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Author de Keyser, A.; Bogaerts, R.; van Bockstal, L.; Herlach, F.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G.
Title Modification of the 2D electronic properties in Si-δ-doped InSb due to surface effects Type P3 Proceeding
Year 1997 Publication Abbreviated Journal
Volume Issue Pages 383-386
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher World Scientific Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19303 Serial 2158
Permanent link to this record
 
 
Author de Bleecker, K.; Bogaerts, A.; Goedheer, W.J.
Title Nanoparticle growth and transport mechanisms in capacitively coupled silane discharges: a numerical investigation Type P1 Proceeding
Year 2005 Publication Abbreviated Journal
Volume Issue Pages 201-204
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Melville, N.Y. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:56576 Serial 2260
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title Numerical modelling of analytical glow discharges Type H3 Book chapter
Year 2003 Publication Abbreviated Journal
Volume Issue Pages 155-205
Keywords H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Wiley Place of Publication Chichester Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:40195 Serial 2400
Permanent link to this record
 
 
Author Petrovic, D.; Martens, T.; De Bie, C.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A.
Title Numerical study on energy efficiency of a cylindrical dielectric barrier discharge plasma-chemical reactor Type P1 Proceeding
Year 2009 Publication Abbreviated Journal
Volume Issue Pages 109
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:85694 Serial 2412
Permanent link to this record
 
 
Author Madani, M.; Bogaerts, A.; Gijbels, R.; Vangeneugden, D.
Title Parametric study by means of numerical modelling for a dielectric barrier discharge at atmospheric pressure in nitrogen Type P3 Proceeding
Year 2004 Publication Abbreviated Journal
Volume Issue Pages 49-52
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:82304 Serial 2554
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title Plasma models Type H3 Book chapter
Year 1997 Publication Abbreviated Journal
Volume Issue Pages 176-191
Keywords H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Wiley Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19610 Serial 2638
Permanent link to this record
 
 
Author Bogaerts, R.; de Keyser, A.; Herlach, F.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Brehmer, D.; Allen, S.J.
Title Quantum oscillations in the Hall effect of thin Sc1-xErxAs epitaxial layers burried in GaAs Type P3 Proceeding
Year 1995 Publication Abbreviated Journal
Volume Issue Pages 596-599
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher World Scientific Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12208 Serial 2782
Permanent link to this record
 
 
Author Gijbels, R.; Bogaerts, A.
Title Recent trends in solids mass spectrometry, with special emphasis on glow discharge mass spectrometry Type P3 Proceeding
Year 1996 Publication Abbreviated Journal
Volume Issue Pages 71-86
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Perfect Prints Place of Publication Thane Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:16244 Serial 2842
Permanent link to this record
 
 
Author Baguer, N.; Bogaerts, A.; Gijbels, R.
Title A self-consistent mathematical model of a hollow cathode glow discharge Type P1 Proceeding
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 157-158
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Polish Academyn of Sciences, Space Research Centre Place of Publication Warsaw Editor
Language Wos 000165992500079 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:103981 Serial 2972
Permanent link to this record
 
 
Author Herrebout, D.; Bogaerts, A.; Goedheer, W.; Dekempeneer, E.; Gijbels, R.
Title Simulation of plasma processes in plasma assisted CVD reactors Type P1 Proceeding
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 213-214
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000165992500107 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104309 Serial 3013
Permanent link to this record
 
 
Author Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kozák, T.
Title Computer modeling of a microwave discharge used for CO2 splitting Type P2 Proceeding
Year 2015 Publication Abbreviated Journal
Volume Issue Pages 41-50
Keywords P2 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher UCO Press Place of Publication Cordoba Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN 978-84-9927-187-3 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:135096 Serial 4154
Permanent link to this record
 
 
Author Berthelot, A.; Kolev, S.; Bogaerts, A.
Title Different pressure regimes of a surface-wave discharge in argon : a modelling investigation Type P2 Proceeding
Year 2015 Publication Abbreviated Journal
Volume Issue Pages 57-62
Keywords P2 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher UCO Press Place of Publication Cordoba Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN 978-84-9927-187-3 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:135094 Serial 4160
Permanent link to this record
 
 
Author Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J.
Title Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” Type Dataset
Year 2023 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be
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 (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:203389 Serial 9100
Permanent link to this record
 
 
Author De Luca, F.; Abate, S.; Bogaerts, A.; Centi, G.
Title Electrified CO2 conversion : integrating experimental, computational, and process simulation methods for sustainable chemical synthesis Type Doctoral thesis
Year 2024 Publication Abbreviated Journal
Volume Issue Pages xv, 152 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Nowadays, the burning of fossil fuels, particularly petroleum, natural gas, and coal, meets the rising need for power and fuels for automobiles and industries. This has given rise to ecological and climate challenges. This thesis explores these issues from three distinct perspectives: (i) experimental, (ii) computational, and (iii) process simulation, with a focus on studying CO2 as an alternative and economically viable raw material. Firstly, the experimental study is focused on the synthesis, characterization, and testing of novel catalysts for electroreduction of CO2 and oxalic acid, an intermediate product of CO2. Electrocatalysts based on Cu supported by citrus (orange and lemon) peel biomass are prepared. These catalysts exhibit activity in the electrochemical reduction of CO2, emphasizing the effectiveness of biomasses, particularly orange peels, as environmentally friendly precursors for sustainable and efficient electrocatalysts. In addition, graphitic carbon nitrides/TiO2 nanotubes (g-C3N4/TiNT) composites are prepared for the electrocatalytic reduction of oxalic acid to glycolic acid, revealing superior electrocatalytic properties compared to pristine TiNT. Characterization by X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electronic microscopy were performed for all the prepared electrocatalysts. Delving into the reduction of CO2 on Cu catalysts, a computational study about the synthesis of methanol on Cu(111) surface is performed by using the Vienna Ab initio Simulation Package. A systematic study is carried out to define the activation energies of the elementary reactions by using mGGA DF. Consequently, it is shown that the rate-controlling step is CH3O* hydrogenation and the formate pathway on Cu(111) proceeds through the HCOOH* intermediate. Finally, the process simulation, performed by using the software Aspen Plus 11 from AspenTech Inc., is based on the comparison of a catalytic (oxidation of ethylene glycol) and an electrocatalytic process (CO2 electroreduction chain) to synthesize glycolic acid. An economic analysis of the operational and investment costs reveals that the catalytic process is more cost-effective due to the current instability of electrocatalysts and proton exchange membranes, resulting in increased maintenance costs and, consequently, higher prices for the product.
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 (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205262 Serial 9147
Permanent link to this record
 
 
Author Tsonev, I.; Ahmadi Eshtehardi, H.; Delplancke, M.-P.; Bogaerts, A.
Title Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation Type A1 Journal article
Year 2024 Publication Sustainable energy & fuels Abbreviated Journal
Volume Issue Pages 1-19
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001203657700001 Publication Date 2024-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205435 Serial 9155
Permanent link to this record
 
 
Author Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H.
Title Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures Type A1 Journal article
Year 2024 Publication JACS Au Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001225139200001 Publication Date 2024-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205970 Serial 9166
Permanent link to this record
 
 
Author O'Modhrain, C.; Trenchev, G.; Gorbanev, Y.; Bogaerts, A.
Title Upscaling plasma-based CO₂ conversion : case study of a multi-reactor gliding arc plasmatron Type A1 Journal article
Year 2024 Publication ACS Engineering Au Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atmospheric pressure plasmas have shifted in recent years from being a burgeoning research field in the academic setting to an actively investigated technology in the chemical, oil, and environmental industries. This is largely driven by the climate change mitigation efforts, as well as the evident pathways of value creation by converting greenhouse gases (such as CO2) into useful chemical feedstock. Currently, most high technology readiness level (TRL) plasma-based technologies are based on volumetric and power-based scaling of thermal plasma systems, which results in large capital investment and regular maintenance costs. This work investigates bringing a quasi-thermal (so-called “warm”) plasma setup, namely, a gliding arc plasmatron, from a lab-scale to a pilot-scale capacity with an increase in throughput capacity by a factor of 10. The method of scaling is the parallelization of plasmatron reactors within a single housing, with the aim of maintaining a warm plasma regime while simultaneously improving build cost and efficiency (compared to separate reactors operating in parallel). Special attention is also given to the safety and control features implemented in the setup, a key component required for integration into industrial systems. The performance of the multi-reactor gliding arc plasmatron (MRGAP) reactor is investigated, focusing on the influence of flow rate and the number of active reactors. The location of active reactors was deemed to have a negligible effect on the monitored metrics of conversion, energy efficiency, and energy cost. The optimum operating conditions were found to be with the most active reactors (five) at the highest investigated flow rate (80 L/min). Analysis of results suggests that an optimum conversion (9%) and plug power-based energy efficiency (19%) can be maintained at a specific energy input (SEI) around 5.3 kJ/L (or 1 eV/molecule). The concept of parallelization of plasmatron reactors within a singular housing was demonstrated to be a viable method for scaling up from a lab-scale to a prototype-scale device, with performance analysis suggesting that increasing the power (through adding more reactor channels) and total flow rate, while maintaining an SEI around 5.3 or 4.2 kJ/L, i.e., 1.3 or 1 eV/molecule (based on plug power and plasma-deposited power, respectively), can result in increased conversion rate without sacrificing absolute conversion or energy efficiency.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001166625200001 Publication Date 2024-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 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:204749 Serial 9182
Permanent link to this record
 
 
Author Wendelen, W.; Autrique, D.; Bogaerts, A.
Title Space charge limited electron emission from a Cu surface under ultrashort pulsed laser irradiation Type A1 Journal article
Year 2010 Publication AIP conference proceedings Abbreviated Journal
Volume 1278 Issue Pages 407-415
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this theoretical study, the electron emission from a copper surface under ultrashort pulsed laser irradiation is investigated using a one dimensional particle in cell model. Thermionic emission as well as multi-photon photoelectron emission were taken into account. The emitted electrons create a negative space charge above the target, consequently the generated electric field reduces the electron emission by several orders of magnitude. The simulations indicate that the space charge effect should be considered when investigating electron emission related phenomena in materials under ultrashort pulsed laser irradiation of metals.the word abstract, but do replace the rest of this text. ©2010 American Institute of Physics
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000287183900042 Publication Date 2010-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:88899 Serial 3058
Permanent link to this record
 
 
Author Bogaerts, A.
Title Glow discharge optical spectroscopy and mass spectrometry Type H1 Book chapter
Year 2016 Publication Abbreviated Journal
Volume Issue Pages 1-31
Keywords H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic Spectroscopy Optical (atomic absorption spectroscopy, AAS; atomic emission spectroscopy, AES; atomic fluorescence spectroscopy, AFS; and optogalvanic spectroscopy) and mass spectrometric (magnetic sector, quadrupole mass analyzer, QMA; quadrupole ion trap, QIT; Fourier transform ion cyclotron resonance, FTICR; and time-of-flight, TOF) instrumentation are well suited for coupling to the glow discharge (GD). The GD is a relatively simple device. A potential gradient (500–1500 V) is applied between an anode and a cathode. In most cases, the sample is also the cathode. A noble gas (mostly Ar) is introduced into the discharge region before power initiation. When a potential is applied, electrons are accelerated toward the anode. As these electrons accelerate, they collide with gas atoms. A fraction of these collisions are of sufficient energy to remove an electron from a support gas atom, forming an ion. These ions are, in turn, accelerated toward the cathode. These ions impinge on the surface of the cathode, sputtering sample atoms from the surface. Sputtered atoms that do not redeposit on the surface diffuse into the excitation/ionization regions of the plasma where they can undergo excitation and/or ionization via a number of collisional processes, and the photons or ions created in this way can be detected with optical emission spectroscopy or mass spectrometry. GD sources offer a number of distinct advantages that make them well suited for specific types of analyses. These sources afford direct analysis of solid samples, thus minimizing the sample preparation required for analysis. The nature of the plasma also provides mutually exclusive atomization and excitation processes that help to minimize the matrix effects that plague so many other elemental techniques. In recent years, there is also increasing interest for using GD sources for liquid and gas analyses. In this article, first, the principles of operation of the GD plasma are reviewed, with an emphasis on how those principles relate to optical spectroscopy and mass spectrometry. Basic applications of the GD techniques are considered next. These include bulk analysis, surface analysis, and the analysis of solution and gaseous samples. The requirements necessary to obtain optical information are addressed following the analytical applications. This article focuses on the instrumentation needed to make optical measurements using the GD as an atomization/excitation source. Finally, mass spectrometric instrumentation and interfaces are addressed as they pertain to the use of a GD plasma as an ion source. GD sources provide analytically useful gas-phase species from solid samples. These sources can be interfaced with a variety of spectroscopic and spectrometric instruments for both quantitative and qualitative analyses.
Address
Corporate Author Thesis
Publisher John Wiley & Sons Place of Publication Chichester Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN 978-0-470-02731-8 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:132064 Serial 4187
Permanent link to this record
 
 
Author Bogaerts, A.
Title Glow discharge optical spectroscopy and mass spectrometry Type A1 Journal article
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; PLASMANT
Abstract Atomic Spectroscopy Optical (atomic absorption spectroscopy, AAS; atomic emission spectroscopy, AES; atomic fluorescence spectroscopy, AFS; and optogalvanic spectroscopy) and mass spectrometric (magnetic sector, quadrupole mass analyzer, QMA; quadrupole ion trap, QIT; Fourier transform ion cyclotron resonance, FTICR; and time-of-flight, TOF) instrumentation are well suited for coupling to the glow discharge (GD). The GD is a relatively simple device. A potential gradient (500–1500 V) is applied between an anode and a cathode. In most cases, the sample is also the cathode. A noble gas (mostly Ar) is introduced into the discharge region before power initiation. When a potential is applied, electrons are accelerated toward the anode. As these electrons accelerate, they collide with gas atoms. A fraction of these collisions are of sufficient energy to remove an electron from a support gas atom, forming an ion. These ions are, in turn, accelerated toward the cathode. These ions impinge on the surface of the cathode, sputtering sample atoms from the surface. Sputtered atoms that do not redeposit on the surface diffuse into the excitation/ionization regions of the plasma where they can undergo excitation and/or ionization via a number of collisional processes, and the photons or ions created in this way can be detected with optical emission spectroscopy or mass spectrometry. GD sources offer a number of distinct advantages that make them well suited for specific types of analyses. These sources afford direct analysis of solid samples, thus minimizing the sample preparation required for analysis. The nature of the plasma also provides mutually exclusive atomization and excitation processes that help to minimize the matrix effects that plague so many other elemental techniques. In recent years, there is also increasing interest for using GD sources for liquid and gas analyses. In this article, first, the principles of operation of the GD plasma are reviewed, with an emphasis on how those principles relate to optical spectroscopy and mass spectrometry. Basic applications of the GD techniques are considered next. These include bulk analysis, surface analysis, and the analysis of solution and gaseous samples. The requirements necessary to obtain optical information are addressed following the analytical applications. This article focuses on the instrumentation needed to make optical measurements using the GD as an atomization/excitation source. Finally, mass spectrometric instrumentation and interfaces are addressed as they pertain to the use of a GD plasma as an ion source. GD sources provide analytically useful gas-phase species from solid samples. These sources can be interfaced with a variety of spectroscopic and spectrometric instruments for both quantitative and qualitative analyses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2006-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @ Serial 4282
Permanent link to this record
 
 
Author Bogaerts, A.; Snoeckx, R.; Trenchev, G.; Wang, W.
Title Modeling for a Better Understanding of Plasma-Based CO2 Conversion Type H1 Book Chapter
Year 2018 Publication Plasma Chemistry and Gas Conversion Abbreviated Journal
Volume Issue Pages
Keywords H1 Book Chapter; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract This chapter discusses modeling efforts for plasma-based CO2 conversion, which are needed to obtain better insight in the underlying mechanisms, in order to improve this application. We will discuss two types of (complementary) modeling efforts that are most relevant, that is, (i) modeling of the detailed plasma chemistry by zero-dimensional (0D) chemical kinetic models and (ii) modeling of reactor design, by 2D or 3D fluid dynamics models. By showing some characteristic calculation results of both models, for CO2 splitting and in combination with a H-source, and for packed bed DBD and gliding arc plasma, we can illustrate the type of information they can provide.
Address
Corporate Author Thesis
Publisher IntechOpen Place of Publication Rijeka Editor Britun, N.; Silva, T.
Language Wos Publication Date 2018-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) ISBN Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @ Bogaerts18c:irua:155915 Serial 5142
Permanent link to this record
 
 
Author Meng, S.; Wu, L.; Liu, M.; Cui, Z.; Chen, Q.; Li, S.; Yan, J.; Wang, L.; Wang, X.; Qian, J.; Guo, H.; Niu, J.; Bogaerts, A.; Yi, Y.
Title Plasma‐driven<scp>CO2</scp>hydrogenation to<scp>CH3OH</scp>over<scp>Fe2O3</scp>/<scp>γ‐Al2O3</scp>catalyst Type A1 Journal Article
Year 2023 Publication AIChE Journal Abbreviated Journal AIChE Journal
Volume 69 Issue 10 Pages e18154
Keywords A1 Journal Article; chemisorbed oxygen, CO2 hydrogenation, iron-based catalyst, methanol production, plasma catalysis; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract We report a plasma‐assisted CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH over Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>catalysts, achieving 12% CO<sub>2</sub>conversion and 58% CH<sub>3</sub>OH selectivity at a temperature of nearly 80°C atm pressure. We investigated the effect of various supports and loadings of the Fe‐based catalysts, as well as optimized reaction conditions. We characterized catalysts by X‐ray powder diffraction (XRD), hydrogen temperature programmed reduction (H<sub>2</sub>‐TPR), CO<sub>2</sub>and CO temperature programmed desorption (CO<sub>2</sub>/CO‐TPD), high‐resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), x‐ray photoelectron spectroscopy (XPS), Mössbauer, and Fourier transform infrared<bold>(</bold>FTIR). The XPS results show that the enhanced CO<sub>2</sub>conversion and CH<sub>3</sub>OH selectivity are attributed to the chemisorbed oxygen species on Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>. Furthermore, the diffuse reflectance infrared Fourier transform spectroscopy (DRIFTs) and TPD results illustrate that the catalysts with stronger CO<sub>2</sub>adsorption capacity exhibit a higher reaction performance.<italic>In situ</italic>DRIFTS gain insight into the specific reaction pathways in the CO<sub>2</sub>/H<sub>2</sub>plasma. This study reveals the role of chemisorbed oxygen species as a key intermediate, and inspires to design highly efficient catalysts and expand the catalytic systems for CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001022420000001 Publication Date 2023-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0001-1541 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access Not_Open_Access
Notes Fundamental Research Funds for the Central Universities, DUT18JC42 ; National Natural Science Foundation of China, 21908016 21978032 ; Approved Most recent IF: 3.7; 2023 IF: 2.836
Call Number PLASMANT @ plasmant @c:irua:197829 Serial 8959
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Author Khalilov, U.; Bogaerts, A.; Neyts, E.C.
Title Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations Type A1 Journal article
Year 2017 Publication Accounts of chemical research Abbreviated Journal Accounts Chem Res
Volume 50 Issue 50 Pages 796-804
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale.

In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature.

In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399859800016 Publication Date 2017-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0001-4842 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 20.268 Times cited 5 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 12M1315N ; Approved Most recent IF: 20.268
Call Number PLASMANT @ plasmant @ c:irua:142638 Serial 4561
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Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study Type A1 Journal article
Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 133 Issue 43 Pages 17225-17231
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000297380900026 Publication Date 2011-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 116 Open Access
Notes Approved Most recent IF: 13.858; 2011 IF: 9.907
Call Number UA @ lucian @ c:irua:92043 Serial 309
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Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field Type A1 Journal article
Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 134 Issue 2 Pages 1256-1260
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000301084300086 Publication Date 2011-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 56 Open Access
Notes Approved Most recent IF: 13.858; 2012 IF: 10.677
Call Number UA @ lucian @ c:irua:97163 Serial 1673
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Author Adams, F.; Adriaens, A.; Bogaerts, A.
Title Can plasma spectrochemistry assist in improving the accuracy of chemical analysis? Type A1 Journal article
Year 2002 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 456 Issue Pages 63-75
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 000174676000007 Publication Date 2002-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.95 Times cited 6 Open Access
Notes Approved Most recent IF: 4.95; 2002 IF: 2.114
Call Number UA @ lucian @ c:irua:38375 Serial 272
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Author Aghaei, M.; Lindner, H.; Bogaerts, A.
Title Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations Type A1 Journal article
Year 2016 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 88 Issue 88 Pages 8005-8018
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.
Address Research Group PLASMANT, Chemistry Department, University of Antwerp , Universiteitsplein 1, 2610 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000381654800020 Publication Date 2016-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 9 Open Access
Notes The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO), Grant Number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA. Approved Most recent IF: 6.32
Call Number PLASMANT @ plasmant @ c:irua:135644 Serial 4293
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Author Fuchs, J.; Aghaei, M.; Schachel, T.D.; Sperling, M.; Bogaerts, A.; Karst, U.
Title Impact of the Particle Diameter on Ion Cloud Formation from Gold Nanoparticles in ICPMS Type A1 Journal article
Year 2018 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 90 Issue 17 Pages 10271-10278
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The unique capabilities of microsecond dwell time (DT) single-particle inductively coupled plasma mass spectrometry (spICPMS) were utilized to characterize the cloud of ions generated from the introduction of suspensions of gold nanoparticles (AuNPs) into the plasma. A set of narrowly distributed particles with diameters ranging from 15.4 to 100.1 nm was synthesized and characterized according to established protocols. Statistically significant numbers of the short transient spICPMS events were evaluated by using 50 μs DT for their summed intensity, maximum intensity, and duration, of which all three were found to depend on the particle diameter. The summed intensity increases from 10 to 1661 counts and the maximum intensity from 6 to 309 counts for AuNPs with diameters from 15.4 to 83.2 nm. The event duration rises from 322 to 1007 μs upon increasing AuNP diameter. These numbers represent a comprehensive set of key data points of the ion clouds generated in ICPMS from AuNPs. The extension of event duration is of high interest to appoint the maximum possible particle number concentration at which separation of consecutive events in spICPMS can still be achieved. Moreover, the combined evaluation of all above-mentioned ion cloud characteristics can explain the regularly observed prolonged single-particle events. The transport and ionization behavior of AuNPs in the ICP was also computationally modeled to gain insight into the size-dependent signal generation. The simulated data reveals that the plasma temperature, and therefore the point of ionization of the particles, is the same for all diameters. However, the maximum number density of Au+, as well as the extent of the ion cloud, depends on the particle diameter, in agreement with the experimental data, and it provides an adequate explanation for the observed ion cloud characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444060600028 Publication Date 2018-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 5 Open Access OpenAccess
Notes We thank Dr. Harald Rösner from the Institute of Materials Physics of the University of Münster for the TEM imaging. Approved Most recent IF: 6.32
Call Number PLASMANT @ plasmant @c:irua:153651 Serial 5057
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Author Gorbanev, Y.; Privat-Maldonado, A.; Bogaerts, A.
Title Analysis of Short-Lived Reactive Species in Plasma–Air–Water Systems: The Dos and the Do Nots Type A1 Journal Article
Year 2018 Publication Analytical Chemistry Abbreviated Journal Anal Chem
Volume 90 Issue 22 Pages 13151-13158
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract This Feature addresses the analysis of the reactive species generated by nonthermal atmospheric

pressure plasmas, which are widely employed in industrial and biomedical research, as well as first

clinical applications. We summarize the progress in detection of plasma-generated short-lived

reactive oxygen and nitrogen species in aqueous solutions, discuss the potential and limitations of

various analytical methods in plasma−liquid systems, and provide an outlook on the possible future

research goals in development of short-lived reactive species analysis methods for a general

nonspecialist audience.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000451246100002 Publication Date 2018-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 17 Open Access Not_Open_Access
Notes European Commission, 743151 ; This work was supported by the European Marie Sklodowska- Curie Individual Fellowship within Horizon2020 (“LTPAM”, Grant No. 743151). Approved Most recent IF: 6.32
Call Number PLASMANT @ plasmant @c:irua:156301 Serial 5152
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Author Aghaei, M.; Bogaerts, A.
Title Flowing Atmospheric Pressure Afterglow for Ambient Ionization: Reaction Pathways Revealed by Modeling Type A1 Journal article
Year 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem
Volume 93 Issue 17 Pages 6620-6628
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We describe the plasma chemistry in a helium flowing atmospheric pressure afterglow (FAPA) used for analytical spectrometry, by means of a quasione-dimensional (1D) plasma chemical kinetics model. We study the effect of typical impurities present in the feed gas, as well as the afterglow in ambient humid air. The model provides the species density profiles in the discharge and afterglow regions and the chemical pathways. We demonstrate that H, N, and O atoms are formed in the discharge region, while the dominant reactive neutral species in the afterglow are O3 and NO. He* and He2* are responsible for Penning ionization of O2, N2, H2O, H2, and N, and especially O and H atoms. Besides, He2+ also contributes to ionization of N2, O2, H2O, and O through charge transfer reactions. From the pool of ions created in the discharge, NO+ and (H2O)3H+ are the dominant ions in the afterglow. Moreover, negatively charged clusters, such as NO3H2O− and NO2H2O−, are formed and their pathway is discussed as well. Our model predictions are in line with earlier observations in the literature about the important reagent ions and provide a comprehensive overview of the underlying pathways. The model explains in detail why helium provides a high analytical sensitivity because of high reagent ion formation by both Penning ionization and charge transfer. Such insights are very valuable for improving the analytical performance of this (and other) ambient desorption/ionization source(s).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000648505900008 Publication Date 2021-05-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 0003-2700 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 6713 ; The authors gratefully acknowledge financial support from the Fonds voor Wetenschappelijk Onderzoek (FWO) grant number 6713. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the UA. The authors also thank J. T. Shelley for providing experimental data for the gas velocity behind the anode disk and before the mass spectrometer interface, to validate our model. Approved Most recent IF: 6.32
Call Number PLASMANT @ plasmant @c:irua:178126 Serial 6762
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