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Author Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 6592-6603
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000351970800015 Publication Date 2015-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 10 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:125544 Serial 171
Permanent link to this record
 
 
Author Hoon Park, J.; Kumar, N.; Hoon Park, D.; Yusupov, M.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.; Ho Kang, M.; Sup Uhm, H.; Ha Choi, E.; Attri, P.;
Title A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma Type A1 Journal article
Year 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 5 Issue 5 Pages 13849
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Bacteria can be inactivated through various physical and chemical means, and these have always been the focus of extensive research. To further improve the methodology for these ends, two types of plasma systems were investigated: nano-second pulsed plasma (NPP) as liquid discharge plasma and an Argon gas-feeding dielectric barrier discharge (Ar-DBD) as a form of surface plasma. To understand the sterilizing action of these two different plasma sources, we performed experiments with Staphylococcus aureus (S. aureus) bacteria (wild type) and multidrug resistant bacteria (Penicillum-resistant, Methicillin-resistant and Gentamicin-resistant). We observed that both plasma sources can inactivate both the wild type and multidrug-resistant bacteria to a good extent. Moreover, we observed a change in the surface morphology, gene expression and β-lactamase activity. Furthermore, we used X-ray photoelectron spectroscopy to investigate the variation in functional groups (C-H/C-C, C-OH and C=O) of the peptidoglycan (PG) resulting from exposure to plasma species. To obtain atomic scale insight in the plasma-cell interactions and support our experimental observations, we have performed molecular dynamics simulations to study the effects of plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, on the dissociation/formation of above mentioned functional groups in PG.
Address
Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000360909000001 Publication Date 2015-09-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 32 Open Access
Notes Approved Most recent IF: 4.259; 2015 IF: 5.578
Call Number c:irua:127410 Serial 419
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Author Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T.
Title Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 11903-11908
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A method has been developed for damage-free cesium (Cs) encapsulation within single-walled carbon nanotubes (SWNTs) with fine position selectivity. Precise energy tuning of Cs-ion irradiation revealed that there is a clear energy window (2060 eV) for the efficient encapsulation of Cs through the hexagonal network of SWNT sidewalls without causing significant damage. This minimum energy threshold of Cs-ion encapsulation (∼20 eV) matches well with the value obtained by ab initio simulation (∼22 eV). Furthermore, position-selective Cs encapsulation was carried out, resulting in the successful formation of pn-junction SWNT thin films with excellent environmental stability.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000355495600072 Publication Date 2015-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 3 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:125928 Serial 1760
Permanent link to this record
 
 
Author De Bie, C.; van Dijk, J.; Bogaerts, A.
Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 22331-22350
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362385700010 Publication Date 2015-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 46 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:128774 Serial 3960
Permanent link to this record
 
 
Author Kamaraj, B.; Bogaerts, A.
Title Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study Type A1 Journal article
Year 2015 Publication PLoS ONE Abbreviated Journal Plos One
Volume 10 Issue 10 Pages e0134638
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000359061400096 Publication Date 2015-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-6203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.806 Times cited Open Access
Notes Approved Most recent IF: 2.806; 2015 IF: 3.234
Call Number c:irua:126779 Serial 3278
Permanent link to this record
 
 
Author Heijkers, S.; Snoeckx, R.; Kozák, T.; Silva, T.; Godfroid, T.; Britun, N.; Snyders, R.; Bogaerts, A.
Title CO2 conversion in a microwave plasma reactor in the presence of N2 : elucidating the role of vibrational levels Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 12815-12828
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A chemical kinetics model is developed for a CO2/N2 microwave plasma, focusing especially on the vibrational levels of both CO2 and N2. The model is used to calculate the CO2 and N2 conversion as well as the energy efficiency of CO2 conversion for different power densities and for N2 fractions in the CO2/N2 gas mixture ranging from 0 to 90%. The calculation results are compared with measurements, and agreements within 23% and 33% are generally found for the CO2 conversion and N2 conversion, respectively. To explain the observed trends, the destruction and formation processes of both CO2 and N2 are analyzed, as well as the vibrational distribution functions of both CO2 and N2. The results indicate that N2 contributes in populating the lower asymmetric levels of CO2, leading to a higher absolute CO2 conversion upon increasing N2 fraction. However, the effective CO2 conversion drops because there is less CO2 initially present in the gas mixture; thus, the energy efficiency also drops with rising N2 fraction.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000356317500005 Publication Date 2015-05-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 56 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126325 Serial 3523
Permanent link to this record
 
 
Author Khalilov, U.; Bogaerts, A.; Neyts, E.C.
Title Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors Type A1 Journal article
Year 2015 Publication Nature communications Abbreviated Journal Nat Commun
Volume 6 Issue 6 Pages 10306
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level.
Address PLASMANT research group, Department of Chemistry, University of Antwerp, Universiteitsplein 1, 2610 Antwerpen, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000367584500001 Publication Date 2015-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 37 Open Access
Notes The authors gratefully acknowledge financial support from the Fund of Scientific Research Flanders (FWO), Belgium, grant number 12M1315N. The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. We thank Professor Adri C. T. van Duin for sharing the ReaxFF code. Approved Most recent IF: 12.124; 2015 IF: 11.470
Call Number c:irua:129975 Serial 3990
Permanent link to this record
 
 
Author van Laer, K.; Bogaerts, A.
Title Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor Type A1 Journal article
Year 2015 Publication Energy technology Abbreviated Journal Energy Technol-Ger
Volume 3 Issue 3 Pages 1038-1044
Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362913600006 Publication Date 2015-08-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2194-4288 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.789 Times cited 59 Open Access
Notes This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support Approved Most recent IF: 2.789; 2015 IF: 2.824
Call Number c:irua:128224 Serial 3992
Permanent link to this record
 
 
Author Verbruggen, S.W.; Lenaerts, S.; Denys, S.
Title Analytic versus CFD approach for kinetic modeling of gas phase photocatalysis Type A1 Journal article
Year 2015 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 262 Issue Pages 1-8
Keywords (up) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this work two methods for determining the LangmuirHinshelwood kinetic parameters for a slit-shaped flat bed photocatalytic reactor are compared: an analytic mass transfer based model adapted from literature and a computational fluid dynamics (CFD) approach that was used in conjunction with a simplex optimization routine. Despite the differences between both approaches, similar values for the kinetic parameters and similar trends in terms of their UV intensity dependence were found. Using an effectiveness-NTU (number of transfer units) approach, the analytic mass transfer based method could quantify the relative contributions of the rate limiting steps through a reaction effectiveness parameter. The numeric CFD approach on the other hand could yield the two kinetic parameters that determine the photocatalytic reaction rate simultaneously. Furthermore, it proved to be more accurate as it accounts for the spatial variation of flow rate, reaction rate and concentrations at the surface of the photocatalyst. We elaborate this dual kinetic analysis with regard to the photocatalytic degradation of acetaldehyde in air over a silicon wafer coated with a layer of TiO2 P25 (Evonik) and study the usefulness and limitations of both strategies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347577700001 Publication Date 2014-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 30 Open Access
Notes ; S.W.V. acknowledges the Research Foundation of Flanders (FWO) for financial support. ; Approved Most recent IF: 6.216; 2015 IF: 4.321
Call Number UA @ admin @ c:irua:119724 Serial 5927
Permanent link to this record
 
 
Author Jochems, P.; Mueller, T.; Satyawali, Y.; Diels, L.; Dejonghe, W.; Hanefeld, U.
Title Active site titration of immobilized beta-galactosidase for the determination of active enzymes Type A1 Journal article
Year 2015 Publication Biochemical engineering journal Abbreviated Journal
Volume 93 Issue Pages 137-141
Keywords (up) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In the present study, an active site titration method is demonstrated, to determine the amount of active enzyme (beta-galactosidase), immobilized on a support. Two types of supports were investigated, viz, amino acrylic resin and a mixed matrix membrane. Furthermore, 2',4'-dinitrophenyl 2-deoxy-2-fluoro-beta-D-galactopyranoside was used as an inhibitor for the active site titration of immobilized beta-galactosidase obtained from Kluyveromyces lactis. Using the active site titration, approximately 8.3 mg of active enzyme was found on 1 g of dried commercially available SPRIN imibond, which is an amino acrylic resin with covalently bound beta-galactosidase obtained from K. lactis. However, this method, in its present form, was not effective on the mixed matrix membranes due to the irreversible partial adsorption of the leaving group (2',4'-dinitrophenolate) by the membrane. This observation implied that it is important to investigate interactions between the support and the used inhibitor and leaving group. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347362100018 Publication Date 2014-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-703x; 1873-295x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:123763 Serial 7417
Permanent link to this record
 
 
Author Shi, P.-J.; Xu, Q.; Sandhu, H.S.; Gielis, J.; Ding, Y.-L.; Li, H.-R.; Dong, X.-B.
Title Comparison of dwarf bamboos (Indocalamus sp.) leaf parameters to determine relationship between spatial density of plants and total leaf area per plant Type A1 Journal article
Year 2015 Publication Ecology and evolution Abbreviated Journal
Volume 5 Issue 20 Pages 4578-4589
Keywords (up) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The relationship between spatial density and size of plants is an important topic in plant ecology. The self-thinning rule suggests a −3/2 power between average biomass and density or a −1/2 power between stand yield and density. However, the self-thinning rule based on total leaf area per plant and density of plants has been neglected presumably because of the lack of a method that can accurately estimate the total leaf area per plant. We aimed to find the relationship between spatial density of plants and total leaf area per plant. We also attempted to provide a novel model for accurately describing the leaf shape of bamboos. We proposed a simplified Gielis equation with only two parameters to describe the leaf shape of bamboos one model parameter represented the overall ratio of leaf width to leaf length. Using this method, we compared some leaf parameters (leaf shape, number of leaves per plant, ratio of total leaf weight to aboveground weight per plant, and total leaf area per plant) of four bamboo species of genus Indocalamus Nakai (I. pedalis (Keng) P.C. Keng, I. pumilus Q.H. Dai and C.F. Keng, I. barbatus McClure, and I. victorialis P.C. Keng). We also explored the possible correlation between spatial density and total leaf area per plant using log-linear regression. We found that the simplified Gielis equation fit the leaf shape of four bamboo species very well. Although all these four species belonged to the same genus, there were still significant differences in leaf shape. Significant differences also existed in leaf area per plant, ratio of leaf weight to aboveground weight per plant, and leaf length. In addition, we found that the total leaf area per plant decreased with increased spatial density. Therefore, we directly demonstrated the self-thinning rule to improve light interception.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000363731500008 Publication Date 2015-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-7758 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:128662 Serial 7691
Permanent link to this record
 
 
Author Rossi, F.; Olguin, E.J.; Diels, L.; De Philippis, R.
Title Microbial fixation of CO2 in water bodies and in drylands to combat climate change, soil loss and desertification Type A1 Journal article
Year 2015 Publication New biotechnology Abbreviated Journal
Volume 32 Issue 1 Pages 109-120
Keywords (up) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The growing concern for the increase of the global warming effects due to anthropogenic activities raises the challenge of finding novel technological approaches to stabilize CO2 emissions in the atmosphere and counteract impinging interconnected issues such as desertification and loss of biodiversity. Biological-CO2 mitigation, triggered through biological fixation, is considered a promising and eco-sustainable method, mostly owing to its downstream benefits that can be exploited. Microorganisms such as cyanobacteria, green algae and some autotrophic bacteria could potentially fix CO2 more efficiently than higher plants, due to their faster growth. Some examples of the potential of biological-CO2 mitigation are reported and discussed in this paper. In arid and semiarid environments, soil carbon sequestration (CO2 fixation) by cyanobacteria and biological soil crusts is considered an eco-friendly and natural process to increase soil C content and a viable pathway to soil restoration after one disturbance event. Another way for biological-CO2 mitigation intensively studied in the last few years is related to the possibility to perform carbon dioxide sequestration using microalgae, obtaining at the same time bioproducts of industrial interest. Another possibility under study is the exploitation of specific chemotrophic bacteria, such as Ralstonia eutropha (or picketii) and related organisms, for CO2 fixation coupled with the production chemicals such as polyhydroxyalkanoates (PHAs). In spite of the potential of these processes, multiple factors still have to be optimized for maximum rate of CO2 fixation by these microorganisms. The optimization of culture conditions, including the optimal concentration of CO2 in the provided gas, the use of metabolic engineering and of dual purpose systems for the treatment of wastewater and production of biofuels and high value products within a biorefinery concept, the design of photobioreactors in the case of phototrophs are some of the issues that, among others, have to be addressed and tested for cost-effective CO2 sequestration.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347507800015 Publication Date 2013-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1871-6784; 1876-4347 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:123762 Serial 8242
Permanent link to this record
 
 
Author Kim, E.; Spooren, J.; Broos, K.; Horckmans, L.; Quaghebeur, M.; Vrancken, K.C.
Title Selective recovery of Cr from stainless steel slag by alkaline roasting followed by water leaching Type A1 Journal article
Year 2015 Publication Hydrometallurgy Abbreviated Journal
Volume 158 Issue Pages 139-148
Keywords (up) A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Selective chromium (Cr) leaching from stainless steel slag (SS slag) by alkali roasting followed by water leaching was investigated. The efficiency of the alkali roasting process for Cr leaching was increased by optimizing the mass ratio of alkaline agents (NaOH, and NaOH-NaNO3) to the slag, roasting temperature and time. At the optimum condition (0.67 mass ratio of NaOH to SS slag, 400 degrees C, 2 h) of NaOH roasting, chromium leaching was around 83%, while the matrix material was dissolved only to a limited extent (Si 8.0%). Mechanical activation of the SS slag prior to roasting reduced the optimum NaOH to SS slag mass ratio to 0.4. The addition of NaNO3 as an oxidant to the NaOH salt increased Cr leaching to 89% after roasting at 400 degrees C for 2 h. The remaining Cr phases in the residue were almost exclusively FeCr alloys. Further chromium dissolution from these alloys is prevented by a passivation layer of Fe oxides as shown by SEM/EDS images. Based on these results, a SS slag recycling process is suggested in which roasting-water leaching followed by water washing to remove Cr yields a residue which has potential for application as a construction material. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000366768000019 Publication Date 2015-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-386x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:130223 Serial 8504
Permanent link to this record
 
 
Author Ramakers, M.; Michielsen, I.; Aerts, R.; Meynen, V.; Bogaerts, A.
Title Effect of argon or helium on the CO2 conversion in a dielectric barrier discharge Type A1 Journal article
Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 12 Issue 12 Pages 755-763
Keywords (up) A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper demonstrates that the CO2 conversion in a dielectric barrier discharge rises drastically upon addition of Ar or He, and the effect is more pronounced for Ar than for He. The effective CO2 conversion, on the other hand, drops upon addition of Ar or He, which is logical due to the lower CO2 content in the gas mixture, and the same is true for the energy efficiency, because a considerable fraction of the energy is then consumed into ionization/excitation of Ar or He atoms. The higher absolute CO2 conversion upon addition of Ar or He can be explained by studying in detail the Lissajous plots and the current profiles. The breakdown voltage is lower in the CO2/Ar and CO2/He mixtures, and the discharge gap is more filled with plasma, which enhances the possibility for CO2 conversion. The rates of electron impact excitationdissociation of CO2, estimated from the electron densities and mean electron energies, are indeed higher in the CO2/Ar and (to a lower extent) in the CO2/He mixtures, compared to the pure CO2 plasma. Moreover, charge transfer between Ar+ or Ar2+ ions and CO2, followed by electron-ion dissociative recombination of the CO2+ ions, might also contribute to, or even be dominant for the CO2 dissociation. All these effects can explain the higher CO2 conversion, especially upon addition of Ar, but also upon addition of He.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000359672400007 Publication Date 2015-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 63 Open Access
Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
Call Number c:irua:126822 Serial 799
Permanent link to this record
 
 
Author Ranjbari, E.; Hadjmohammadi, M.R.; Kiekens, F.; De Wael, K.
Title Mixed hemi/ad-micelle sodium dodecyl sulfate-coated magnetic iron oxide nanoparticles for the efficient removal and trace determination of rhodamine-B and rhodamine-6G Type A1 Journal article
Year 2015 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 87 Issue 15 Pages 7894-7901
Keywords (up) A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Mixed hemi/ad-micelle sodium dodecyl sulfate (SDS)-coated magnetic iron oxide nanoparticles (MHAMS-MIONPs) were used as an efficient adsorbent for both removal and preconcentration of two important carcinogenic xanthine dyes named rhodamine-B (RB) and rhodamine-6G (RG). To gain insight in the configuration of SDS molecules on the surface of MIONPs, zeta potential measurements were performed in different [SDS]/[MIONP] ratios. Zeta potential data indicated that mixed hemi/ad-micelle MHAM was formed in [SDS]/[MIONP] ratios over the range of 1.1 to 7.3. Parameters affecting the adsorption of dyes were optimized as removal efficiency by one variable at-a-time and response surface methodology; the obtained removal efficiencies were ∼100%. Adsorption kinetic and equilibrium studies, under the optimum condition (pH = 2; amount of MIONPs = 87.15 mg; [SDS]/[MIONP] ratio = 2.9), showed that adsorption of both dyes are based on the pseudo-second-order and the Langmuir isotherm models, respectively. The maximum adsorption capacities for RB and RG were 385 and 323 mg g1, respectively. MHAMS-MIONPs were also applied for extraction of RB and RG. Under optimum conditions (pH = 2; amount of damped MHAMS-MIONPs = 90 mg; eluent solvent volume = 2.6 mL of 3% acetic acid in acetonitrile), extraction recoveries for 0.5 mg L1 of RB and RG were 98% and 99%, with preconcentration factors of 327 and 330, respectively. Limit of detection obtained for rhodamine dyes were <0.7 ng mL1. Finally, MHAMS-MIONPs were successfully applied for both removal and trace determination of RB and RG in environmental and wastewater samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000359277900056 Publication Date 2015-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 36 Open Access
Notes ; ; Approved Most recent IF: 6.32; 2015 IF: 5.636
Call Number UA @ admin @ c:irua:126583 Serial 5730
Permanent link to this record
 
 
Author Ayalew, E.; Gebre, Y.; De Wael, K.
Title A survey of occupational exposure to inhalable wood dust among workers in small- and medium-scale wood-processing enterprises in Ethiopia Type A1 Journal article
Year 2015 Publication The annals of occupational hygiene Abbreviated Journal Ann Occup Hyg
Volume 59 Issue 2 Pages 253-257
Keywords (up) A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A study of wood dust exposure in 20 small- and medium-scale wood-processing enterprises was performed in Ethiopia. Sampling was conducted daily from January to June, 2013 and a total of 360 samples from 113 workers were collected with Institute of Occupational Medicine (IOM) personal samplers. Eight-hour time-weighted average exposure to wood dust ranged from 0.24 to 23.3mg m−3 with a geometric mean (GM) of 6.82mg m−3 and a geometric standard deviation of 1.82. Although Ethiopia did not have any defined standard of Occupational Exposure Limit for wood dust exposure, 71% of the measurements exceeded the limit of 5mg m−3 set by the European Union (EU). Higher than the EU exposure limit was measured while workers perform sanding and sawing activities with a GM of 9.72 and 7.60mg m−3, respectively. In conclusion, wood workers in the small- and medium-scale enterprises are at a higher risk of developing different respiratory health problems with continuous exposure trends.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352158700011 Publication Date 2014-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-4878 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.71 Times cited 4 Open Access
Notes ; Eyasu Ayalew thanks the Addis Ababa University (Center for Environmental Sciences) for the personal grant for independent study. ; Approved Most recent IF: 1.71; 2015 IF: 2.101
Call Number UA @ admin @ c:irua:119739 Serial 5857
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Author Daems, D.; van Nuijs, A.L.N.; Covaci, A.; Hamidi-Asl, E.; Van Camp, G.; Nagels, L.J.
Title Potentiometric detection in UPLC as an easy alternative to determine cocaine in biological samples Type A1 Journal article
Year 2015 Publication Biomedical chromatography Abbreviated Journal
Volume 29 Issue 7 Pages 1124-1129
Keywords (up) A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract The analytical methods which are often used for the determination of cocaine in complex biological matrices are a prescreening immunoassay and confirmation by chromatography combined with mass spectrometry. We suggest an ultra-high-pressure liquid chromatography combined with a potentiometric detector, as a fast and practical method to detect and quantify cocaine in biological samples. An adsorption/desorption model was used to investigate the usefulness of the potentiometric detector to determine cocaine in complex matrices. Detection limits of 6.3ngmL(-1) were obtained in plasma and urine, which is below the maximum residue limit (MRL) of 25ngmL(-1). A set of seven plasma samples and 10 urine samples were classified identically by both methods as exceeding the MRL or being inferior to it. The results obtained with the UPLC/potentiometric detection method were compared with the results obtained with the UPLC/MS method for samples spiked with varying cocaine concentrations. The intraclass correlation coefficient was 0.997 for serum (n =7) and 0.977 for urine (n =8). As liquid chromatography is an established technique, and as potentiometry is very simple and cost-effective in terms of equipment, we believe that this method is potentially easy, inexpensive, fast and reliable. Copyright (c) 2014 John Wiley & Sons, Ltd.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356694000020 Publication Date 2014-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0269-3879 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:127069 Serial 8396
Permanent link to this record
 
 
Author Amiri-Aref, M.; Raoof, J.B.; Kiekens, F.; De Wael, K.
Title Mixed hemi/ad-micelles coated magnetic nanoparticles for the entrapment of hemoglobin at the surface of a screen-printed carbon electrode and its direct electrochemistry and electrocatalysis Type A1 Journal article
Year 2015 Publication Biosensors and bioelectronics Abbreviated Journal Biosens Bioelectron
Volume 74 Issue Pages 518-525
Keywords (up) A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract An efficient procedure for the physical entrapment of proteins within a biocompatible matrix and their immobilization on electrode surfaces is of utmost importance in the fabrication of biosensors. In this work, the magnetic entrapment of hemoglobin (Hb) at the surface of a screen-printed carbon electrode (SPCE), through mixed hemi/ad-micelles (MHAM) array of positively charged surfactant supported iron oxide magnetic nanoparticles (Mag-NPs), is reported. The Hb/MHAM@Mag-NPs biocomposite is captured at SPCE by a super magnet (Hb/MHAM@Mag-NPs/SPCE). To gain insight in the configuration of the mixed hemi/ad-micelles of CTAB at Mag-NPs, zeta-potential measurements were performed. The entrapment of Hb at MHAM@Mag-NPs was confirmed by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and Fourier transform infrared spectroscopy (FT-IR). Direct electron transfer of the Hb intercalated into the composite film showed a pair of well-defined quasi-reversible redox peak at formal potential of −0.255 V vs. Ag/AgCl corresponding to heme Fe(III)/Fe(II) redox couple. It shows that the MHAM@Mag-NPs composite could increase the adsorption ability for Hb, thus provides a facile direct electron transfer between the Hb and the substrate. The proposed biosensor showed excellent electrocatalytic activity to the H2O2 reduction in the wide concentration range from 5.0 to 300.0 µM obtained by amperometric measurement. The MichaelisMenten constant (Km) value of Hb at the modified electrode is 55.4 µM, showing its high affinity. Magnetic entrapment offers a promising design for fast, convenient and effective immobilization of protein within a few minutes for determination of the target molecule in low sample volume at disposable cost-effective SPCE.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000360772800071 Publication Date 2015-07-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0956-5663 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.78 Times cited 14 Open Access
Notes ; We are thankful for the BOF financial support from the University of Antwerp and Hercules financial support (SEM). ; Approved Most recent IF: 7.78; 2015 IF: 6.409
Call Number UA @ admin @ c:irua:126535 Serial 5731
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Author Kolev, S.; Bogaerts, A.
Title A 2D model for a gliding arc discharge Type A1 Journal article
Year 2015 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 24 Issue 24 Pages 015025
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000348298200026 Publication Date 2014-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 34 Open Access
Notes Approved Most recent IF: 3.302; 2015 IF: 3.591
Call Number c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538 Serial 3
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Author Zhao, S.-X.; Zhang, Y.-R.; Gao, F.; Wang, Y.-N.; Bogaerts, A.
Title Bulk plasma fragmentation in a C4F8 inductively coupled plasma : a hybrid modelling study Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 117 Issue 117 Pages 243303
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A hybrid model is used to investigate the fragmentation of C4F8 inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. CxFy (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C4F8 inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C4F8 reaction set used in the model. The C4F8 plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000357613900009 Publication Date 2015-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 11 Open Access
Notes Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:126477 Serial 261
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Author Aerts, R.; Somers, W.; Bogaerts, A.
Title Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study Type A1 Journal article
Year 2015 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 8 Issue 8 Pages 702-716
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000349954400019 Publication Date 2015-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.226 Times cited 131 Open Access
Notes Approved Most recent IF: 7.226; 2015 IF: 7.657
Call Number c:irua:123930 Serial 279
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Author Tinck, S.; Tillocher, T.; Dussart, R.; Bogaerts, A.
Title Cryogenic etching of silicon with SF6 inductively coupled plasmas: a combined modelling and experimental study Type A1 Journal article
Year 2015 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 48 Issue 48 Pages 155204
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A hybrid Monte Carlofluid model is applied to simulate the wafer-temperature-dependent etching of silicon with SF6 inductively coupled plasmas (ICP). The bulk plasma within the ICP reactor volume as well as the surface reactions occurring at the wafer are self-consistently described. The calculated etch rates are validated by experiments. The calculations and experiments are performed at two different wafer temperatures, i.e. 300 and 173 K, resembling conventional etching and cryoetching, respectively. In the case of cryoetching, a physisorbed SFx layer (x = 06) is formed on the wafer, which is negligible at room temperature, because of fast thermal desorption, However, even in the case of cryoetching, this layer can easily be disintegrated by low-energy ions, so it does not affect the etch rates. In the investigated pressure range of 19 Pa, the etch rate is always slightly higher at cryogenic conditions, both in the experiments and in the model, and this could be explained in the model due to a local cooling of the gas above the wafer, making the gas denser and increasing the flux of reactive neutrals, like F and F2, towards the wafer.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000351856600009 Publication Date 2015-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 9 Open Access
Notes Approved Most recent IF: 2.588; 2015 IF: 2.721
Call Number c:irua:124209 Serial 551
Permanent link to this record
 
 
Author Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G.
Title Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis Type A1 Journal article
Year 2015 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 24 Issue 24 Pages 025004
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000356816200008 Publication Date 2015-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 11 Open Access
Notes Approved Most recent IF: 3.302; 2015 IF: 3.591
Call Number c:irua:123534 Serial 704
Permanent link to this record
 
 
Author Zhao, S.-X.; Gao, F.; Wang, Y.-P.; Wang, Y.-N.; Bogaerts, A.
Title Effects of feedstock availability on the negative ion behavior in a C4F8 inductively coupled plasma Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 118 Issue 118 Pages 033301
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, the negative ion behavior in a C4F8 inductively coupled plasma (ICP) is investigated using a hybrid model. The model predicts a non-monotonic variation of the total negative ion density with power at low pressure (1030 mTorr), and this trend agrees well with experiments that were carried out in many fluorocarbon (fc) ICP sources, like C2F6, CHF3, and C4F8. This behavior is explained by the availability of feedstock C4F8 gas as a source of the negative ions, as well as by the presence of low energy electrons due to vibrational excitation at low power. The maximum of the negative ion density shifts to low power values upon decreasing pressure, because of the more pronounced depletion of C4F8 molecules, and at high pressure (∼50 mTorr), the anion density continuously increases with power, which is similar to fc CCP sources. Furthermore, the negative ion composition is identified in this paper. Our work demonstrates that for a clear understanding of the negative ion behavior in radio frequency C4F8 plasma sources, one needs to take into account many factors, like the attachment characteristics, the anion composition, the spatial profiles, and the reactor configuration. Finally, a detailed comparison of our simulation results with experiments is conducted.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000358429200004 Publication Date 2015-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 1 Open Access
Notes Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:126735 Serial 861
Permanent link to this record
 
 
Author Xie, L.; Brault, P.; Coutanceau, C.; Bauchire, J.-M.; Caillard, A.; Baranton, S.; Berndt, J.; Neyts, E.C.
Title Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study Type A1 Journal article
Year 2015 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 162 Issue 162 Pages 21-26
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Ptsubstrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000343686900003 Publication Date 2014-06-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 20 Open Access
Notes Approved Most recent IF: 9.446; 2015 IF: 7.435
Call Number c:irua:117949 Serial 874
Permanent link to this record
 
 
Author Liu, Y.-X.; Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N.
Title Electromagnetic effects in high-frequency large-area capacitive discharges : a review Type A1 Journal article
Year 2015 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
Volume 33 Issue 33 Pages 020801
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength k in the plasma becomes comparable to the electrode radius, and the plasma skin depth d becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwells equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.
Address
Corporate Author Thesis
Publisher A v s amer inst physics Place of Publication Melville Editor
Language Wos 000355739500007 Publication Date 2015-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0734-2101;1520-8559; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.374 Times cited 10 Open Access
Notes Approved Most recent IF: 1.374; 2015 IF: 2.322
Call Number c:irua:123541 Serial 903
Permanent link to this record
 
 
Author Kozák, T.; Bogaerts, A.
Title Evaluation of the energy efficiency of CO2 conversion in microwave discharges using a reaction kinetics model Type A1 Journal article
Year 2015 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 24 Issue 24 Pages 015024
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000348298200025 Publication Date 2014-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 100 Open Access
Notes Approved Most recent IF: 3.302; 2015 IF: 3.591
Call Number c:irua:122243 Serial 1087
Permanent link to this record
 
 
Author Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G.
Title Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations Type A1 Journal article
Year 2015 Publication ECS journal of solid state science and technology Abbreviated Journal Ecs J Solid State Sc
Volume 4 Issue 4 Pages N3127-N3133
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved.
Address
Corporate Author Thesis
Publisher Electrochemical society Place of Publication Pennington (N.J.) Editor
Language Wos 000349547900018 Publication Date 2014-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2162-8769;2162-8777; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.787 Times cited 19 Open Access
Notes Approved Most recent IF: 1.787; 2015 IF: 1.558
Call Number c:irua:125296 Serial 1150
Permanent link to this record
 
 
Author Zhang, Y.-R.; Gao, F.; Li, X.-C.; Bogaerts, A.; Wang, Y.-N.
Title Fluid simulation of the bias effect in inductive/capacitive discharges Type A1 Journal article
Year 2015 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
Volume 33 Issue 33 Pages 061303
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Computer simulations are performed for an argon inductively coupled plasma (ICP) with a capacitive radio-frequency bias power, to investigate the bias effect on the discharge mode transition and on the plasma characteristics at various ICP currents, bias voltages, and bias frequencies. When the bias frequency is fixed at 13.56 MHz and the ICP current is low, e.g., 6A, the spatiotemporal averaged plasma density increases monotonically with bias voltage, and the bias effect is already prominent at a bias voltage of 90 V. The maximum of the ionization rate moves toward the bottom electrode, which indicates clearly the discharge mode transition in inductive/capacitive discharges. At higher ICP currents, i.e., 11 and 13 A, the plasma density decreases first and then increases with bias voltage, due to the competing mechanisms between the ion acceleration power dissipation and the capacitive power deposition. At 11 A, the bias effect is still important, but it is noticeable only at higher bias voltages. At 13 A, the ionization rate is characterized by a maximum at the reactor center near the dielectric window at all selected bias voltages, which indicates that the ICP power, instead of the bias power, plays a dominant role under this condition, and no mode transition is observed. Indeed, the ratio of the bias power to the total power is lower than 0.4 over a wide range of bias voltages, i.e., 0300V. Besides the effect of ICP current, also the effect of various bias frequencies is investigated. It is found that the modulation of the bias power to the spatiotemporal distributions of the ionization rate at 2MHz is strikingly different from the behavior observed at higher bias frequencies. Furthermore, the minimum of the plasma density appears at different bias voltages, i.e., 120V at 2MHz and 90V at 27.12 MHz.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000365503800020 Publication Date 2015-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0734-2101;1520-8559; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.374 Times cited 9 Open Access
Notes Approved Most recent IF: 1.374; 2015 IF: 2.322
Call Number c:irua:126824 Serial 1229
Permanent link to this record
 
 
Author Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C.
Title How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations Type A1 Journal article
Year 2015 Publication Biointerphases Abbreviated Journal Biointerphases
Volume 10 Issue 10 Pages 029501
Keywords (up) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The application of nonthermal atmospheric pressure plasma is emerging as an alternative and efficient technique for the inactivation of bacterial biofilms. In this study, reactive molecular dynamics simulations were used to examine the reaction mechanisms of hydroxyl radicals, as key reactive oxygen plasma species in biological systems, with several organic molecules (i.e., alkane, alcohol, carboxylic acid, and amine), as prototypical components of biomolecules in the biofilm. Our results demonstrate that organic molecules containing hydroxyl and carboxyl groups may act as trapping agents for the OH radicals. Moreover, the impact of OH radicals on N-acetyl-glucosamine, as constituent component of staphylococcus epidermidis biofilms, was investigated. The results show how impacts of OH radicals lead to hydrogen abstraction and subsequent molecular damage. This study thus provides new data on the reaction mechanisms of plasma species, and particularly the OH radicals, with fundamental components of bacterial biofilms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000357195600019 Publication Date 2014-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1934-8630;1559-4106; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.603 Times cited 10 Open Access
Notes Approved Most recent IF: 2.603; 2015 IF: 3.374
Call Number c:irua:121371 Serial 1492
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