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Author Georgieva, V.; Todorov, I.T.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential Type (up) A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 485 Issue 4/6 Pages 315-319  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000273782600010 Publication Date 2010-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 16 Open Access  
  Notes Approved Most recent IF: 1.815; 2010 IF: 2.282  
  Call Number UA @ lucian @ c:irua:80023 Serial 2170  
Permanent link to this record
 

 
Author Jian-Ping, N.; Xiao-Dan, L.; Cheng-Li, Z.; You-Min, Q.; Ping-Ni, H.; Bogaerts, A.; Fu-Jun, G. openurl 
  Title Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface Type (up) A1 Journal article
  Year 2010 Publication Wuli xuebao Abbreviated Journal Acta Phys Sin-Ch Ed  
  Volume 59 Issue 10 Pages 7225-7231  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.  
  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 1000-3290 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.624 Times cited Open Access  
  Notes Approved Most recent IF: 0.624; 2010 IF: 1.259  
  Call Number UA @ lucian @ c:irua:95564 Serial 2171  
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Author Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M. doi  openurl
  Title Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC Type (up) A1 Journal article
  Year 2005 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal Nucl Instrum Meth B  
  Volume 228 Issue Pages 315-318  
  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 000226669800052 Publication Date 2004-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.109 Times cited 19 Open Access  
  Notes Approved Most recent IF: 1.109; 2005 IF: 1.181  
  Call Number UA @ lucian @ c:irua:49873 Serial 2172  
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M. doi  openurl
  Title Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species Type (up) A1 Journal article
  Year 2004 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 13 Issue Pages 1873-1881  
  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 000223883400021 Publication Date 2004-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 53 Open Access  
  Notes Approved Most recent IF: 2.561; 2004 IF: 1.670  
  Call Number UA @ lucian @ c:irua:48276 Serial 2173  
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Author Brault, P.; Neyts, E.C. pdf  url
doi  openurl
  Title Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering Type (up) A1 Journal article
  Year 2015 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 256 Issue 256 Pages 3-12  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000360085300002 Publication Date 2015-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 18 Open Access  
  Notes Approved Most recent IF: 4.636; 2015 IF: 3.893  
  Call Number c:irua:127408 Serial 2174  
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Author Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulations of Cl+ etching on a Si(100) surface Type (up) A1 Journal article
  Year 2010 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 107 Issue 11 Pages 113305,1-113305,6  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000278907100018 Publication Date 2010-06-04  
  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 15 Open Access  
  Notes Approved Most recent IF: 2.068; 2010 IF: 2.079  
  Call Number UA @ lucian @ c:irua:82663 Serial 2175  
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Author Neyts, E.; Eckert, M.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy Type (up) A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos  
  Volume 13 Issue 6/7 Pages 312-318  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000248381800007 Publication Date 2007-07-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.333 Times cited 14 Open Access  
  Notes Approved Most recent IF: 1.333; 2007 IF: 1.936  
  Call Number UA @ lucian @ c:irua:64532 Serial 2176  
Permanent link to this record
 

 
Author Eckert, M.; Neyts, E.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films Type (up) A1 Journal article
  Year 2008 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos  
  Volume 14 Issue 7/8 Pages 213-223  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000259302700008 Publication Date 2008-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.333 Times cited 25 Open Access  
  Notes Approved Most recent IF: 1.333; 2008 IF: 1.483  
  Call Number UA @ lucian @ c:irua:70001 Serial 2177  
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Author van Ham, R.; Adriaens, A.; van Vaeck, L.; Gijbels, R.; Adams, F. doi  openurl
  Title Molecular information in static SIMS for the speciation of inorganic compounds Type (up) A1 Journal article
  Year 2000 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal Nucl Instrum Meth B  
  Volume 161/163 Issue Pages 245-249  
  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 000086204100043 Publication Date 2003-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.109 Times cited 19 Open Access  
  Notes Approved Most recent IF: 1.109; 2000 IF: 0.955  
  Call Number UA @ lucian @ c:irua:27853 Serial 2178  
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Author Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Adams, F. doi  openurl
  Title Molecular speciation of inorganic mixtures by Fourier transform laser microprobe mass sepctrometry Type (up) A1 Journal article
  Year 2003 Publication International journal of mass spectrometry Abbreviated Journal Int J Mass Spectrom  
  Volume 225 Issue Pages 213-224  
  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 000181179500002 Publication Date 2003-02-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-3806; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.702 Times cited 9 Open Access  
  Notes Approved Most recent IF: 1.702; 2003 IF: 2.361  
  Call Number UA @ lucian @ c:irua:41595 Serial 2183  
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Author Martín, A.; Bordel, N.; Pereiro, R.; Bogaerts, A. doi  openurl
  Title Monte Carlo analysis of the electron thermalization process in the afterglow of a microsecond dc pulsed glow discharge Type (up) A1 Journal article
  Year 2008 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 63 Issue 11 Pages 1274-1282  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A Monte Carlo model is utilized for studying the behavior of electrons in the afterglow of an analytical microsecond dc pulsed glow discharge. This model uses several quantities as input data, such as electric field and potential, ion flux at the cathode, the fast argon ion and atom impact ionization rates, slow electron density, the electrical characterization of the pulse (voltage and current profiles) and temperature profile. These quantities were obtained by earlier Monte Carlo fluid calculations for a pulsed discharge. Our goal is to study the behavior of the so-called Monte Carlo electrons (i.e., those electrons created at the cathode or by ionization collisions in the plasma which are followed by using the Monte Carlo model) from their origin to the moment when they are absorbed at the cell walls or when they have lost their energy by collisions (being transferred to the group of slow electrons) in the afterglow of the pulsed discharge. The thermalization of the electrons is a phenomenon where the electron-electron Coulomb collisions acquire a special importance. Indeed, in the afterglow the cross sections of the other electron reactions taken into account in the model are very low, because of the very low electron energy. We study the electron energy distributions at several times during and after the pulse and at several positions in the plasma cell, focusing on the thermalization and on the behavior of the electrons in the afterglow. Also, the time evolution of the rates of the various collision processes, the average electron energy, the densities of Monte Carlo and slow electrons and the ionization degree are investigated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000261905500008 Publication Date 2008-10-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.241 Times cited 9 Open Access  
  Notes Approved Most recent IF: 3.241; 2008 IF: 2.853  
  Call Number UA @ lucian @ c:irua:71271 Serial 2195  
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Author Liu, Y.H.; Neyts, E.; Bogaerts, A. doi  openurl
  Title Monte Carlo method for simulations of adsorbed atom diffusion on a surface Type (up) A1 Journal article
  Year 2006 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 15 Issue 10 Pages 1629-1635  
  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 000241224000021 Publication Date 2006-03-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 5 Open Access  
  Notes Approved Most recent IF: 2.561; 2006 IF: 1.935  
  Call Number UA @ lucian @ c:irua:59633 Serial 2196  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title Monte Carlo model for the argon ions and fast argon atoms in a radio-frequency discharge Type (up) A1 Journal article
  Year 1999 Publication IEEE transactions on plasma science Abbreviated Journal Ieee T Plasma Sci  
  Volume 27 Issue 5 Pages 1406-1415  
  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 000083453000023 Publication Date 2002-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0093-3813; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.052 Times cited 15 Open Access  
  Notes Approved Most recent IF: 1.052; 1999 IF: 1.085  
  Call Number UA @ lucian @ c:irua:28321 Serial 2197  
Permanent link to this record
 

 
Author Bogaerts, A.; van Straaten, M.; Gijbels, R. doi  openurl
  Title Monte Carlo simulation of an analytical glow discharge: motion of electrons, ions and fast neutrals in the cathode dark space Type (up) A1 Journal article
  Year 1995 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 50 Issue Pages 179-196  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos A1995QW79100005 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.176 Times cited 95 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12268 Serial 2198  
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Author Lindner, H.; Bogaerts, A. doi  openurl
  Title Multi-element model for the simulation of inductively coupled plasmas : effects of helium addition to the central gas stream Type (up) A1 Journal article
  Year 2011 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 66 Issue 6 Pages 421-431  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A model for an atmospheric pressure inductively coupled plasma (ICP) is developed which allows rather easy extension to a variable number of species and ionisation degrees. This encompasses an easy calculation of transport parameters for mixtures, ionisation and heat capacity. The ICP is modeled in an axisymmetric geometry, taking into account the gas streaming into a flowing ambient gas. A mixture of argon and helium is applied in the injector gas stream as it is often done in laser ablation ICP spectrometry. The results show a strong influence of the added helium on the center of the ICP, which is important for chemical analysis. The length of the central channel is significantly increased and the temperature inside is significantly higher than in the case of pure argon. This means that higher gas volume flow rates can be applied by addition of helium compared to the use of pure argon. This has the advantage that the gas velocity in the transport system towards the ICP can be increased, which allows shorter washout-times. Consequently, shorter measurement times can be achieved, e.g. for spatial mapping analyses in laser ablation ICP spectrometry. Furthermore, the higher temperature and the longer effective plasma length will increase the maximum size of droplets or particles injected into the ICP that are completely evaporated at the detection site. Thus, we expect an increase of the analytical performance of the ICP by helium addition to the injector gas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000293488700003 Publication Date 2011-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.241 Times cited 28 Open Access  
  Notes Approved Most recent IF: 3.241; 2011 IF: 2.876  
  Call Number UA @ lucian @ c:irua:90190 Serial 2209  
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Author Liu, Y.H.; Chen, Z.Y.; Yu, M.Y.; Bogaerts, A. url  doi
openurl 
  Title Multiple void formation in plasmas containing multispecies charged grains Type (up) A1 Journal article
  Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 74 Issue Pages 056401,1-6  
  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 000242408800037 Publication Date 2006-11-14  
  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 21 Open Access  
  Notes Approved Most recent IF: 2.366; 2006 IF: 2.438  
  Call Number UA @ lucian @ c:irua:60424 Serial 2233  
Permanent link to this record
 

 
Author Bleiner, D.; Bogaerts, A. doi  openurl
  Title Multiplicity and contiguity of ablation mechanisms in laser-assisted analytical micro-sampling Type (up) A1 Journal article
  Year 2006 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 61 Issue 4 Pages 421-432  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000238887600008 Publication Date 2006-03-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.241 Times cited 48 Open Access  
  Notes Approved Most recent IF: 3.241; 2006 IF: 3.092  
  Call Number UA @ lucian @ c:irua:58156 Serial 2234  
Permanent link to this record
 

 
Author Neyts, E.C.; Ostrikov, K.(K.) pdf  url
doi  openurl
  Title Nanoscale thermodynamic aspects of plasma catalysis Type (up) A1 Journal article
  Year 2015 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 256 Issue 256 Pages 23-28  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000360085300004 Publication Date 2015-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 14 Open Access  
  Notes Approved Most recent IF: 4.636; 2015 IF: 3.893  
  Call Number c:irua:127409 Serial 2274  
Permanent link to this record
 

 
Author Bogaerts, A.; Chen, Z. doi  openurl
  Title Nanosecond laser ablation of Cu: modeling of the expansion in He background gas, and comparison with expansion in vacuum Type (up) A1 Journal article
  Year 2004 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 19 Issue Pages 1169-1176  
  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 000223738000015 Publication Date 2004-09-07  
  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 39 Open Access  
  Notes Approved Most recent IF: 3.379; 2004 IF: 3.926  
  Call Number UA @ lucian @ c:irua:47649 Serial 2275  
Permanent link to this record
 

 
Author Georgieva, V.; Bogaerts, A. url  doi
openurl 
  Title Negative ion behavior in single- and dual-frequency plasma etching reactors: particle-in-cell/Monte Carlo collision study Type (up) A1 Journal article
  Year 2006 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 73 Issue 3 Pages 036402,1-9  
  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 000236467700081 Publication Date 2006-06-10  
  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 7 Open Access  
  Notes Approved Most recent IF: 2.366; 2006 IF: 2.438  
  Call Number UA @ lucian @ c:irua:57764 Serial 2290  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title New developments and applications in GDMS Type (up) A1 Journal article
  Year 1999 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem  
  Volume 364 Issue Pages 367-375  
  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 000081637500002 Publication Date 2002-08-25  
  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 17 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:24923 Serial 2311  
Permanent link to this record
 

 
Author van Vaeck, L.; van Espen, P.; Gijbels, R.; Baykut, G.; Laukien, F.H. doi  openurl
  Title A new electrostatic transfer line for improved transmission in Fourier transform laser microprobe mass spectrometry with external ion source Type (up) A1 Journal article
  Year 2000 Publication European mass spectrometry Abbreviated Journal Eur Mass Spectrom  
  Volume 6 Issue Pages 277-287  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Chemometrics (Mitac 3)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher I.M. Place of Publication Chichester Editor  
  Language Wos 000165327900008 Publication Date 2007-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1356-1049; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 10 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:34088 Serial 2312  
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Author Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. pdf  doi
openurl 
  Title New mechanism for oxidation of native silicon oxide Type (up) A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 117 Issue 19 Pages 9819-9825  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000319649100032 Publication Date 2013-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 24 Open Access  
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:107989 Serial 2321  
Permanent link to this record
 

 
Author Mao, M.; Benedikt, J.; Consoli, A.; Bogaerts, A. doi  openurl
  Title New pathways for nanoparticle formation in acetylene dusty plasmas: a modelling investigation and comparison with experiments Type (up) A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, the initial mechanisms of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas are investigated by means of a comprehensive self-consistent one-dimensional (1D) fluid model. This model is an extension of the 1D fluid model, developed earlier by De Bleecker et al. Based on the comparison of our previous results with available experimental data for acetylene plasmas in the literature, some new mechanisms for negative ion formation and growth are proposed. Possible routes are considered for the formation of larger (linear and branched) hydrocarbons C2nH2 (n = 3, 4, 5), which contribute to the generation of C2nH− anions (n = 3, 4, 5) due to dissociative electron attachment. Moreover, the vinylidene anion (H2CC−) and higher anions (n = 24) are found to be important plasma species.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000260738100024 Publication Date 2008-10-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 47 Open Access  
  Notes Approved Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:71018 Serial 2330  
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Author Van Gaens, W.; Iseni, S.; Schmidt-Bleker, A.; Weltmann, K.-D.; Reuter, S.; Bogaerts, A. url  doi
openurl 
  Title Numerical analysis of the effect of nitrogen and oxygen admixtures on the chemistry of an argon plasma jet operating at atmospheric pressure Type (up) A1 Journal article
  Year 2015 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 17 Issue 17 Pages 033003  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper we study the cold atmospheric pressure plasma jet, called kinpen, operating in Ar with different admixture fractions up to 1% pure , and + . Moreover, the device is operating with a gas curtain of dry air. The absolute net production rates of the biologically active ozone () and nitrogen dioxide () species are measured in the far effluent by quantum cascade laser absorption spectroscopy in the mid-infrared. Additionally, a zero-dimensional semi-empirical reaction kinetics model is used to calculate the net production rates of these reactive molecules, which are compared to the experimental data. The latter model is applied throughout the entire plasma jet, starting already within the device itself. Very good qualitative and even quantitative agreement between the calculated and measured data is demonstrated. The numerical model thus yields very useful information about the chemical pathways of both the and the generation. It is shown that the production of these species can be manipulated by up to one order of magnitude by varying the amount of admixture or the admixture type, since this affects the electron kinetics significantly at these low concentration levels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000352898500003 Publication Date 2015-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 29 Open Access  
  Notes Approved Most recent IF: 3.786; 2015 IF: 3.558  
  Call Number c:irua:124228 Serial 2391  
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Author Van Gaens, W.; Bruggeman, P.J.; Bogaerts, A. url  doi
openurl 
  Title Numerical analysis of the NO and O generation mechanism in a needle-type plasma jet Type (up) A1 Journal article
  Year 2014 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 16 Issue Pages 063054  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper we study two cold atmospheric pressure plasma jets, operating in Ar + 2% air, with a different electrode geometry but with the same power dissipated in the plasma. The density profiles of the biomedically active NO and O species throughout the plasma jet, previously obtained by laser diagnostics, are calculated by means of a zero-dimensional semi-empirical reaction kinetics model. A good agreement between the calculated and measured data is demonstrated. Furthermore, the most probable spatial power distribution in an RF driven plasma jet is obtained for the first time by comparing measured and calculated species density profiles. This was possible due to the strong effect of the power distribution on the NO and O density profiles. In addition the dominant reaction pathways for both the NO and the O species are identified. The model allows us to obtain key information on the reactive species production inside the jet, which is difficult to access by laser diagnostics in a coaxial geometry. Finally, we demonstrate that water impurities in the order of 100 ppm in the gas feed can have a significant effect on the spatial distribution of the NO and O density.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000339081400006 Publication Date 2014-06-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 34 Open Access  
  Notes Approved Most recent IF: 3.786; 2014 IF: 3.558  
  Call Number UA @ lucian @ c:irua:117946 Serial 2392  
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Author Jiang, W.; Zhang, Y.; Bogaerts, A. url  doi
openurl 
  Title Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors Type (up) A1 Journal article
  Year 2014 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 16 Issue Pages 113036  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000346763400006 Publication Date 2014-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited Open Access  
  Notes Approved Most recent IF: 3.786; 2014 IF: 3.558  
  Call Number UA @ lucian @ c:irua:120455 Serial 2393  
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Author Gul, B.; Tinck, S.; De Schepper, P.; Aman-ur-Rehman; Bogaerts, A. pdf  url
doi  openurl
  Title Numerical investigation of HBr/He transformer coupled plasmas used for silicon etching Type (up) A1 Journal article
  Year 2015 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 48 Issue 48 Pages 025202  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A two-dimensional hybrid Monte Carlofluid model is applied to study HBr/He inductively coupled plasmas used for etching of Si. Complete sets of gas-phase and surface reactions are presented and the effects of the gas mixing ratio on the plasma characteristics and on the etch rates are discussed. A comparison with experimentally measured etch rates is made to validate the modelling results. The etch rate in the HBr plasma is found to be quite low under the investigated conditions compared to typical etch rates of Si with F- or Cl-containing gases. This allows for a higher control and fine-tuning of the etch rate when creating ultra-small features. Our calculations predict a higher electron temperature at higher He fraction, because the electrons do not lose their energy so efficiently in vibrational and rotational excitations. As a consequence, electron impact ionization and dissociation become more important, yielding higher densities of ions, electrons and H atoms. This results in more pronounced sputtering of the surface. Nevertheless, the overall etch rate decreases upon increasing He fraction, suggesting that chemical etching is still the determining factor for the overall etch rate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000347980100011 Publication Date 2014-12-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 7 Open Access  
  Notes Approved Most recent IF: 2.588; 2015 IF: 2.721  
  Call Number c:irua:121335 Serial 2394  
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Author Georgieva, V.; Bogaerts, A.; Gijbels, R. url  doi
openurl 
  Title Numerical investigation of ion energy distribution functions in single and dual frequency capacitively coupled plasma reactors Type (up) A1 Journal article
  Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 69 Issue Pages 026406  
  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 000220255500058 Publication Date 2004-02-24  
  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 97 Open Access  
  Notes Approved Most recent IF: 2.366; 2004 IF: NA  
  Call Number UA @ lucian @ c:irua:44025 Serial 2395  
Permanent link to this record
 

 
Author de Bleecker, K.; Bogaerts, A.; Gijbels, R.; Goedheer, W. doi  openurl
  Title Numerical investigation of particle formation mechanisms in silane discharges Type (up) A1 Journal article
  Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 69 Issue Pages 056409,1-16  
  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 000221813400085 Publication Date 2004-05-26  
  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 74 Open Access  
  Notes Approved Most recent IF: 2.366; 2004 IF: NA  
  Call Number UA @ lucian @ c:irua:45497 Serial 2396  
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