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Author van Straaten, M.; Vertes, A.; Gijbels, R.
Title Sample erosion studies in a glow discharge ionization cell Type (down) A3 Journal article
Year 1991 Publication Spectrochimica acta Abbreviated Journal
Volume 46b Issue Pages 283
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0371-1951; 0371-1951 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:702 Serial 2940
Permanent link to this record
 
 
Author Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; Gijbels, R.; van Grieken, R.
Title Statistical grouping and controlling factors of dissolved trace elements in a surface water system Type (down) A3 Journal article
Year 1983 Publication Environmental technology letters Abbreviated Journal
Volume 4 Issue 8/9 Pages 363-376
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Sensitive multi‐element analytical techniques were applied to determine 24 dissolved trace components in 25 different water samples from a 10 km2 zone in Brittany, France. Correspondence factor and multiple regression analyses showed that the elements considered are influenced mainly by the presence of: Fe‐Mn oxide accumulations, a local poly‐metallic sulfide mineralization, and non‐mineralized host rocks, agricultural activity and abundant organic material in local swamps. Via these numerical techniques the location of the poly‐metallic ore body can be derived from the data set.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 2008-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-2060; ISBN Additional Links UA library record
Impact Factor Times cited 1 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:111443 Serial 3157
Permanent link to this record
 
 
Author Wu, S.; van Daele, A.; Jacob, W.; Gijbels, R.; Verbeeck, A.; de Keyzer, R.
Title Structural analysis of silver halide cubic microcrystals with epitaxial or conversion growths by STEM-EDX Type (down) A3 Journal article
Year 1992 Publication Mikrochimica acta: supplementum Abbreviated Journal
Volume 12 Issue Pages 261-268
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Wien Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0076-8642 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:3734 Serial 3188
Permanent link to this record
 
 
Author Pentcheva, E.; Veldeman, E.; Van 't dack, L.; Gijbels, R.
Title Sur les processus, controlant le caractère hydrochimique des eaux thermales profondes (Bulgarie Méridionale) Type (down) A3 Journal article
Year 1991 Publication Comptes rendus de l'Académie bulgare des sciences Abbreviated Journal
Volume 44 Issue Pages 51-54
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:708 Serial 3389
Permanent link to this record
 
 
Author Vandelannoote, R.; Van 't dack, L.; Gijbels, R.
Title Trace element and micro-mineral composition of some selected anhydrite samples from the Saint Ghislain drill hole (Hainaut, Belgium) Type (down) A3 Journal article
Year 1986 Publication Bulletin van de Belgische Vereniging voor Geologie Abbreviated Journal
Volume 95 Issue Pages 101-109
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bruxelles Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-1807 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:111504 Serial 3689
Permanent link to this record
 
 
Author Herrebout, D.; Bogaerts, A.; Gijbels, R.
Title Modelleren van plasmas gebruikt voor de afzetting van dunne lagen Type (down) A2 Journal article
Year 2004 Publication Chemie magazine Abbreviated Journal
Volume Issue 2 Pages 34-38
Keywords A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-7651 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:82302 Serial 2149
Permanent link to this record
 
 
Author Sorée, B.; Magnus, W.; Szepieniec, M.; Vandenbreghe, W.; Verhulst, A.; Pourtois, G.; Groeseneken, G.; de Gendt, S.; Heyns, M.
Title Novel device concepts for nanotechnology : the nanowire pinch-off FET and graphene tunnelFET Type (down) A2 Journal article
Year 2010 Publication ECS transactions Abbreviated Journal
Volume 28 Issue Pages 15-26
Keywords A2 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We explain the basic operation of a nanowire pinch-off FET and graphene nanoribbon tunnelFET. For the nanowire pinch-off FET we construct an analytical model to obtain the threshold voltage as a function of radius and doping density. We use the gradual channel approximation to calculate the current-voltage characteristics of this device and we show that the nanowire pinch-off FET has a subthreshold slope of 60 mV/dec and good ION and ION/IOFF ratios. For the graphene nanoribbon tunnelFET we show that an improved analytical model yields more realistic results for the transmission probability and hence the tunneling current. The first simulation results for the graphene nanoribbon tunnelFET show promising subthreshold slopes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1938-5862 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:89510 Serial 2375
Permanent link to this record
 
 
Author Adriaensen, L.; Vangaever, F.; Gijbels, R.
Title Organische TOF-S-SIMS: gebruik van opgedampt Ag en Au voor de verhoging van secundaire ionenintensiteiten Type (down) A2 Journal article
Year 2004 Publication Chemie magazine Abbreviated Journal
Volume Issue Pages 10-12
Keywords A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Gent Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-7651 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:51979 Serial 2511
Permanent link to this record
 
 
Author Paulussen, S.; Sels, B.; Bogaerts, A.; Paul, J.
Title Een tweede leven voor broeikasgassen? Type (down) A2 Journal article
Year 2008 Publication Het ingenieursblad : maandblad van de Koninklijke Vlaamse Ingenieursvereniging KVIV Abbreviated Journal
Volume 77 Issue 3 Pages 16-20
Keywords A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1235 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:82308 Serial 3765
Permanent link to this record
 
 
Author Zaryouh, H.; Verswyvel, H.; Bauwens, M.; Van Haesendonck, G.; Deben, C.; Lin, A.; De Waele, J.; Vermorken, J.B.; Koljenovic, S.; Bogaerts, A.; Lardon, F.; Smits, E.; Wouters, A.
Title De belofte van hoofdhalskankerorganoïden in kankeronderzoek : een blik op de toekomst Type (down) A2 Journal article
Year 2023 Publication Onco-hemato : multidisciplinair tijdschrift voor oncologie Abbreviated Journal
Volume 17 Issue 7 Pages 54-58
Keywords A2 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Hoofd-halskanker vormt een aanzienlijke uitdaging met bijna 900.000 nieuwe diagnoses per jaar, waarbij de jaarlijkse incidentie blijft stijgen. Vaak wordt de diagnose pas in een laat stadium gesteld, wat complexe behandelingen noodzakelijk maakt. Terugval van patiënten is helaas een veelvoorkomend probleem. De gemiddelde overlevingsduur is beperkt tot enkele maanden. Daarom is er een dringende behoefte om nieuwe, veelbelovende behandelingen te ontwikkelen voor patiënten met hoofd-halskanker. Voor het bereiken van deze vooruitgang spelen innovatieve studiemodellen een cruciale rol. Het ontwikkelen van deze nieuwe behandelingen start met laboratoriumonderzoek, waarbij traditionele tweedimensionale celculturen hun beperkingen hebben. Daarom verschuiven onderzoekers hun aandacht meer en meer naar geavanceerdere driedimensionale modellen, met hoofd-halskankerorganoïden als beloftevol nieuw model. Dit model behoudt immers zowel het genetische profiel als de morfologische kenmerken van de originele tumor van de hoofd-halskankerpatiënt. Hoofdhalskankerorganoïden bieden daarom de mogelijkheid om innovatieve behandelingen te testen en kunnen mogelijk zelfs de respons van een patiënt op bepaalde therapieën voorspellen. Hoewel tumororganoïden als ‘patiënt-in-het-lab’ veelbelovend zijn, zijn er uitdagingen te overwinnen, zoals de ontwikkelingstijd en de toepasbaarheid bij alle tumortypes, evenals het ontbreken van immuuncellen en andere micro-omgevingscomponenten. Er is daarom een grote behoefte aan gestandaardiseerde protocollen voor de ontwikkeling van organoïden en verkorting van de ontwikkelingstijd. Concluderend bieden driedimensionale hoofd-halskankerorganoïden een veelbelovend perspectief voor de toekomst van kankerbehandelingen. Ze hebben het potentieel om bij te dragen aan de ontwikkeling van gepersonaliseerde behandelingen en zo de overlevingskansen van kankerpatiënten te verbeteren. Het is echter belangrijk om hun voorspellend vermogen en toepassingsmogelijkheden verder te onderzoeken, voordat ze op grote schaal worden geïmplementeerd.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2030-2738 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202271 Serial 9004
Permanent link to this record
 
 
Author Oliveira, M.C.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A.
Title Unraveling the permeation of reactive species across nitrated membranes by computer simulations Type (down) A1 Journal Article;Reactive oxygen and nitrogen species
Year 2021 Publication Computers In Biology And Medicine Abbreviated Journal Comput Biol Med
Volume 136 Issue Pages 104768
Keywords A1 Journal Article;Reactive oxygen and nitrogen species; Nitro-oxidative stress; Molecular dynamics simulations; Nitrated membranes; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Reactive oxygen and nitrogen species (RONS) are involved in many biochemical processes, including nitrooxidative stress that causes cancer cell death, observed in cancer therapies such as photodynamic therapy and cold atmospheric plasma. However, their mechanisms of action and selectivity still remain elusive due to the complexity of biological cells. For example, it is not well known how RONS generated by cancer therapies permeate the cell membrane to cause nitro-oxidative damage. There are many studies dedicated to the perme­ation of RONS across native and oxidized membranes, but not across nitrated membranes, another lipid product also generated during nitro-oxidative stress. Herein, we performed molecular dynamics (MD) simulations to calculate the free energy barrier of RONS permeation across nitrated membranes. Our results show that hy­drophilic RONS, such as hydroperoxyl radical (HO2) and peroxynitrous acid (ONOOH), have relatively low barriers compared to hydrogen peroxide (H2O2) and hydroxyl radical (HO), and are more prone to permeate the membrane than for the native or peroxidized membranes, and similar to aldehyde-oxidized membranes. Hy­drophobic RONS like molecular oxygen (O2), nitrogen dioxide (NO2) and nitric oxide (NO) even have insignif­icant barriers for permeation. Compared to native and peroxidized membranes, nitrated membranes are more permeable, suggesting that we must not only consider oxidized membranes during nitro-oxidative stress, but also nitrated membranes, and their role in cancer therapies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000696938800003 Publication Date 2021-08-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4825 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.836 Times cited Open Access OpenAccess
Notes We thank University of Antwerp and Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted and for providing the computational resources needed for completion of this work. M. Yusupov acknowledges the Flanders Research Foundation (grant 1200219N) for financial support. Approved Most recent IF: 1.836
Call Number PLASMANT @ plasmant @c:irua:181082 Serial 6807
Permanent link to this record
 
 
Author Van Alphen, S.; Slaets, J.; Ceulemans, S.; Aghaei, M.; Snyders, R.; Bogaerts, A.
Title Effect of N2 on CO2-CH4 conversion in a gliding arc plasmatron: Can this major component in industrial emissions improve the energy efficiency? Type (down) A1 Journal Article;Plasma-based CO2-CH4 conversion
Year 2021 Publication Journal Of Co2 Utilization Abbreviated Journal J Co2 Util
Volume 54 Issue Pages 101767
Keywords A1 Journal Article;Plasma-based CO2-CH4 conversion; Effect of N2; Plasma chemistry; Computational modelling; Gliding arc plasmatron; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma-based CO2 and CH4 conversion is gaining increasing interest, and a great portion of research is dedicated to adapting the process to actual industrial conditions. In an industrial context, the process needs to be able to process N2 admixtures, since most industrial gas emissions contain significant amounts of N2, and gas separations are financially costly. In this paper we therefore investigate the effect of N2 on the CO2 and CH4 conversion in a gliding arc plasmatron reactor. The addition of 20 % N2 reduces the energy cost of the conversion process by 21 % compared to a pure CO2/CH4 mixture, from 2.9 down to 2.2 eV/molec (or from 11.5 to 8.7 kJ/L), yielding a CO2 and CH4 (absolute) conversion of 28.6 and 35.9 % and an energy efficiency of 58 %. These results are among the best reported in literature for plasma-based DRM, demonstrating the benefits of N2 present in the mix. Compared to DRM results in different plasma reactor types, a low energy cost was achieved. To understand the underlying mechanisms of N2 addition, we developed a combination of four different computational models, which reveal that the beneficial effect of N2 addition is attributed to (i) a rise in the electron density (increasing the plasma conductivity, and therefore reducing the plasma power needed to sustain the plasma, which reduces the energy cost), as well as (ii) a rise in the gas temperature, which accelerates the CO2 and CH4 conversion reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000715057300005 Publication Date 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.292 Times cited Open Access OpenAccess
Notes This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innova­ tion programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and through long-term structural fund­ing (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Ant­werpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:184044 Serial 6827
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption Type (down) A1 Journal Article;plasma catalysis
Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 54 Issue 39 Pages 394004
Keywords A1 Journal Article;plasma catalysis; vibrational nonequilibrium; dissociative chemisorption; free energy barriers; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract The rate, selectivity and efficiency of plasma-based conversion processes is strongly affected by nonequilibrium phenomena. High concentrations of vibrationally excited molecules are such a plasma-induced effect. It is frequently assumed that vibrationally excited molecules are important in plasma catalysis because their presence lowers the apparent activation energy of dissociative chemisorption reactions and thus increases the conversion rate. A detailed atomic-level understanding of vibrationally stimulated catalytic reactions in the context of plasma catalysis is however lacking. Here, we couple a recently developed statistical model of a plasma-induced vibrational nonequilibrium to molecular dynamics simulations, enhanced sampling methods, and machine learning techniques. We quantify the impact of a vibrational nonequilibrium on the dissociative chemisorption barrier of H2 and CH4 on nickel catalysts over a wide range of vibrational temperatures. We investigate the effect of surface structure and compare the role of different vibrational modes of methane in the dissociation process. For low vibrational temperatures, very high vibrational efficacies are found, and energy in bend vibrations appears to dominate the dissociation of methane. The relative impact of vibrational nonequilibrium is much higher on terrace sites than on surface steps. We then show how our simulations can help to interpret recent experimental results, and suggest new paths to a better understanding of plasma catalysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000674464100001 Publication Date 2021-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 12ZI420N ; K M B was funded as a junior postdoctoral fellow of the FWO (Research Foundation—Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. HLDA calculations were performed with a script provided by G Piccini. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:179830 Serial 6808
Permanent link to this record
 
 
Author Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A.
Title Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions Type (down) A1 Journal Article;Plasma catalysis
Year 2021 Publication Acs Sustainable Chemistry & Engineering Abbreviated Journal Acs Sustain Chem Eng
Volume 9 Issue 39 Pages 13151-13163
Keywords A1 Journal Article;Plasma catalysis; Eley−Rideal reactions; Volcano plots; Vibrational excitation; Radical reactions; Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma catalysis is an emerging new technology for the electrification and downscaling of NH3 synthesis. Increasing attention is being paid to the optimization of plasma catalysis with respect to the plasma conditions, the catalyst material, and their mutual interaction. In this work we use microkinetic models to study how the total conversion process is impacted by the combination of different plasma conditions and transition metal catalysts. We study how plasma-generated radicals and vibrationally excited N2 (present in a dielectric barrier discharge plasma) interact with the catalyst and impact the NH3 turnover frequencies (TOFs). Both filamentary and uniform plasmas are studied, based on plasma chemistry models that provided plasma phase speciation and vibrational distribution functions. The Langmuir−Hinshelwood reaction rate coefficients (i.e., adsorption reactions and subsequent reactions among adsorbates) are determined using conventional scaling relations. An additional set of Eley−Rideal reactions (i.e., direct reactions of plasma radicals with adsorbates) was added and a sensitivity analysis on the assumed reaction rate coefficients was performed. We first show the impact of different vibrational distribution functions on the catalytic dissociation of N2 and subsequent production of NH3, and we gradually include more radical reactions, to illustrate the contribution of these species and their corresponding reaction pathways. Analysis over a large range of catalysts indicates that different transition metals (metals such as Rh, Ni, Pt, and Pd) optimize the NH3TOFs depending on the population of the vibrational levels of N2. At higher concentrations of plasma-generated radicals, the NH3 TOFs become less dependent on the catalyst material, due to radical adsorptions on the more noble catalysts and Eley−Rideal reactions on the less noble catalysts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000705367800004 Publication Date 2021-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.951 Times cited Open Access OpenAccess
Notes Basic Energy Sciences, DE-SC0021107 ; Vlaamse regering, HBC.2019.0108 ; H2020 European Research Council, 810182 ; Methusalem project – University of Antwerp; Excellence of science FWO-FNRS, GoF9618n ; TOP-BOF – University of Antwerp; DOCPRO3 – University of Antwerp; We acknowledge the financial support from the DOC-PRO3, the TOP-BOF, and the Methusalem project of the University of Antwerp, as well as from the European Research Council (ERC) (grant agreement No, 810182−SCOPE ERC Synergy project), under the European Union’s Horizon 2020 research and innovation programme, the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). Calculations were 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), 13162 Approved Most recent IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:182482 Serial 6811
Permanent link to this record
 
 
Author Van Loenhout, J.; Freire Boullosa, L.; Quatannens, D.; De Waele, J.; Merlin, C.; Lambrechts, H.; Lau, H.W.; Hermans, C.; Lin, A.; Lardon, F.; Peeters, M.; Bogaerts, A.; Smits, E.; Deben, C.
Title Auranofin and Cold Atmospheric Plasma Synergize to Trigger Distinct Cell Death Mechanisms and Immunogenic Responses in Glioblastoma Type (down) A1 Journal Article;oxidative stress
Year 2021 Publication Cells Abbreviated Journal Cells
Volume 10 Issue 11 Pages 2936
Keywords A1 Journal Article;oxidative stress; auranofin; cold atmospheric plasma; glioblastoma; cancer cell death; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Targeting the redox balance of malignant cells via the delivery of high oxidative stress unlocks a potential therapeutic strategy against glioblastoma (GBM). We investigated a novel reactive oxygen species (ROS)-inducing combination treatment strategy, by increasing exogenous ROS via cold atmospheric plasma and inhibiting the endogenous protective antioxidant system via auranofin (AF), a thioredoxin reductase 1 (TrxR) inhibitor. The sequential combination treatment of AF and cold atmospheric plasma-treated PBS (pPBS), or AF and direct plasma application, resulted in a synergistic response in 2D and 3D GBM cell cultures, respectively. Differences in the baseline protein levels related to the antioxidant systems explained the cell-line-dependent sensitivity towards the combination treatment. The highest decrease of TrxR activity and GSH levels was observed after combination treatment of AF and pPBS when compared to AF and pPBS monotherapies. This combination also led to the highest accumulation of intracellular ROS. We confirmed a ROS-mediated response to the combination of AF and pPBS, which was able to induce distinct cell death mechanisms. On the one hand, an increase in caspase-3/7 activity, with an increase in the proportion of annexin V positive cells, indicates the induction of apoptosis in the GBM cells. On the other hand, lipid peroxidation and inhibition of cell death through an iron chelator suggest the involvement of ferroptosis in the GBM cell lines. Both cell death mechanisms induced by the combination of AF and pPBS resulted in a significant increase in danger signals (ecto-calreticulin, ATP and HMGB1) and dendritic cell maturation, indicating a potential increase in immunogenicity, although the phagocytotic capacity of dendritic cells was inhibited by AF. In vivo, sequential combination treatment of AF and cold atmospheric plasma both reduced tumor growth kinetics and prolonged survival in GBM-bearing mice. Thus, our study provides a novel therapeutic strategy for GBM to enhance the efficacy of oxidative stress-inducing therapy through a combination of AF and cold atmospheric plasma.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000807134000001 Publication Date 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4409 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Olivia Hendrickx Research Fund, 21OCL06 ; University of Antwerp, FFB160231 ; The authors would express their gratitude to Hans de Reu for technical assistance with flow cytometry. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:182915 Serial 6826
Permanent link to this record
 
 
Author Bahnamiri, O.S.; Verheyen, C.; Snyders, R.; Bogaerts, A.; Britun, N.
Title Nitrogen fixation in pulsed microwave discharge studied by infrared absorption combined with modelling Type (down) A1 Journal Article;nitrogen fixation
Year 2021 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume 30 Issue 6 Pages 065007
Keywords A1 Journal Article;nitrogen fixation; pulsed microwave discharge; FTIR spectroscopy; discharge modelling; vibrational excitation; NO yield; energy cost; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract A pulsed microwave surfaguide discharge operating at 2.45 GHz was used for the conversion of molecular nitrogen into valuable compounds in several gas mixtures: N2 :O2 , N2 :O2 :CO2 and N2 :CO2 . The ro-vibrational absorption bands of the molecular species were monitored by a Fourier transform infrared apparatus in the post-discharge region in order to evaluate the relative number density of species, specifically NO production. The effects of specific energy input, pulse frequency, gas flow fraction, gas admixture and gas flow rate were studied for better understanding and optimization of the NO production yield and the corresponding energy cost (EC). By both the experiment and modelling, a highest NO yield is obtained at N2 :O2 (1:1) gas ratio in N2 :O2 mixture. The NO yield reveals a small growth followed by saturation when pulse repetition frequency increases. The energy efficiency start decreasing after the energy input reaches about 5 eV/molec, whereas the NO yield rises steadily at the same time. The lowest EC of about 8 MJ mol−1 corresponding to the yield and the energy efficiency of about 7% and 1% are found, respectively, in an optimum discharge condition in our case.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000659671000001 Publication Date 2021-06-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited Open Access OpenAccess
Notes Fonds De La Recherche Scientifique—FNRS, EOS O005118F ; The research is supported by the FNRS-FWO project ‘NITROPLASM’, EOS O005118F. O Samadi also acknowledges PhD student F Manaigo for cooperation in doing the additional measurements. Approved Most recent IF: 3.302
Call Number PLASMANT @ plasmant @c:irua:179170 Serial 6798
Permanent link to this record
 
 
Author Yi, Y.; Li, S.; Cui, Z.; Hao, Y.; Zhang, Y.; Wang, L.; Liu, P.; Tu, X.; Xu, X.; Guo, H.; Bogaerts, A.
Title Selective oxidation of CH4 to CH3OH through plasma catalysis: Insights from catalyst characterization and chemical kinetics modelling Type (down) A1 Journal Article;Methane conversion
Year 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ
Volume 296 Issue Pages 120384
Keywords A1 Journal Article;Methane conversion; Plasma catalysis; Selective oxidation; Methanol synthesis; Plasma chemistry; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract The selective oxidation of methane to methanol (SOMTM) by molecular oxygen is a holy grail in catalytic chemistry and remains a challenge in chemical industry. We perform SOMTM in a CH4/O2 plasma, at low temperature and atmospheric pressure, promoted by Ni-based catalysts, reaching 81 % liquid oxygenates selectivity and 50 % CH3OH selectivity, with an excellent catalytic stability. Chemical kinetics modelling shows that CH3OH in the plasma is mainly produced through radical reactions, i.e., CH4 + O(1D) → CH3O + H, fol­lowed by CH3O + H + M→ CH3OH + M and CH3O + HCO → CH3OH + CO. The catalyst characterization shows that the improved production of CH3OH is attributed to abundant chemisorbed oxygen species, originating from highly dispersed NiO phase with strong oxide support interaction with γ-Al2O3, which are capable of promoting CH3OH formation through E-R reactions and activating H2O molecules to facilitate CH3OH desorption.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000706860000003 Publication Date 2021-05-21
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 Open Access OpenAccess
Notes National Natural Science Foundation of China; PetroChina Innovation Foundation; We acknowledge financial support from the PetroChina Innovation Foundation [grant ID: 2018D-5007-0501], the Young Star Project of Dalian Science and Technology Bureau [grant ID: 2019RQ042], the National Natural Science Foundation of China [grant ID: 21503032] and the TOP research project of the Research Fund of the University of Antwerp [grant ID: 32249]. Approved Most recent IF: 9.446
Call Number PLASMANT @ plasmant @c:irua:178816 Serial 6793
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Author Ivanov, V.; Paunska, T.; Lazarova, S.; Bogaerts, A.; Kolev, S.
Title Gliding arc/glow discharge for CO2 conversion: Comparing the performance of different discharge configurations Type (down) A1 Journal Article;CO2 conversion
Year 2023 Publication Journal of CO2 Utilization Abbreviated Journal
Volume 67 Issue Pages 102300
Keywords A1 Journal Article;CO2 conversion; CO2 dissociation; Low current gliding arc; Magnetic stabilization; Magnetically stabilized discharge; Gliding glow discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract We studied the use of low current (hundreds of milliamperes) gliding arc/glow discharges for CO2 dissociation, at atmospheric pressure, in three different configurations. All of these are based on the gliding arc design with flat diverging electrodes. The discharge is mainly in the normal glow regime with contracted positive column. The CO2 gas is injected from a nozzle, at the closest separation between the electrodes. A pair of quartz glasses is placed on both sides of the electrodes, so that the gas flow is restricted to the active plasma area, between the electrodes. For two of the tested configurations, an external magnetic field was applied, to create a magnetic force, both in the direction of the gas flow, and opposite to the gas flow. In the first case, the arc is accelerated, shortening the period between ignition and extinction, while in the second case, it is stabilized (magneticallystabilized). We studied two quantities, namely the CO2 conversion and the energy efficiency of the conversion. Generally, the CO2 conversion decreases with increasing flow rate and increases with power. The energy effi­ciency increases with the flow rate, for all configurations. The magnetically-stabilized configuration is more stable and efficient at low gas flow rates, but has poor performance at high flow rates, while the non-stabilized configurations exhibit good conversion for a larger range of flow rates, but they are generally more unstable and less efficient.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000891249700001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.7 Times cited Open Access Not_Open_Access
Notes This work was supported by the Bulgarian National Science Fund, Ministry of Education and Science, research grant KP-06-OPR 04/4 from 14.12.2018 and by the European Regional Development Fund within the Operational Programme “Science and Education for Smart Growth 2014 – 2020″ under the Project CoE “National center of mechatronics and clean technologies” BG05M2OP001-1.001-0008. Approved Most recent IF: 7.7; 2023 IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:191816 Serial 7117
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Author Herrebout, D.; Bogaerts, A.; Yan, M.; Goedheer, W.; Dekempeneer, E.; Gijbels, R.
Title 1D fluid model for an rf methane plasma of interest in deposition of diamond-like carbon layers Type (down) A1 Journal article
Year 2001 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 90 Issue Pages 570-579
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000169660000007 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 83 Open Access
Notes Approved Most recent IF: 2.068; 2001 IF: 2.128
Call Number UA @ lucian @ c:irua:37250 c:irua:37250 c:irua:37250 c:irua:37250 Serial 2
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Author Kolev, S.; Bogaerts, A.
Title A 2D model for a gliding arc discharge Type (down) A1 Journal article
Year 2015 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 24 Issue 24 Pages 015025
Keywords 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 Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Ab initio spectroscopy and thermochemistry of the BN molecule Type (down) A1 Journal article
Year 1991 Publication Zeitschrift für Physik : D : atoms, molecules and clusters Abbreviated Journal
Volume 21 Issue Pages 47-55
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1991GA17200008 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0178-7683 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 17 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:714 Serial 34
Permanent link to this record
 
 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule Type (down) A1 Journal article
Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 222 Issue Pages 517-523
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994NN02600016 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 14 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10255 Serial 36
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Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type (down) A1 Journal article
Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 226 Issue 5/6 Pages 475-483
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994PE00500008 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 46 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10256 Serial 37
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Ab initio study of the structure, infrared spectra and heat of formation of C4 Type (down) A1 Journal article
Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 94 Issue Pages 3753-3761
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1991FA77800052 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.952 Times cited 62 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:715 Serial 38
Permanent link to this record
 
 
Author Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title An ab initio study of the C3+ cation using multireference methods Type (down) A1 Journal article
Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 95 Issue Pages 6530-6534
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record
Impact Factor 2.952 Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:720 Serial 39
Permanent link to this record
 
 
Author Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical Type (down) A1 Journal article
Year 1996 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 252 Issue 5/6 Pages 398-404
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1996UJ45000017 Publication Date 2003-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 28 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12328 Serial 40
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Accurate ab initio quartic force fields and thermochemistry of FNO and CINO Type (down) A1 Journal article
Year 1994 Publication The journal of physical chemistry Abbreviated Journal
Volume 98 Issue 44 Pages 11394-11400
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos A1994PP89400022 Publication Date 2005-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3654;1541-5740; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 21 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12310 Serial 44
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS Type (down) A1 Journal article
Year 1995 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc
Volume 169 Issue Pages 445-457
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995QD98400014 Publication Date 2002-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.482 Times cited 37 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12277 Serial 45
Permanent link to this record
 
 
Author Huygh, S.; Neyts, E.C.
Title Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies Type (down) 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 4908-4921
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000350840700052 Publication Date 2015-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 13 Open Access
Notes Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:124909 Serial 63
Permanent link to this record
 
 
Author van Cleempoel, A.; Joutsensaari, J.; Kauppinen, E.; Gijbels, R.; Claeys, M.
Title Aerosol synthesis and characterization of ultrafine fullerene particles Type (down) A1 Journal article
Year 1998 Publication Fullerene science and technology Abbreviated Journal Fullerene Sci Techn
Volume 6 Issue 4 Pages 599-627
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000074859200001 Publication Date 2008-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1064-122X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:24038 Serial 78
Permanent link to this record