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Author |
Michielsen, I. |
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Title |
Plasma catalysis : study of packing materials on CO2 reforming in a DBD reactor |
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Doctoral thesis |
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Year |
2019 |
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215 p. |
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Doctoral thesis; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160087 |
Serial |
5278 |
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Author |
Verlinden, G.; Gijbels, R.; Geuens, I. |
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Title |
Chemical microcharacterization of ultrathin iodide conversion layers and adsorbed thiocyanate surface layers on silver halide microcrystals with time-of-flight SIMS |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
8 |
Issue |
3 |
Pages |
216-226 |
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A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The technique of imaging time-of-flight secondary ion mass spectrometry (TOF-SIMS) and dual beam depth,profiling has been used to study the composition of the surface of tabular silver halide microcrystals. Analysis of individual microcrystals with a size well below 1 mum from a given emulsion is possible. The method is successfully applied for the characterization of silver halide microcrystals with subpercent global iodide concentrations confined in surface layers with a thickness below 5 nm. The developed TOF-SIMS analytical procedure is explicitly demonstrated for the molecular imaging of adsorbed thiocyanate layers (SCN) at crystal surfaces of individual crystals and for the differentiation of iodide conversion layers synthesized with KI and with AgI micrates (nanocrystals with a size between 10 and 50 nm). It can be concluded that TOF-SIMS as a microanalytical, surface-sensitive technique has some unique properties over other analytical techniques for the study of complex structured surface layers of silver halide microcrystals. This offers valuable information to support the synthesis of future photographic emulsions. |
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Cambridge, Mass. |
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000179055900007 |
Publication Date |
2002-11-13 |
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ISSN |
1431-9276; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
1 |
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Approved |
Most recent IF: 1.891; 2002 IF: 1.733 |
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Call Number |
UA @ lucian @ c:irua:103876 |
Serial |
349 |
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Author |
Kovács, A. |
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Title |
A structured methodology for natural deep eutectic solvent selection and formulation for enzymatic reactions |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
viii, 216 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Natural deep eutectic solvents (NADES) show great promise as media for enzymatic reactions in areas where (bio)compatibility with natural or medicinal products is a must. While in theory they can be tailored to the intended reaction to ensure optimized yields, the knowledge to date is predominantly empirical, with some mechanistic reports providing a fragmented view at best. Therefore, it is not easy to explain experimental observations, let alone make predictions. The aim of this study was to develop a structured, holistic understanding of the effects of NADES media on enzymatic reactions, distinguishing between effects on solubility, solvation, viscosity, inhibition and denaturation. Experimental and computational chemistry methods were combined to separately study the interactions between enzyme, substrate, and NADES as reaction media. The initial enzyme activity and the final conversion of vinyl laurate transesterification by immobilized Candida antarctica lipase were studied experimentally. The direct effect of NADES on the same enzyme was modeled by molecular dynamics simulation. The effect of solubility was studied by both experimental and computational methods. To predict the solubility and viscosity of NADES, data-driven models were developed by combining group contribution and machine learning methods, based on the accumulated experimental knowledge on NADES found in the literature. Finally, the composed relationships and prediction models were applied to the practical example of deacetylation of mannosylerythritol lipids (MELs). The experimental findings show that the chosen NADES system has a significant effect on both the apparent initial activity and the final conversion. However, in the simulations, the enzyme retains its original structure; moreover, NADES has an additional stabilizing effect on the enzyme. In addition, changes in the molar ratio of the compounds in NADES do not show a significant effect on the stability of the enzyme. These results indicate that the main effect of NADES on the reaction is mainly related to the substrate-solvent interactions (solvation energy) and the viscosity of the system. On the other hand, the experimental results only confirmed the significance of solvation, viscosity did not show a clear correlation with the studied reaction parameters. The machine learning models built for solubility and viscosity gave quantitative predictions of these properties. The accumulated knowledge was used to optimize the yield in the deacetylation reaction of MELs. The combination of these methods provides fundamental knowledge about the effect of NADES on biocatalysis, but the results are also applicable to other uses of NADES. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:194886 |
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7276 |
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Author |
Vandenbroucke, A.M.; Aerts, R.; Van Gaens, W.; De Geyter, N.; Leys, C.; Morent, R.; Bogaerts, A. |
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Title |
Modeling and experimental study of trichloroethylene abatement with a negative direct current corona discharge |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Plasma chemistry and plasma processing |
Abbreviated Journal |
Plasma Chem Plasma P |
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Volume |
35 |
Issue |
35 |
Pages |
217-230 |
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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, we study the abatement of dilute trichloroethylene (TCE) in air with a negative direct current corona discharge. A numerical model is used to theoretically investigate the underlying plasma chemistry for the removal of TCE, and a reaction pathway for the abatement of TCE is proposed. The Cl atom, mainly produced by dissociation of COCl, is one of the controlling species in the TCE destruction chemistry and contributes to the production of chlorine containing by-products. The effect of humidity on the removal efficiency is studied and a good agreement is found between experiments and the model for both dry (5 % relative humidity (RH)) and humid air (50 % RH). An increase of the relative humidity from 5 % to 50 % has a negative effect on the removal efficiency, decreasing by ±15 % in humid air. The main loss reactions for TCE are with ClO·, O· and CHCl2. Finally, the by-products and energy cost of TCE abatement are discussed. |
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New York |
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000347285800014 |
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2014-09-10 |
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ISSN |
0272-4324;1572-8986; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.355 |
Times cited |
9 |
Open Access |
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Approved |
Most recent IF: 2.355; 2015 IF: 2.056 |
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Call Number |
c:irua:118882 |
Serial |
2108 |
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Author |
Bogaerts, A.; Kozak, T.; van Laer, K.; Snoeckx, R. |
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Title |
Plasma-based conversion of CO2: current status and future challenges |
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A1 Journal article |
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Year |
2015 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
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Volume |
183 |
Issue |
183 |
Pages |
217-232 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper discusses our recent results on plasma-based CO2 conversion, obtained by a combination of experiments and modeling, for a dielectric barrier discharge (DBD), a microwave plasma and a packed bed DBD reactor. The results illustrate that plasma technology is quite promising for CO2 conversion, but more research is needed to better understand the underlying mechanisms and to further improve the capabilities. |
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Research Group PLASMANT, University of Antwerp, Department of Chemistry, Universiteitsplein 1, Antwerp, Belgium. annemie.bogaerts@uantwerpen.be |
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English |
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000365914900013 |
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2015-06-29 |
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ISSN |
1359-6640 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.588 |
Times cited |
89 |
Open Access |
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Notes |
We thank R. Aerts and W. van Gaens for setting up the experimental systems and for the interesting results obtained during their PhD study in our group. We also acknowledge nancial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Fund for Scientic Research Flanders (FWO) and the EU-FP7-ITN network “RAPID”. |
Approved |
Most recent IF: 3.588; 2015 IF: 4.606 |
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Call Number |
c:irua:130318 |
Serial |
3983 |
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Author |
Bogaerts, A.; Guenard, R.D.; Smith, B.W.; Winefordner, J.D.; Harrison, W.W.; Gijbels, R. |
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Title |
Three-dimensional density profiles of the argon metastable atoms in a direct current glow discharge: experimental study and comparison with calculations |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
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Volume |
52 |
Issue |
2 |
Pages |
219-229 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Oxford |
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A1997WR97300007 |
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0000-00-00 |
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ISSN |
0584-8547; 0038-6987 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.241 |
Times cited |
36 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.241; 1997 IF: 2.448 |
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Call Number |
UA @ lucian @ c:irua:19598 |
Serial |
3649 |
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Author |
Sun, S.R.; Wang, H.X.; Mei, D.H.; Tu, X.; Bogaerts, A. |
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Title |
CO2 conversion in a gliding arc plasma: Performance improvement based on chemical reaction modeling |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
17 |
Issue |
17 |
Pages |
220-234 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
CO2 conversion into value-added chemicals is gaining increasing interest in recent years, and a gliding arc plasma has great potential for this purpose, because of its high energy efficiency. In this study, a chemical reaction kinetics model is presented to study the CO2 splitting in a gliding arc discharge. The calculated
conversion and energy efficiency are in good agreement with experimental data in a range of different operating conditions. Therefore, this reaction kinetics model can be used to elucidate the dominant chemical reactions contributing to CO2 destruction and formation. Based on this reaction pathway analysis, the restricting factors for CO2 conversion are figured out, i.e., the reverse reactions and the small treated gas fraction. This allows us to propose some solutions in order to improve the CO2 conversion, such as decreasing the gas temperature, by using a high frequency discharge, or increasing the power
density, by using a micro-scale gliding arc reactor, or by removing the reverse reactions, which could be realized in practice by adding possible scavengers for O atoms, such as CH4. Finally, we compare our results with other types of plasmas in terms of conversion and energy efficiency, and the results illustrate that gliding arc discharges are indeed quite promising for CO2 conversion, certainly when keeping in mind the possible solutions for further performance improvement. |
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000393928500023 |
Publication Date |
2016-12-28 |
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2212-9820 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
41 |
Open Access |
Not_Open_Access |
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Notes |
We acknowledge financial support from the IAP/7 (Inter- university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N). 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 Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. This work is also supported by National Natural Science Foundation of China (grant nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council (CSC). |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @ c:irua:138986 |
Serial |
4332 |
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Permanent link to this record |
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Author |
Biondo, O. |
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Title |
Towards a fundamental understanding of energy-efficient, plasma-based CO<sub>2</sub> conversion |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
221 p. |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma-based CO2 conversion is worldwide gaining increasing interest. The aim of this work is to find potential pathways to improve the energy efficiency of plasma-based CO2 conversion beyond what is feasible for thermal chemistry. To do so, we use a combination of modeling and experiments to better understand the underlying mechanisms of CO2 conversion, ranging from non-thermal to thermal equilibrium conditions. Zero-dimensional (0D) chemical kinetics modelling, describing the detailed plasma chemistry, is developed to explore the vibrational kinetics of CO2, as the latter is known to play a crucial role in the energy efficient CO2 conversion. The 0D model is successfully validated against pulsed CO2 glow discharge experiments, enabling the reconstruction of the complex dynamics underlying gas heating in a pure CO2 discharge, paving the way towards the study of gas heating in more complex gas mixtures, such as CO2 plasmas with high dissociation degrees. Energy-efficient, plasma-based CO2 conversion can also be obtained upon the addition of a reactive carbon bed in the post-discharge region. The reaction between solid carbon and O2 to form CO allows to both reduce the separation costs and increase the selectivity towards CO, thus, increasing the energy efficiency of the overall conversion process. In this regard, a novel 0D model to infer the mechanism underlying the performance of the carbon bed over time is developed. The model outcome indicates that gas temperature and oxygen complexes formed at the surface of solid carbon play a fundamental and interdependent role. These findings open the way towards further optimization of the coupling between plasma and carbon bed. Experimentally, it has been demonstrated that “warm” plasmas (e.g. microwave or gliding arc plasmas) can yield very high energy efficiency for CO2 conversion, but typically only at reduced pressure. For industrial application, it will be important to realize such good energy efficiency at atmospheric pressure as well. However, recent experiments illustrate that the microwave plasma at atmospheric pressure is too close to thermal conditions to achieve a high energy efficiency. Hence, we use a comprehensive set of advanced diagnostics to characterize the plasma and the reactor performance, focusing on CO2 and CO2/CH4 microwave discharges. The results lead to a deeper understanding of the mechanism of power concentration with increasing pressure, typical of plasmas in most gases, which is of great importance for model validation and understanding of reactor performance. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:197213 |
Serial |
9108 |
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Author |
Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Loo, R.; Vandervorst, W. |
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Title |
On the evolution of strain and electrical properties in as-grown and annealed Si:P epitaxial films for source-drain stressor applications |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
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Volume |
7 |
Issue |
5 |
Pages |
P228-P237 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Heavily P doped Si:P epitaxial layers have gained interest in recent times as a promising source-drain stressor material for n type FinFETs (Fin Field Effect Transistors). They are touted to provide excellent conductivity as well as tensile strain. Although the as-grown layers do provide tensile strain, their conductivity exhibits an unfavorable behavior. It reduces with increasing P concentration (P > 1E21 at/cm(3)), accompanied by a saturation in the active carrier concentration. Subjecting the layers to laser annealing increases the conductivity and activates a fraction of P atoms. However, there is also a concurrent reduction in tensile strain (<1%). Literature proposes the formation of local semiconducting Si3P4 complexes to explain the observed behaviors in Si:P [Z. Ye et al., ECS Trans., 50(9) 2013, p. 1007-10111. The development of tensile strain and the saturation in active carrier is attributed to the presence of local complexes while their dispersal on annealing is attributed to strain reduction and increase in active carrier density. However, the existence of such local complexes is not proven and a fundamental void exists in understanding the structure-property correlation in Si:P films. In this respect, our work investigates the reason behind the evolution of strain and electrical properties in the as-grown and annealed Si:P epitaxial layers using ab-initio techniques and corroborate the results with physical characterization techniques. It will be shown that the strain developed in Si:P films is not due to any specific complexes while the formation of Phosphorus-vacancy complexes will be shown responsible for the carrier saturation and the increase in resistivity in the as-grown films. Interstitial/precipitate formation is suggested to be a reason for the strain loss in the annealed films. (C) The Author(s) 2018. Published by ECS. |
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Electrochemical society |
Place of Publication |
Pennington (N.J.) |
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Wos |
000440834200010 |
Publication Date |
2018-05-01 |
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Edition |
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ISSN |
2162-8769; 2162-8777 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.787 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 1.787 |
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Call Number |
UA @ lucian @ c:irua:153204 |
Serial |
5122 |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
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Title |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
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A1 Journal article |
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Year |
2019 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
159 |
Issue |
159 |
Pages |
228-234 |
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A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials. |
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000457856900023 |
Publication Date |
2018-12-18 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:157480 |
Serial |
5272 |
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Permanent link to this record |
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Author |
Maeyens, A.; Tempère, J. |
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Title |
Magnetohydrodynamic properties of incompressible Meissner fluids |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
58 |
Issue |
2 |
Pages |
231-236 |
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Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Publisher |
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Place of Publication |
Berlin |
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Wos |
000249312600002 |
Publication Date |
2007-09-07 |
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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 |
1434-6028;1434-6036; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.461 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.461; 2007 IF: 1.356 |
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Call Number |
UA @ lucian @ c:irua:65552 |
Serial |
1919 |
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Permanent link to this record |
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Author |
Wang, J. |
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Title |
Plasma catalysis : study of CO2 reforming of CH4 in a DBD reactor |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
XVI, 232 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The plasma-based dry reforming in a dielectric barrier discharge (DBD) reactor is important to achieve sustainable goals, but many challenges remain. For example, the conversion and energy yield of DBD reactors are relatively low, and the catalysts or packing materials used in existing studies cannot improve them, possibly due to the unsuitable properties and structures of catalysts or packing materials for plasma processes. In order to study the effect of catalyst structure on plasma-based dry reforming, a controllable synthesis of the catalyst supports or templates was explored. In Chapter 2, an initially immiscible synthesis method was proposed to synthesize uniform silica spheres, which can replace the organic solvent-based Stöber method to successfully synthesize silica particles with the same size ranges as the original Stöber process without addition of organic solvents. Using the silica spheres as templates, 3D porous Cu and CuO catalysts with different pore sizes were synthesized in Chapter 3 to study the effect of catalyst pore size on the plasma-catalytic dry reforming. In most cases, the smaller the pore size, the higher the conversion of CH4 and CO2 due to the reaction of radicals and ions formed in the plasma. An exception are the samples synthesized from 1 μm silica, which show better performance due to the electric field enhancement for pore sizes close to the Debye length. Besides the pore size, the particle diameter of the catalyst or packing is also one of the important factors affecting the interaction between plasma and catalyst. In Chapter 4, SiO2 spheres (with or without supported metal) were used to study the effect of different support particle sizes on plasma-based dry reforming. We found that a uniform SiO2 packing improves the conversion of plasma-based dry reforming. The conversion of plasma-based dry reforming first increases and then decreases with increasing particle size, due to the balance between the promoting and hindering effect of the particle filling on the plasma discharge. Chapter 5 is to improve the design of the DBD reactor itself, in order to try to increase its low energy yield. Some stainless steel rings were put over the inner electrode rod of the DBD reactor. The presence of rings increases the local electric field, the displaced charges and the discharge fraction, and also makes the discharge more stable and with more uniform intensity. The placement of the rings improves the performance of the reactor at 30 W supplied power. |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:194045 |
Serial |
7273 |
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Permanent link to this record |
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Author |
De Backer, J. |
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Title |
The versatile nature of cytoglobin, the Swiss army knife among globins, with a preference for oxidative stress |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
XVIII, 232 p. |
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Keywords |
Doctoral thesis; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Proteinscience, proteomics and epigenetic signaling (PPES) |
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Abstract |
Since its discovery 20 years ago, many studies have been performed to gain insight into the functional role of cytoglobin (Cygb). However, Cygb has been proven to be a promiscuous protein. Yet, there is a consensus that Cygb is a cytoprotective protein involved in redox homeostasis. CYGB is a ubiquitously expressed hexacoordinated globin that is highly expressed in melanocytes and is often found to be downregulated during melanocyte-to-melanoma transition. In Chapter III, we investigated the molecular mechanism through which CYGB could be involved in redox regulation. Here, we showed that CYGB contains two redox-sensitive cysteine residues and that the formation of an intramolecular disulfide bridge resulted in the heme group becoming more accessible to external ligands. This supports the hypothesis that Cys38 and Cys83 serve as sensitive redox sensors. In Chapter IV we showed that CYGB mRNA and protein levels were elevated upon exposure to hypoxia. Interestingly, this upregulation was most likely HIF-2α-dependent. We propose that in melanoma, HIF-2α, rather than HIF-1α, positively regulates CYGB under hypoxic conditions in a cell type specific way. In Chapter V, the cytotoxic effect of indirect NTP treatment in two melanoma cell lines with divergent endogenous CYGB expression levels was investigated. We confirmed that NTP endows cytotoxicity that induces cell death through apoptosis and that this was mediated through the production of ROS. Moreover, we showed that CYGB protects melanoma cells from ROS-induced apoptosis by the scavenging of ROS. Interestingly, CYGB expression influenced the expression of NRF2 and HO-1. We identified the lncRNA MEG3 as a possible mechanism through which NRF2 expression and its downstream target HO-1 can be regulated by CYGB. In chapter VI, increased basal ROS levels and higher degree of lipid peroxidation upon RSL3 treatment contributed to the increased sensitivity of CYGB knockdown G361 cells to ferroptosis. Furthermore, transcriptome analysis demonstrates the enrichment of multiple cancer malignancy pathways upon CYGB knockdown, supporting a tumor-suppressive role for CYGB. Remarkably, CYGB expression regulation was identified as a critical determinant of the ferroptosis–pyroptosis therapy response. This suggests that CYGB is involved in the regulation of multiple modes of programmed cell death. FInally, we sought to delineate the RONS that are responsible for plasma-induced ICD. Our results highlight the importance of the short-lived species. Furthermore, we are first to demonstrate that NTP-created vaccine is safely prepared and offers complete protection. Moreover, we provide conclusive evidence that direct application of NTP induces ICD in melanoma. |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:193568 |
Serial |
7277 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Aghaei, M. |
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Title |
Inductively coupled plasma-mass spectrometry: insights through computer modeling |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
32 |
Issue |
32 |
Pages |
233-261 |
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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 tutorial review paper, we illustrate how computer modeling can contribute to a better insight in inductively coupled plasma-mass spectrometry (ICP-MS). We start with a brief overview on previous efforts, studying the fundamentals of the ICP and ICP-MS, with main focus on previous modeling activities. Subsequently, we explain in detail the model that we developed in previous years, and we show typical calculation results, illustrating the plasma characteristics, gas flow patterns and the sample transport, evaporation and ionization. We also present the effect of various experimental parameters, such as operating conditions, geometrical aspects and sample characteristics, to illustrate how modeling can help to elucidate the optimal conditions for improved analytical performance. |
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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 |
000395529800002 |
Publication Date |
2016-12-07 |
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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 |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
14 |
Open Access |
OpenAccess |
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Notes |
The authors are very grateful to H. Lindner for the initial model development and for the many interesting discussions. They also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO; Grant number 6713). 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 Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.379 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140074 |
Serial |
4416 |
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Permanent link to this record |
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Author |
Charlier, E.; van Doorselaer, M.; Gijbels, R.; de Keyzer, R.; Geuens, I. |
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Title |
Unveiling the composition of sulphur sensitization specks by their interactions with TAI |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Journal Of Imaging Science And Technology |
Abbreviated Journal |
J Imaging Sci Techn |
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Volume |
44 |
Issue |
3 |
Pages |
235-241 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A two-step process for the formation of sensitivity centers different from earlier described two-step processes was found for sulfur sensitized emulsions. After deposition of sulfur in the first step, it was found that the second step does not consist of rearrangement of sulfur over the surface, but of the supply of silver interstitial ions towards the deposited sulfur clusters. The two processes could be separated by adsorbing and desorbing TAI (4-hydroxy-1, 3,3a, 7-tetraazaindene) at/from the silver halide surface. When 1.5 mmol TAI/mol Ag is added before the sulfur reaction, the silver interstitials are immobilized but sulfur still can be deposited at the same level. By lowering the pH to 2.50 after this sulfur reaction, TAI is desorbed from the surface and the released interstitials then cause a restoration of the properties of a sulfur system without TAI. These effects could be demonstrated via diffuse reflectance spectroscopy (DRS), sensitometry and dielectric loss measurements. We could also confirm the isolation of silver sulfide clusters by TAI from other chemicals in the solution, by adsorption of TAI on the clusters. |
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Place of Publication |
Springfield, Va |
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Wos |
000087651100010 |
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 |
1062-3701 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.348 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.348; 2000 IF: NA |
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Call Number |
UA @ lucian @ c:irua:34075 |
Serial |
3820 |
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Permanent link to this record |
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Author |
Ramakers, M. |
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Title |
Using a gliding arc plasmatron for CO2 conversion : the future in industry? |
Type |
Doctoral thesis |
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Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
235 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Series Issue |
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ISBN |
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Additional Links |
UA library record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:158254 |
Serial |
5282 |
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Permanent link to this record |
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Author |
Biswas, A.N.; Winter, L.R.; Loenders, B.; Xie, Z.; Bogaerts, A.; Chen, J.G. |
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Title |
Oxygenate Production from Plasma-Activated Reaction of CO2and Ethane |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Acs Energy Letters |
Abbreviated Journal |
Acs Energy Lett |
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Volume |
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Issue |
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Pages |
236-241 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Upgrading ethane with CO2 as a soft oxidant represents a desirable means of obtaining oxygenated hydrocarbons. This reaction is not thermodynamically feasible under mild conditions and has not been previously achieved as a one-step process. Nonthermal plasma was implemented as an alternative means of supplying energy to overcome activation barriers, leading to the production of alcohols, aldehydes, and acids as well as C1−C5+ hydrocarbons under ambient pressure, with a maximum total oxygenate selectivity of 12%. A plasma chemical kinetic computational model was developed and found to be in good agreement with the experimental trends. Results from this study illustrate the potential to use plasma for the direct synthesis of value-added alcohols, acids, and aldehydes from ethane and CO2 under mild conditions. |
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Wos |
000732435700001 |
Publication Date |
2021-12-14 |
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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 |
2380-8195 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
Basic Energy Sciences, DE-SC0012704 ; Fonds Wetenschappelijk Onderzoek, S001619N ; H2020 European Research Council, 810182 ; National Science Foundation, DGE 16-44869 ; This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Catalysis Science Program (grant no. DE-SC0012704). L.R.W. acknowledges the U.S. National Science Foundation Graduate Research Fellowship Program grant number DGE 16-44869. B.L. and A.B. acknowledge support from the FWO-SBO project PLASMA240 |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:184812 |
Serial |
6897 |
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Permanent link to this record |
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Author |
Van der Paal, J. |
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Title |
Generation, transport and molecular interactions of reactive species in plasma medicine |
Type |
Doctoral thesis |
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Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
237 p. |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:162591 |
Serial |
6297 |
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Permanent link to this record |
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Author |
Pietanza, L.D.; Guaitella, O.; Aquilanti, V.; Armenise, I.; Bogaerts, A.; Capitelli, M.; Colonna, G.; Guerra, V.; Engeln, R.; Kustova, E.; Lombardi, A.; Palazzetti, F.; Silva, T. |
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Title |
Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review |
Type |
A1 Journal Article |
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Year |
2021 |
Publication |
European Physical Journal D |
Abbreviated Journal |
Eur Phys J D |
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Volume |
75 |
Issue |
9 |
Pages |
237 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Numerous applications have required the study of CO2 plasmas since the 1960s, from CO2 lasers to spacecraft heat shields. However, in recent years, intense research activities on the subject have restarted because of environmental problems associated with CO2 emissions. The present review provides a synthesis of the current state of knowledge on the physical chemistry of cold CO2 plasmas. In particular, the different modeling approaches implemented to address specific aspects of CO2 plasmas are presented. Throughout the paper, the importance of conducting joint experimental, theoretical and modeling studies to elucidate the complex couplings at play in CO2 plasmas is emphasized. Therefore, the experimental data that are likely to bring relevant constraints to the different modeling approaches are first reviewed. Second, the calculation of some key elementary processes obtained with semi-empirical, classical and quantum methods is presented. In order to describe the electron kinetics, the latest coherent sets of cross section satisfying the constraints of “electron swarm” analyses are introduced, and the need for self-consistent calculations for determining accurate electron energy distribution function (EEDF) is evidenced. The main findings of the latest zero-dimensional (0D) global models about the complex chemistry of CO2 and its dissociation products in different plasma discharges are then given, and full state-to-state (STS) models of only the vibrational-dissociation kinetics developed for studies of spacecraft shields are described. Finally, two important points for all applications using CO2 containing plasma are discussed: the role of surfaces in contact with the plasma, and the need for 2D/3D models to capture the main features of complex reactor geometries including effects induced by fluid dynamics on the plasma properties. In addition to bringing together the latest advances in the description of CO2 non-equilibrium plasmas, the results presented here also highlight the fundamental data that are still missing and the possible routes that still need to be investigated. |
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Place of Publication |
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Wos |
000692394800001 |
Publication Date |
2021-09-01 |
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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 |
1434-6060 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.288 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Russian Science Foundation, project 19-11-00041 ; Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; H2020 Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 and UIDP/50010/2020 UIDB/50010/2020 and UIDP/50010/2020 ; Università degli Studi di Perugia, AMIS project (Dipartimenti di Eccellenza-2018-2022) Dipartimento di Chimica, Biologia e Biotecnologie (Fondo Ricerca di Base 2019 program)) ; agenzia spaziale italiana, ASI N. 2019-3-U.0 ; The work of Kustova is supported by the Russian Science Foundation, project 19-11-00041. The work of Guerra, Bogaerts, Engeln and Guaitella has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie SklodowskaCurie grant agreement No 813393, Guerra and Silva were partially funded by the Portuguese FCT – Fundação para |
Approved |
Most recent IF: 1.288 |
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Call Number |
PLASMANT @ plasmant @c:irua:181081 |
Serial |
6809 |
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Permanent link to this record |
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Author |
Wardenier, N.; Vanraes, P.; Nikiforov, A.; Van Hulle, S.W.H.; Leys, C. |
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Title |
Removal of micropollutants from water in a continuous-flow electrical discharge reactor |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
362 |
Issue |
362 |
Pages |
238-245 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The emergence of micropollutants into our aquatic resources is regarded as an issue of increasing environmental concern. To protect the aquatic environment against further contamination with micropollutants, treatment with advanced oxidation processes (AOPs) is put forward as a promising technique. In this work, an innovative AOP based on electrical discharges in a continuous-flow pulsed dielectric barrier discharge (DBD) reactor with falling water film over activated carbon textile is examined for its potential application in water treatment. The effect of various operational parameters including feed gas type, gas flow rate, water flow rate and power on removal and energy efficiency has been studied. To this end, a synthetic micropollutant mixture containing five pesticides (atrazine, alachlor, diuron, dichlorvos and pentachlorophenol), two pharmaceuticals (carbamazepine and 1,7-alpha-ethinylestradiol), and 1 plasticizer (bisphenol A) is used. While working under optimal conditions, energy consumption was situated in the range 2.42-4.25 kW h/m(3), which is about two times lower than the economically viable energy cost of AOPs (5 kW h/m(3)). Hence, the application of non-thermal plasma could be regarded as a promising alternative AOP for (industrial) wastewater remediation. |
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Wos |
000449127500027 |
Publication Date |
2018-08-30 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.065 |
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Call Number |
UA @ admin @ c:irua:155358 |
Serial |
5279 |
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Permanent link to this record |
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Author |
Bogaerts, A.; Gijbels, R. |
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Title |
Modeling of a microsecond pulsed glow discharge: behavior of the argon excited levels and of the sputtered copper atoms and ions |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
16 |
Issue |
|
Pages |
239-249 |
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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 |
000167163200001 |
Publication Date |
2002-07-26 |
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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 |
0267-9477;1364-5544; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.379 |
Times cited |
36 |
Open Access |
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|
Notes |
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Approved |
Most recent IF: 3.379; 2001 IF: 3.305 |
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Call Number |
UA @ lucian @ c:irua:34146 |
Serial |
2116 |
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Permanent link to this record |
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Author |
Gijbels, R.; van Straaten, M.; Bogaerts, A. |
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Title |
Mass spectrometric analysis of inorganic solids: GDMS and other methods |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Advances in mass spectrometry |
Abbreviated Journal |
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Volume |
13 |
Issue |
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Pages |
241-256 |
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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 |
A1995BG78P00013 |
Publication Date |
0000-00-00 |
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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 |
0568-000x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
12 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:12267 |
Serial |
1952 |
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Permanent link to this record |
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Author |
Loo, R.; Arimura, H.; Cott, D.; Witters, L.; Pourtois, G.; Schulze, A.; Douhard, B.; Vanherle, W.; Eneman, G.; Richard, O.; Favia, P.; Mitard, J.; Mocuta, D.; Langer, R.; Collaert, N. |
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Title |
Epitaxial CVD growth of ultra-thin Si passivation layers on strained Ge fin structures |
Type |
P1 Proceeding |
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Year |
2017 |
Publication |
Semiconductor Process Integration 10 |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
241-252 |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Epitaxially grown ultra-thin Si layers are often used to passivate Ge surfaces in the high-k gate module of (strained) Ge FinFET devices. We use Si4H10 as Si precursor as it enables epitaxial Si growth at temperatures down to 330 degrees C. C-V characteristics of blanket capacitors made on Ge virtual substrates point to the presence of an optimal Si thickness. In case of compressively strained Ge fin structures, the Si growth results in non-uniform and high strain levels in the strained Ge fin. These strain levels have been calculated for different shapes of the Ge fin and in function of the grown Si thickness. The high strain is the driving force for potential (unwanted) Ge surface reflow during the Si deposition. The Ge surface reflow is strongly affected by the strength of the H-passivation during Si-capping and can be avoided by carefully selected process conditions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
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Language |
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Wos |
000426269800024 |
Publication Date |
2017-10-17 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
80 |
Series Issue |
4 |
Edition |
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|
ISSN |
978-1-60768-821-1; 978-1-62332-473-5 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
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|
Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:149965 |
Serial |
4966 |
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Permanent link to this record |
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Author |
van 't Veer, K.C. |
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Title |
Plasma kinetics modelling of nitrogen fixation : ammonia synthesis in dielectric barrier discharges with catalysts |
Type |
Doctoral thesis |
|
Year |
2022 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
241 p. |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Ammonia (NH3) synthesis is crucial for the production of artificial fertilizer and is carried out through the Haber-Bosch process. With an energy consumption of 30 GJ/t-NH3 and the emission of 2 kg-CO2/kg-NH3, ammonia is the chemical with the largest environmental footprint. Haber-Bosch operates under high pressure and high temperature conditions. Plasma technology potentially allows greener ammonia production. Dielectric barrier discharges are a popular plasma source in which a catalyst is easily incorporated. The combination of plasma and catalyst can circumvent the harsh reaction conditions of the Haber-Bosch process. Plasma kinetics modelling is used to gain insight into the mechanisms of such plasma-catalytic systems. Special attention is given to the instantaneous power absorbed by the electrons, the relevant fraction of the microdischarges and the discharge volumes. The importance of vibrational excitation is investigated. Depending on the exact discharge conditions, it was found that both the strong microdischarges and vibrational excitation can be simultaneously important for the ammonia yield. The temporal behavior of filamentary dielectric barrier discharges was explicitly taken into account. Ammonia was found to decompose during the microdischarges due to electron impact dissociation. At the same time atomic nitrogen and other excited species are created. Those reactive species recombine to ammonia in the afterglow through various elementary Eley-Rideal and Langmuir-Hinshelwood surface reaction steps with a net ammonia gain. Finally, the concept of the fraction of microdischarges was generalized. It directly represents the efficiency with which the applied electric power is transferred to each individual particle in the plasma reactor. It is argued that any type of spatial or temporal non-uniformity of the plasma will cause unequal treatment of the gas molecules in the reactor, corresponding to a lower efficiency at which the power is transferred to the gas molecules. All of those insights aid in an increased understanding of plasma-catalytic ammonia synthesis as a potential green chemistry solution to the synthesis of ammonia on small scale. |
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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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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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|
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:188246 |
Serial |
7193 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
193 |
Issue |
4 |
Pages |
243-250 |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
A1992HZ32800007 |
Publication Date |
2002-07-25 |
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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 |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.897 |
Times cited |
42 |
Open Access |
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|
Notes |
|
Approved |
no |
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|
Call Number |
UA @ lucian @ c:irua:4194 |
Serial |
2455 |
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Permanent link to this record |
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Author |
Ghorbanfekr Kalashami, H. |
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Title |
Graphene-based membranes and nanoconfined water : molecular dynamics simulation study |
Type |
Doctoral thesis |
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Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
243 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT); 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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160548 |
Serial |
5216 |
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Permanent link to this record |
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Author |
Neyts, E.; Mao, M.; Eckert, M.; Bogaerts, A. |
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Title |
Modeling aspects of plasma-enhanced chemical vapor deposition of carbon-based materials |
Type |
H1 Book chapter |
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Year |
2012 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
245-290 |
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Keywords |
H1 Book chapter; 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 |
CRC Press |
Place of Publication |
Boca Raton, Fla |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
|
ISBN |
978-1-4398-6676-4 |
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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|
|
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:107843 |
Serial |
2109 |
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Permanent link to this record |
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Author |
van Ham, R.; Adriaens, A.; van Vaeck, L.; Gijbels, R.; Adams, F. |
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Title |
Molecular information in static SIMS for the speciation of inorganic compounds |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
Nucl Instrum Meth B |
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Volume |
161/163 |
Issue |
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Pages |
245-249 |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000086204100043 |
Publication Date |
2003-04-05 |
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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 |
0168-583X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.109 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.109; 2000 IF: 0.955 |
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Call Number |
UA @ lucian @ c:irua:27853 |
Serial |
2178 |
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Permanent link to this record |
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Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
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Title |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
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Volume |
19 |
Issue |
1 |
Pages |
245-270 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. |
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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 |
000903286100001 |
Publication Date |
2022-12-19 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
1549-9618 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
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Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
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Permanent link to this record |
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Author |
Cambré, S.; Campo, J.; Beirnaert, C.; Verlackt, C.; Cool, P.; Wenseleers, W. |
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Title |
Asymmetric dyes align inside carbon nanotubes to yield a large nonlinear optical response |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
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Volume |
10 |
Issue |
10 |
Pages |
248-252 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Nanostructured and organic optical and electronic materials (NANOrOPT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Asymmetric dye molecules have unusual optical and electronic properties1, 2, 3. For instance, they show a strong second-order nonlinear optical (NLO) response that has attracted great interest for potential applications in electro-optic modulators for optical telecommunications and in wavelength conversion of lasers2, 3. However, the strong Coulombic interaction between the large dipole moments of these molecules favours a pairwise antiparallel alignment that cancels out the NLO response when incorporated into bulk materials. Here, we show that by including an elongated dipolar dye (p,p′-dimethylaminonitrostilbene, DANS, a prototypical asymmetric dye with a strong NLO response4) inside single-walled carbon nanotubes (SWCNTs)5, 6, an ideal head-to-tail alignment in which all electric dipoles point in the same sense is naturally created. We have applied this concept to synthesize solution-processible DANS-filled SWCNTs that show an extremely large total dipole moment and static hyperpolarizability (β0 = 9,800 × 10−30 e.s.u.), resulting from the coherent alignment of arrays of ∼70 DANS molecules. |
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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 |
000350799700016 |
Publication Date |
2015-02-02 |
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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 |
1748-3387;1748-3395; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
38.986 |
Times cited |
46 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 38.986; 2015 IF: 34.048 |
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Call Number |
c:irua:125405 |
Serial |
158 |
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Permanent link to this record |