the effects of target poisoning. Furthermore, the deposition process is described by an analytical surface model. The influence of the O2/Ar gas ratio on the plasma potential and on the species densities and fluxes is investigated. Among others, it is shown that a higher O2 pressure causes the region of positive plasma potential and the O− density to be more spread, and the latter to decrease. On the other hand, the deposition rates of Ti and O are not much affected by the O2/Ar proportion. Indeed, the predicted stoichiometry of the deposited TiOx film approaches x=2 for nearly all the investigated O2/Ar proportions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000270820900001 |
Publication Date |
2009-10-06 |
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 |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
Call Number |
UA @ lucian @ c:irua:78326 |
Serial |
2559 |
Permanent link to this record |
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Author |
Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A. |
Title |
Reactive sputter deposition of TiNx films, simulated with a particle-in-cell/Monte Carlo collisions model |
Type |
A1 Journal article |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
11 |
Issue |
|
Pages |
023039,1-023039,24 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The physical processes in an Ar/N2 magnetron discharge used for the reactive sputter deposition of TiNx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fractions were calculated and validated with mass spectrometric measurements. With this PIC/MCC model, the influence of N2/Ar gas ratio on the particle densities and fluxes was investigated, taking into account the effect of the poisoned state of the target. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000263744100001 |
Publication Date |
2009-02-26 |
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 |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
23 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
Call Number |
UA @ lucian @ c:irua:73150 |
Serial |
2825 |
Permanent link to this record |