toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers Type A1 Journal article
  Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 96 Issue 10 Pages 7633-7645
  Keywords (down) 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 A1992HU55700047 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 59 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4195 Serial 1206
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers Type A1 Journal article
  Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 97 Issue 5 Pages 3530-3536
  Keywords (down) 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 A1992JL37200072 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 22 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4197 Serial 1207
Permanent link to this record
 

 
Author Vande Velde, C.; Bultinck, E.; Tersago, K.; van Alsenoy, C.; Blockhuys, F.
  Title From anisole to 1,2,4,5-tetramethoxybenzene: theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring Type A1 Journal article
  Year 2007 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem
  Volume 107 Issue 3 Pages 670-679
  Keywords (down) 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 000242706900016 Publication Date 2006-10-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.92 Times cited 14 Open Access
  Notes Approved Most recent IF: 2.92; 2007 IF: 1.368
  Call Number UA @ lucian @ c:irua:60633 Serial 1279
Permanent link to this record
 

 
Author Vertes, A.; Irinyi, G.; Gijbels, R.
  Title Hydrodynamic model of matrix-assisted laser desorption mass spectrometry Type A1 Journal article
  Year 1993 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 65 Issue Pages 2389-2393
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos A1993LU63400039 Publication Date 2007-05-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.636 Times cited 100 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
  Call Number UA @ lucian @ c:irua:6161 Serial 1530
Permanent link to this record
 

 
Author Cidu, R.; Fanfani, L.; Shand, P.; Edmunds, W.M.; Van 't dack, L.; Gijbels, R.
  Title Hydrogeochemical exploration for gold in the Osilo area, Sardinia, Italy Type A1 Journal article
  Year 1995 Publication Applied geochemistry Abbreviated Journal Appl Geochem
  Volume 10 Issue Pages 517-530
  Keywords (down) 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 A1995TP12700003 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0883-2927; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.268 Times cited 10 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12273 Serial 1536
Permanent link to this record
 

 
Author Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T.
  Title Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation Type A1 Journal article
  Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 15 Pages 4818-4823
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Using reactive molecular dynamics simulations, we have investigated the effect of single-impact, low-energy (thermal-100 eV) bombardment of a Si(100){2 × 1} surface by atomic and molecular oxygen. Penetration probability distributions, as well as defect formation distributions, are presented as a function of the impact energy for both species. It is found that at low impact energy, defects are created chemically due to the chemisorption process in the top layers of the surface, while at high impact energy, additional defects are created by a knock-on displacement of Si. These results are of particular importance for understanding device performances of silica-based microelectronic and photovoltaic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000288401200060 Publication Date 2011-03-02
  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 28 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:89858 Serial 1543
Permanent link to this record
 

 
Author van Straaten, M.; Gijbels, R.; Vertes, A.
  Title Influence of axial and radial diffusion processes on the analytical performance of a glow discharge cell Type A1 Journal article
  Year 1992 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 64 Issue Pages 1855-1863
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos A1992JK79600022 Publication Date 2005-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.636 Times cited 43 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4199 Serial 1617
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.
  Title Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 8 Issue 17 Pages 2066-2071
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000236970300011 Publication Date 2006-03-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 7 Open Access
  Notes Approved Most recent IF: 4.123; 2006 IF: 2.892
  Call Number UA @ lucian @ c:irua:57353 Serial 1625
Permanent link to this record
 

 
Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
  Title Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field Type A1 Journal article
  Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 134 Issue 2 Pages 1256-1260
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000301084300086 Publication Date 2011-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 56 Open Access
  Notes Approved Most recent IF: 13.858; 2012 IF: 10.677
  Call Number UA @ lucian @ c:irua:97163 Serial 1673
Permanent link to this record
 

 
Author Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K.
  Title Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium Type A1 Journal article
  Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 35 Pages 17523-17532
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000294386000037 Publication Date 2011-08-01
  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 9 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:91714 Serial 1980
Permanent link to this record
 

 
Author Adriaensen, L.; Vangaever, F.; Gijbels, R.
  Title Metal-assisted secondary ion mass spectrometry: the influence of Ag and Au deposition on molecular ion yields Type A1 Journal article
  Year 2004 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 76 Issue 22 Pages 6777-6785
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000225076400033 Publication Date 2004-11-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 67 Open Access
  Notes Approved Most recent IF: 6.32; 2004 IF: 5.450
  Call Number UA @ lucian @ c:irua:51980 Serial 2006
Permanent link to this record
 

 
Author Poels, K.; van Vaeck, L.; Gijbels, R.
  Title Microprobe speciation analysis of inorganic solids by Fourier transform laser mass spectrometry Type A1 Journal article
  Year 1998 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 70 Issue Pages 504-512
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000071810400012 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 32 Open Access
  Notes Approved Most recent IF: 6.32; 1998 IF: 4.580
  Call Number UA @ lucian @ c:irua:19338 Serial 2026
Permanent link to this record
 

 
Author Vandenbroucke, A.M.; Aerts, R.; Van Gaens, W.; De Geyter, N.; Leys, C.; Morent, R.; Bogaerts, A.
  Title Modeling and experimental study of trichloroethylene abatement with a negative direct current corona discharge Type A1 Journal article
  Year 2015 Publication Plasma chemistry and plasma processing Abbreviated Journal Plasma Chem Plasma P
  Volume 35 Issue 35 Pages 217-230
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this work, we study the abatement of dilute trichloroethylene (TCE) in air with a negative direct current corona discharge. A numerical model is used to theoretically investigate the underlying plasma chemistry for the removal of TCE, and a reaction pathway for the abatement of TCE is proposed. The Cl atom, mainly produced by dissociation of COCl, is one of the controlling species in the TCE destruction chemistry and contributes to the production of chlorine containing by-products. The effect of humidity on the removal efficiency is studied and a good agreement is found between experiments and the model for both dry (5 % relative humidity (RH)) and humid air (50 % RH). An increase of the relative humidity from 5 % to 50 % has a negative effect on the removal efficiency, decreasing by ±15 % in humid air. The main loss reactions for TCE are with ClO·, O· and CHCl2. Finally, the by-products and energy cost of TCE abatement are discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York Editor
  Language Wos 000347285800014 Publication Date 2014-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0272-4324;1572-8986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.355 Times cited 9 Open Access
  Notes Approved Most recent IF: 2.355; 2015 IF: 2.056
  Call Number c:irua:118882 Serial 2108
Permanent link to this record
 

 
Author Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S.
  Title 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 (down) 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.
  Title 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 (down) 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 Georgieva, V.; Todorov, I.T.; Bogaerts, A.
  Title Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential Type A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 485 Issue 4/6 Pages 315-319
  Keywords (down) 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 Neyts, E.; Eckert, M.; Bogaerts, A.
  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 A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 13 Issue 6/7 Pages 312-318
  Keywords (down) 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.
  Title Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films Type A1 Journal article
  Year 2008 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
  Volume 14 Issue 7/8 Pages 213-223
  Keywords (down) 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
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R.
  Title New developments and applications in GDMS Type A1 Journal article
  Year 1999 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
  Volume 364 Issue Pages 367-375
  Keywords (down) 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 Neyts, E.C.; Bogaerts, A.
  Title Numerical study of the size-dependent melting mechanisms of nickel nanoclusters Type A1 Journal article
  Year 2009 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 113 Issue 7 Pages 2771-2776
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos Publication Date 0000-00-00
  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 Open Access
  Notes Approved Most recent IF: 4.536; 2009 IF: 4.224
  Call Number UA @ lucian @ c:irua:76495 Serial 2410
Permanent link to this record
 

 
Author Kolev, I.; Bogaerts, A.
  Title Numerical study of the sputtering in a dc magnetron Type A1 Journal article
  Year 2009 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Phys Chem C
  Volume 27 Issue 1 Pages 20-28
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000263299600018 Publication Date 2009-02-03
  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 66 Open Access
  Notes Approved Most recent IF: 4.536; 2009 IF: 4.224
  Call Number UA @ lucian @ c:irua:71634 Serial 2411
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the effect of centrifugal stretching on the rotational partition function of an asymmetric top Type A1 Journal article
  Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 8374-8389
  Keywords (down) 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 A1991GR66500062 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 12 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:716 Serial 2434
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the heat formation of C8 and higher carbon clusters (letter to the editor) Type A1 Journal article
  Year 1991 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 95 Issue Pages 9420-9421
  Keywords (down) 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 A1991GV82500076 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.952 Times cited 27 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:719 Serial 2437
Permanent link to this record
 

 
Author Shariat, M.; Shokri, B.; Neyts, E.C.
  Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 590 Issue Pages 131-135
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000327721000024 Publication Date 2013-10-27
  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 14 Open Access
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991
  Call Number UA @ lucian @ c:irua:112775 Serial 2439
Permanent link to this record
 

 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
  Year 1993 Publication Chemical physics Abbreviated Journal Chem Phys
  Volume 178 Issue Pages 77-82
  Keywords (down) 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 A1993MP94200006 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.652 Times cited 9 Open Access
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
  Call Number UA @ lucian @ c:irua:6150 Serial 2453
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 Type A1 Journal article
  Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 193 Issue 4 Pages 243-250
  Keywords (down) 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 A1992HZ32800007 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 42 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4194 Serial 2455
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C.
  Title On the time scale associated with Monte Carlo simulations Type A1 Journal article
  Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 141 Issue 20 Pages 204104
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000345641400005 Publication Date 2014-11-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 26 Open Access
  Notes Approved Most recent IF: 2.965; 2014 IF: 2.952
  Call Number UA @ lucian @ c:irua:120667 Serial 2459
Permanent link to this record
 

 
Author Lindner, H.; Autrique, D.; Garcia, C.C.; Niemax, K.; Bogaerts, A.
  Title Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry Type A1 Journal article
  Year 2009 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 81 Issue 11 Pages 4241-4248
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000266601800014 Publication Date 2009-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 18 Open Access
  Notes Approved Most recent IF: 6.32; 2009 IF: 5.214
  Call Number UA @ lucian @ c:irua:76935 Serial 2492
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.
  Title Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 Type A1 Journal article
  Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 189 Issue 6 Pages 529-536
  Keywords (down) 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 A1992HF18100008 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 50 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:4193 Serial 2685
Permanent link to this record
 

 
Author Gijbels, R.; Bogaerts, A.
  Title Recent trends in solids mass spectrometry: GDMS and other methods Type A1 Journal article
  Year 1997 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
  Volume 359 Issue Pages 326-330
  Keywords (down) 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 A1997YC02800004 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 5 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:19607 Serial 2841
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: