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Author Bogaerts, A.; Gijbels, R. openurl 
  Title (up) Modeling of glow discharges: what can we learn from it? Type A3 Journal article
  Year 1997 Publication Analytical chemistry A-pages Abbreviated Journal  
  Volume 69 Issue Pages 719-727  
  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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:19611 Serial 2126  
Permanent link to this record
 

 
Author Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B.; Fischetti, M.V. url  openurl
  Title (up) Modeling of inter-ribbon tunneling in graphene Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract The tunneling current between two crossed graphene ribbons is described invoking the empirical pseudopotential approximation and the Bardeen transfer Hamiltonian method. Results indicate that the density of states is the most important factor determining the tunneling current between small (similar to nm) ribbons. The quasi-one dimensional nature of graphene nanoribbons is shown to result in resonant tunneling.  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-0-692-51523-5 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:134997 Serial 4206  
Permanent link to this record
 

 
Author Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W. doi  openurl
  Title (up) Modeling of ionization of argon in an analytical capacitively coupled radio-frequency glow discharge Type A1 Journal article
  Year 1999 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 86 Issue 6 Pages 2990-3001  
  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 000082232400010 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 18 Open Access  
  Notes Approved Most recent IF: 2.068; 1999 IF: 2.275  
  Call Number UA @ lucian @ c:irua:28320 Serial 2127  
Permanent link to this record
 

 
Author Bogaerts, A.; Kolev, I. openurl 
  Title (up) Modeling of magnetron and glow discharges Type A1 Journal article
  Year 2002 Publication Le vide: science, technique et applications Abbreviated Journal  
  Volume 57 Issue 304 Pages 296-307  
  Keywords A1 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; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:40185 Serial 2128  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. url  doi
openurl 
  Title (up) Modeling of metastable argon atoms in a direct current glow discharge Type A1 Journal article
  Year 1995 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A  
  Volume 52 Issue Pages 3743-3751  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1995TE17300053 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.808 Times cited 98 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #  
  Call Number UA @ lucian @ c:irua:12263 Serial 2129  
Permanent link to this record
 

 
Author Berthelot, A. url  openurl
  Title (up) Modeling of microwave plasmas for carbon dioxide conversion Type Doctoral thesis
  Year 2018 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher University of Antwerp Place of Publication Antwerp Editor  
  Language Wos Publication Date  
  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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:150338 Serial 4944  
Permanent link to this record
 

 
Author Vincze, L.; Vekemans, B.; Janssens, K.; Adams, F. pdf  doi
openurl 
  Title (up) Modeling of photon scattering at high X-ray energies : experiment versus simulation Type A1 Journal article
  Year 1999 Publication Journal of analytical atomic spectrometry T2 – 15th International Congress on X-Ray Optics and Microanalysis (ICXOM), AUG 24-27, 1998, ANTWERP, BELGIUM Abbreviated Journal J Anal Atom Spectrom  
  Volume 14 Issue 3 Pages 529-533  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The use of a detailed Monte Carlo simulation code for X-ray fluorescence spectrometers is demonstrated for calculating the outcome of X-ray scattering experiments in the incident energy range 40-80 keV. The code was validated by comparisons of experimental and simulated spectral distributions in the case of thick, homogeneous samples in which multiple photon scattering occurs with high probability. The experimental spectral distributions were collected at beamline BW5 of HASYLAB, Germany, where a highly energetic, monochromatic synchrotron beam is available. With respect to heterogeneous samples, the code was employed to evaluate the use of Rayleigh and Compton scatter signals for obtaining three dimensional information on the sample dark matrix composition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000079138500032 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited Open Access  
  Notes Approved Most recent IF: 3.379; 1999 IF: 3.677  
  Call Number UA @ admin @ c:irua:103504 Serial 5732  
Permanent link to this record
 

 
Author Bogaerts, A.; Aerts, R.; Snoeckx, R.; Somers, W.; Van Gaens, W.; Yusupov, M.; Neyts, E. url  doi
openurl 
  Title (up) Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications Type A1 Journal article
  Year 2012 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 399 Issue Pages 012011  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, an overview is given of modeling investigations carried out in our research group for a better understanding of plasmas used for medical, environmental and nano applications. The focus is both on modeling the plasma chemistry and the plasma-surface interactions. The plasma chemistry provides the densities and fluxes of the important plasma species. This information can be used as input when modeling the plasma-surface interactions. The combination of plasma simulations and plasma – surface interaction simulations provides a more comprehensive understanding of the underlying processes for these applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000312261700011 Publication Date 2012-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 7 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:104727 Serial 2130  
Permanent link to this record
 

 
Author Berthelot, A.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modeling of plasma-based CO2conversion: lumping of the vibrational levels Type A1 Journal article
  Year 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 25 Issue 25 Pages 045022  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Although CO2 conversion by plasma technology is gaining increasing interest, the

underlying mechanisms for an energy-efficient process are still far from understood. In this work, a reduced non-equilibrium CO2 plasma chemistry set, based on level lumping of the vibrational levels, is proposed and the reliability of this level-lumping method is tested by a self-consistent zero-dimensional code. A severe reduction of the number of equations to be solved is achieved, which is crucial to be able to model non-equilibrium CO2 plasmas by 2-dimensional models. Typical conditions of pressure and power used in a microwave plasma for CO2 conversion are investigated. Several different sets, using different numbers of lumped groups, are considered. The lumped models with 1, 2 or 3 groups are able to reproduce the gas temperature, electron density and electron temperature profiles, as calculated by the full model treating all individual excited levels, in the entire pressure range investigated. Furthermore, a 3-groups model is also able to reproduce the shape of the vibrational distribution function (VDF) and gives the most reliable prediction of the CO2 conversion. A strong influence of the vibrational excitation on the plasma characteristics is observed. Finally, the limitations of the lumped-levels method are discussed.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000380380200036 Publication Date 2016-07-08  
  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 33 Open Access  
  Notes This project has received funding from the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no 606889 and it was also carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (PSI-IAP7) supported by the Belgian Science Policy Office (BELSPO). 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: 3.302  
  Call Number c:irua:134397 Serial 4101  
Permanent link to this record
 

 
Author Van de Put, M.L. openurl 
  Title (up) Modeling of quantum electron transport with applications in energy filtering nanostructures Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:138752 Serial 4357  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. openurl 
  Title (up) Modeling of radio-frequency and direct current glow discharges in argon Type A3 Journal article
  Year 2000 Publication Journal of technical physics Abbreviated Journal  
  Volume 41 Issue 1 Pages 183-202  
  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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:28316 Serial 2131  
Permanent link to this record
 

 
Author de Bleecker, K.; Bogaerts, A.; Goedheer, W. url  doi
openurl 
  Title (up) Modeling of the formation and transport of nanoparticles in silane plasmas Type A1 Journal article
  Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 70 Issue Pages 056407,1-8  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The behavior of nanoparticles in a low-pressure silane discharge is studied with the use of a self-consistent one-dimensional fluid model. Nanoparticles of a given (prescribed) radius are formed in the discharge by the incorporation of a dust growth mechanism, i.e., by including a step in which large anions (typically Si12H−25), produced in successive chemical reactions of anions with silane molecules, are transformed into particles. Typically a few thousand anions are used for one nanoparticle. The resulting particle density and the charge on the particles are calculated with an iterative method. While the spatial distribution and the charge of the particles are influenced by the plasma, the presence of the nanoparticles will in turn influence the plasma properties. Several simulations with different particle radii are performed. The resulting density profile of the dust will greatly depend on the particle size, as it reacts to the shift of the balance of the different forces acting on the particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000225970700092 Publication Date 2004-11-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 31 Open Access  
  Notes Approved Most recent IF: 2.366; 2004 IF: NA  
  Call Number UA @ lucian @ c:irua:49432 Serial 2132  
Permanent link to this record
 

 
Author Bogaerts, A.; Kolev, I.; Buyle, G. isbn  openurl
  Title (up) Modeling of the magnetron discharge Type H1 Book chapter
  Year 2008 Publication Abbreviated Journal  
  Volume Issue Pages 61-130  
  Keywords H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Springer Place of Publication Berlin Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-3-540-76664-3 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:82176 Serial 2133  
Permanent link to this record
 

 
Author Buysse, C.; Michielsen, B.; Middelkoop, V.; Snijkers, F.; Buekenhondt, A.; Kretzschmar, J.; Lenaerts, S. pdf  doi
openurl 
  Title (up) Modeling of the performance of BSCF capillary membranes in four-end and three-end integration mode Type A1 Journal article
  Year 2013 Publication Ceramics international Abbreviated Journal Ceram Int  
  Volume 39 Issue 4 Pages 4113-4123  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Owing to their high surface-to-volume ratio, there has been an increasing research interest in mixed ionic electronic conducting (MIEC) capillary membranes for large-scale high temperature oxygen separation applications. They offer an energy-efficient solution for high temperature combustion processes in oxy-fuel and pre-combustion CO2 capture technologies used in fossil fuel power plants. In order to assess the effectiveness of these membranes in power plant applications, the impact of the geometry of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillaries on their performance in the three-end and four-end integration modes has been investigated and thoroughly discussed. The model's parameters were derived from four-end mode lab-scale experiments using gas-tight, macrovoid free and sulfur-free BSCF capillary membranes that were prepared by a phase-inversion spinning technique. The results of this modeling study revealed that in the four-end mode higher average oxygen fluxes and smaller total membrane areas can be obtained than in the three-end mode. This is due to the higher pO(2) gradient across the membrane wall. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318129100084 Publication Date 2012-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0272-8842 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.986 Times cited 4 Open Access  
  Notes ; The authors wish to thank all the VITO staff involved in the project for their continued support, and in particular B. Molenberghs, W. Doyen, H. Beckers and S. Mullens. C. Buysse would like to acknowledge funding from VITO and the University of Antwerp for a Ph.D. studentship. This work has been performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; Approved Most recent IF: 2.986; 2013 IF: 2.086  
  Call Number UA @ admin @ c:irua:109020 Serial 5971  
Permanent link to this record
 

 
Author Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S. pdf  doi
openurl 
  Title (up) Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas Type A1 Journal article
  Year 2010 Publication Pure and applied chemistry Abbreviated Journal Pure Appl Chem  
  Volume 82 Issue 6 Pages 1283-1299  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasmasurface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MCfluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasmasurface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000279063900010 Publication Date 2010-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1365-3075;0033-4545; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.626 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.626; 2010 IF: 2.134  
  Call Number UA @ lucian @ c:irua:82108 Serial 2134  
Permanent link to this record
 

 
Author Lenaerts, J.; Verlinden, G.; Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Geuens, I. doi  openurl
  Title (up) Modeling of the sputtering process of cubic silver halide microcrystals and its relevance in depth profiling by secondary ion-mass spectrometry (SIMS) Type A1 Journal article
  Year 2001 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem  
  Volume 370 Issue 5 Pages 654-662  
  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 000170115200032 Publication Date 2002-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0937-0633;1432-1130; 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:37251 Serial 2135  
Permanent link to this record
 

 
Author de Bleecker, K.; Bogaerts, A. doi  openurl
  Title (up) Modeling of the synthesis and subsequent growth of nanoparticles in dusty plasmas Type A1 Journal article
  Year 2007 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us  
  Volume 11 Issue Pages 21-36  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000246372200003 Publication Date 2008-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1093-3611; 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:63996 Serial 2136  
Permanent link to this record
 

 
Author Depla, D.; Chen, Z.Y.; Bogaerts, A.; Ignatova, V.; de Gryse, R.; Gijbels, R. doi  openurl
  Title (up) Modeling of the target surface modification by reactive ion implantation during magnetron sputtering Type A1 Journal article
  Year 2004 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A  
  Volume 22 Issue 4 Pages 1524-1529  
  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 000223322000075 Publication Date 2004-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0734-2101; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.374 Times cited 13 Open Access  
  Notes Approved Most recent IF: 1.374; 2004 IF: 1.557  
  Call Number UA @ lucian @ c:irua:47331 Serial 2137  
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title (up) Modeling PECVD growth of nanostructured carbon materials Type A1 Journal article
  Year 2009 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us  
  Volume 13 Issue 3/4 Pages 399-412  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000274202300012 Publication Date 2010-02-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1093-3611; 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:80991 Serial 2138  
Permanent link to this record
 

 
Author Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 122 Issue 16 Pages 8704-8723  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane

(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable

for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000431151200002 Publication Date 2018-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 28 Open Access OpenAccess  
  Notes Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; Approved Most recent IF: 4.536  
  Call Number PLASMANT @ plasmant @c:irua:150969 Serial 4922  
Permanent link to this record
 

 
Author Bogaerts, A.; Wang, W.; Berthelot, A.; Guerra, V. pdf  url
doi  openurl
  Title (up) Modeling plasma-based CO2conversion: crucial role of the dissociation cross section Type A1 Journal article
  Year 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 25 Issue 25 Pages 055016  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma-based CO2 conversion is gaining increasing interest worldwide. A large research effort is devoted to improving the energy efficiency. For this purpose, it is very important to understand the underlying mechanisms of the CO2 conversion. The latter can be obtained by computer modeling, describing in detail the behavior of the various plasma species and all relevant chemical processes. However, the accuracy of the modeling results critically depends on the accuracy of the assumed input data, like cross sections. This is especially true for the cross section of electron impact dissociation, as the latter process is believed

to proceed through electron impact excitation, but it is not clear from the literature which excitation channels effectively lead to dissociation. Therefore, the present paper discusses the effect of different electron impact dissociation cross sections reported in the literature on the calculated CO2 conversion, for a dielectric barrier discharge (DBD) and a microwave (MW) plasma. Comparison is made to experimental data for the DBD case, to elucidate which cross section might be the most realistic. This comparison reveals that the cross sections proposed

by Itikawa and by Polak and Slovetsky both seem to underestimate the CO2 conversion. The cross sections recommended by Phelps with thresholds of 7 eV and 10.5 eV yield a CO2 conversion only slightly lower than the experimental data, but the sum of both cross sections overestimates the values, indicating that these cross sections represent dissociation, but most probably also include other (pure excitation) channels. Our calculations indicate that the choice of the electron impact dissociation cross section is crucial for the DBD, where this process is the dominant mechanism for CO2 conversion. In the MW plasma, it is only significant at pressures up to 100 mbar, while it is of minor importance for higher pressures, when dissociation proceeds mainly through collisions of CO2 with heavy particles.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000384030600001 Publication Date 2016-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 57 Open Access  
  Notes The authors would like to thank R Snoeckx and S Heijkers for the interesting discussions. This research was supported by the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska-Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the FWO project (grant G.0383.16N), and the Network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (PSI-IAP7), supported by the Belgian Science Policy Office (BELSPO). 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. VG was partially supported by the Portuguese FCT— Fundação para a Ci Approved Most recent IF: 3.302  
  Call Number c:irua:135070 Serial 4111  
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Author Bogaerts, A. pdf  url
doi  openurl
  Title (up) Modeling plasmas in analytical chemistry—an example of cross-fertilization Type A1 Journal article
  Year 2020 Publication Analytical And Bioanalytical Chemistry Abbreviated Journal Anal Bioanal Chem  
  Volume 412 Issue 24 Pages 6059-6083  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This paper gives an overview of the modeling work developed in our group in the last 25 years for various plasmas used in analytical spectrochemistry, i.e., glow discharges (GDs), inductively coupled plasmas (ICPs), and laser ablation (LA) for sample introduction in the ICP and for laser-induced breakdown spectroscopy (LIBS). The modeling approaches are briefly presented, which are different for each case, and some characteristic results are illustrated. These plasmas are used not only in analytical chemistry but also in other applications, and the insights obtained in these other fields were quite helpful for us to develop models for the analytical plasmas. Likewise, there is now a huge interest in plasma–liquid interaction, atmospheric pressure glow discharges (APGDs), and dielectric barrier discharges (DBDs) for environmental, medical, and materials applications of plasmas. The insights obtained in these fields are also very relevant for ambient desorption/ionization sources and for liquid sampling, which are nowadays very popular in analytical chemistry, and they could be very helpful in developing models for these sources as well.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000522701700005 Publication Date 2020-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.3 Times cited Open Access  
  Notes M. Aghaei, Z. Chen, D. Autrique, T. Martens, and P. Heirman are gratefully acknowledged for their valuable efforts in the model developments illustrated in this paper. Approved Most recent IF: 4.3; 2020 IF: 3.431  
  Call Number PLASMANT @ plasmant @c:irua:168600 Serial 6412  
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Author Tinck, S.; Bogaerts, A. pdf  doi
openurl 
  Title (up) Modeling SiH4/O2/Ar inductively coupled plasmas used for filling of microtrenches in shallow trench isolation (STI) Type A1 Journal article
  Year 2012 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 9 Issue 5 Pages 522-539  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modeling results are presented to gain a better insight in the properties of a SiH4/O2/Ar inductively coupled plasma (ICP) and how it interacts with a silicon substrate (wafer), as applied in the microelectronics industry for the fabrication of electronic devices. The SiH4/O2/Ar ICP is used for the filling of microtrenches with isolating material (SiO2), as applied in shallow trench isolation (STI). In this article, a detailed reaction set that describes the plasma chemistry of SiH4/O2/Ar discharges as well as surface processes, such as sputtering, oxidation, and deposition, is presented. Results are presented on the plasma properties during the plasma enhanced chemical vapor deposition process (PECVD) for different gas ratios, as well as on the shape of the filled trenches and the surface compositions of the deposited layers. For the operating conditions under study it is found that the most important species accounting for deposition are SiH2, SiH3O, SiH3 and SiH2O, while SiH+2, SiH+3, O+2 and Ar+ are the dominant species for sputtering of the surface. By diluting the precursor gas (SiH4) in the mixture, the deposition rate versus sputtering rate can be controlled for a desired trench filling process. From the calculation results it is clear that a high deposition rate will result in undesired void formation during the trench filling, while a small deposition rate will result in undesired trench bottom and mask damage by sputtering. By varying the SiH4/O2 ratio, the chemical composition of the deposited layer will be influenced. However, even at the highest SiH4/O2 ratio investigated (i.e., 3.2:1; low oxygen content), the bulk deposited layer consists mainly of SiO2, suggesting that low-volatile silane species deposit first and subsequently become oxidized instead of being oxidized first in the plasma before deposition. Finally, it was found that the top surface of the deposited layer contained less oxygen due to preferential sputtering of O atoms, making the top layer more Si-rich. However, this effect is negligible at a SiH4/O2 ratio of 2:1 or lower.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000303858100010 Publication Date 2012-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 5 Open Access  
  Notes Approved Most recent IF: 2.846; 2012 IF: 3.730  
  Call Number UA @ lucian @ c:irua:99127 Serial 2142  
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Author Payette, C.; Partoens, B.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Amaha, S.; Tarucha, S. doi  openurl
  Title (up) Modeling single-particle energy levels and resonance currents in a coherent electronic quantum dot mixer Type A1 Journal article
  Year 2009 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 94 Issue 22 Pages 222101,1-22101,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present model calculations based on a coherent tunneling picture, which reproduce well both the single-particle energy level position and the resonant current strength at two typical anticrossings, one involving two levels and the other three levels in a coherent mixer composed of two weakly coupled vertical quantum dots. An essential ingredient is the inclusion of higher degree terms to account for deviations from an ideal elliptical parabolic confining potential in realistic dots. We also calculate density plots of the mixed states for the modified potential.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000266674300024 Publication Date 2009-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 5 Open Access  
  Notes Approved Most recent IF: 3.411; 2009 IF: 3.554  
  Call Number UA @ lucian @ c:irua:77380 Serial 2139  
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Author Martens, T.; Bogaerts, A.; Brok, W.J.M.; van der Mullen, J.J.A.M. doi  openurl
  Title (up) Modeling study on the influence of the pressure on a dielectric barrier discharge microplasma Type A1 Journal article
  Year 2007 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 22 Issue 9 Pages 1003-1042  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000248917300013 Publication Date 2007-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.379; 2007 IF: 3.269  
  Call Number UA @ lucian @ c:irua:64791 Serial 2140  
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Author Moors, K.; Sorée, B.; Magnus, W. url  doi
openurl 
  Title (up) Modeling surface roughness scattering in metallic nanowires Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 124307  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ando's model provides a rigorous quantum-mechanical framework for electron-surface roughness scattering, based on the detailed roughness structure. We apply this method to metallic nanowires and improve the model introducing surface roughness distribution functions on a finite domain with analytical expressions for the average surface roughness matrix elements. This approach is valid for any roughness size and extends beyond the commonly used Prange-Nee approximation. The resistivity scaling is obtained from the self-consistent relaxation time solution of the Boltzmann transport equation and is compared to Prange-Nee's approach and other known methods. The results show that a substantial drop in resistivity can be obtained for certain diameters by achieving a large momentum gap between Fermi level states with positive and negative momentum in the transport direction. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000362565800032 Publication Date 2015-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 11 Open Access  
  Notes ; ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:129425 Serial 4207  
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Author Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. pdf  doi
openurl 
  Title (up) Modeling symmetric and defect-free carbon schwarzites into various zeolite templates Type A1 Journal article
  Year 2023 Publication Carbon Abbreviated Journal  
  Volume 215 Issue Pages 118385-118389  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001078649800001 Publication Date 2023-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 10.9 Times cited Open Access  
  Notes Approved Most recent IF: 10.9; 2023 IF: 6.337  
  Call Number UA @ admin @ c:irua:200314 Serial 9057  
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Author O'Regan, T.P.; Hurley, P.K.; Sorée, B.; Fischetti, M.V. doi  openurl
  Title (up) Modeling the capacitance-voltage response of In0.53Ga0.47As metal-oxide-semiconductor structures : charge quantization and nonparabolic corrections Type A1 Journal article
  Year 2010 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 96 Issue 21 Pages 213514,1-213514,3  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract The capacitance-voltage (C-V) characteristic is calculated for p-type In<sub>0.53</sub>Ga<sub>0.47</sub>As metal-oxide-semiconductor (MOS) structures based on a self-consistent PoissonSchrödinger solution. For strong inversion, charge quantization leads to occupation of the satellite valleys which appears as a sharp increase in the capacitance toward the oxide capacitance. The results indicate that the charge quantization, even in the absence of interface defects (D<sub>it</sub>), is a contributing factor to the experimental observation of an almost symmetric C-V response for In<sub>0.53</sub>Ga<sub>0.47</sub>As MOS structures. In addition, nonparabolic corrections are shown to enhance the depopulation of the Γ valley, shifting the capacitance increase to lower inversion charge densities.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000278183200090 Publication Date 2010-05-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 26 Open Access  
  Notes Approved Most recent IF: 3.411; 2010 IF: 3.841  
  Call Number UA @ lucian @ c:irua:89509 Serial 2143  
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Author Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M. pdf  doi
openurl 
  Title (up) Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal Type A1 Journal article
  Year 2021 Publication Radiation Measurements Abbreviated Journal Radiat Meas  
  Volume 142 Issue Pages 106564  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000639160300003 Publication Date 2021-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4487 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.442 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.442  
  Call Number UA @ admin @ c:irua:178307 Serial 8265  
Permanent link to this record
 

 
Author Kolev, S.; Paunska, T.; Trenchev, G.; Bogaerts, A. url  doi
openurl 
  Title (up) Modeling the CO2 dissociation in pulsed atmospheric-pressure discharge Type P1 Proceeding
  Year 2020 Publication Technologies Abbreviated Journal  
  Volume Issue Pages 012007  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract CO2 dissociation and its subsequent conversion into added-value chemicals is a promising strategy for recycling CO2 gas into reusable products. One of the possible methods is direct plasma-induced dissociation. In this work we study the efficiency of CO2 dissociation in pulsed atmospheric-pressure gas discharge between two conducting electrodes by a 0-D numerical plasma model. The purpose of the study is to provide results on the optimal conditions of CO2 conversion with respect to the energy efficiency and dissociation by varying the maximum power density value and the pulse length. The power density is directly related to the discharge current and the reduced electric field in the discharge. We consider pulse lengths in the range from hundreds of nanosecond up to milliseconds. The results obtained show that the dissociation degree and energy efficiency are sensitive to the pulse length (duration) and the power density, so that a considerable improvement of the discharge performance can be achieved by fine-tuning these parameters. The study is intended to provide guidance in designing an experimental set-up and a power supply with the characteristics necessary to achieve optimal conversion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000593712900007 Publication Date 2020-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 1492 Series Issue Edition  
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:174447 Serial 6769  
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