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Author Neyts, E.; Eckert, M.; Mao, M.; Bogaerts, A. doi  openurl
  Title Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films Type A1 Journal article
  Year 2009 Publication Plasma physics and controlled fusion Abbreviated Journal Plasma Phys Contr F  
  Volume 51 Issue Pages 124034,1-124034,8  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This paper outlines two different numerical simulation approaches, carried out by our group, used for describing hydrocarbon plasmas in their applications for either nanoparticle formation in the plasma or the growth of nanostructured thin films, such as nanocrystalline diamond (NCD). A plasma model based on the fluid approach is utilized to study the initial mechanisms giving rise to nanoparticle formation in an acetylene plasma. The growth of NCD is investigated by molecular dynamics simulations, describing the interaction of the hydrocarbon species with a substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000271940800045 Publication Date 2009-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3335;1361-6587; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.392 Times cited 2 Open Access  
  Notes Approved Most recent IF: 2.392; 2009 IF: 2.409  
  Call Number UA @ lucian @ c:irua:79132 Serial 2405  
Permanent link to this record
 
 
Author Mao, M.; Wang, Y.N.; Bogaerts, A. pdf  doi
openurl 
  Title Numerical study of the plasma chemistry in inductively coupled SF6 and SF6/AR plasmas used for deep silicon etching applications Type A1 Journal article
  Year 2011 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 44 Issue 43 Pages 435202,1-435202,15  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A hybrid model, called the hybrid plasma equipment model, was used to study inductively coupled SF6 plasmas used for Si etching applications. The plasma properties such as number densities of electrons, positive and negative ions, and neutrals are calculated under typical etching conditions. The electron kinetics is analysed by means of the electron energy probability function. The plasma chemistry taking place in pure SF6 and in an Ar/SF6 mixture is also discussed, and finally the effect of the argon fraction on the plasma properties is investigated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000296591100004 Publication Date 2011-10-13  
  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 20 Open Access  
  Notes Approved Most recent IF: 2.588; 2011 IF: 2.544  
  Call Number UA @ lucian @ c:irua:91754 Serial 2409  
Permanent link to this record
 
 
Author Aghaei, M.; Flamigni, L.; Lindner, H.; Günther, D.; Bogaerts, A. pdf  doi
openurl 
  Title Occurrence of gas flow rotational motion inside the ICP torch : a computational and experimental study Type A1 Journal article
  Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 29 Issue 2 Pages 249-261  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An inductively coupled plasma, connected to the sampling cone of a mass spectrometer, is computationally investigated. The occurrence of rotational motion of the auxiliary and carrier gas flows is studied. The effects of operating parameters, i.e., applied power and gas flow rates, as well as geometrical parameters, i.e., sampler orifice diameter and injector inlet diameter, are investigated. Our calculations predict that at higher applied power the auxiliary and carrier gas flows inside the torch move more forward to the sampling cone, which is validated experimentally for the auxiliary gas flow, by means of an Elan 6000 ICP-MS. Furthermore, an increase of the gas flow rates can also modify the occurrence of rotational motion. This is especially true for the carrier gas flow rate, which has a more pronounced effect to reduce the backward motion than the flow rates of the auxiliary and cooling gas. Moreover, a larger sampler orifice (e.g., 2 mm instead of 1 mm) reduces the backward flow of the auxiliary gas path lines. Finally, according to our model, an injector inlet of 2 mm diameter causes more rotations in the carrier gas flow than an injector inlet diameter of 1.5 mm, which can be avoided again by changing the operating parameters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000329934000005 Publication Date 2013-11-14  
  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 21 Open Access  
  Notes Approved Most recent IF: 3.379; 2014 IF: 3.466  
  Call Number UA @ lucian @ c:irua:112896 Serial 2427  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  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. openurl 
  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. doi  openurl
  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. openurl 
  Title On the quasi-random entropy of linear species Type A1 Journal article
  Year 1993 Publication Theochem: applications of theoretical chemistry to organic, inorganic and biological problems Abbreviated Journal  
  Volume 99 Issue Pages 83-87  
  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 A1993KU09200010 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0166-1280 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:6147 Serial 2448  
Permanent link to this record
 
 
Author Eckert, M.; Neyts, E.; Bogaerts, A. doi  openurl
  Title On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation Type A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue Pages 032006,1-3  
  Keywords (down) 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 000253177800006 Publication Date 2008-01-09  
  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 17 Open Access  
  Notes Approved Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:66107 Serial 2449  
Permanent link to this record
 
 
Author Martens, T.; Brok, W.J.M.; van Dijk, J.; Bogaerts, A. doi  openurl
  Title On the regime transitions during the formation of an atmospheric pressure dielectric barrier glow discharge Type A1 Journal article
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 12 Pages 122002,1-122002,5  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The atmospheric pressure dielectric barrier discharge in helium is a pulsed discharge in nature. If during the electrical current pulse a glow discharge is reached, then this pulse will last only a few microseconds in operating periods of sinusoidal voltage with lengths of about 10 to 100 µs. In this paper we demonstrate that right before a glow discharge is reached, the discharge very closely resembles the commonly assumed Townsend discharge structure, but actually contains some significant differing features and hence should not be considered as a Townsend discharge. In order to clarify this, we present calculation results of high time and space resolution of the pulse formation. The results indicate that indeed a maximum of ionization is formed at the anode, but that the level of ionization remains high and that the electric field at that time is significantly disturbed. Our results also show where this intermediate structure comes from.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000266639300002 Publication Date 2009-05-22  
  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 21 Open Access  
  Notes Approved Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:76458 Serial 2450  
Permanent link to this record
 
 
Author Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  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. doi  openurl
  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. url  doi
openurl 
  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 Chen, Z.; Feng, X.; Xu, Y.; Yu, M.Y. pdf  doi
openurl 
  Title Optical bistability and multistability in four-level systems Type A1 Journal article
  Year 2003 Publication Physica scripta Abbreviated Journal Phys Scripta  
  Volume 68 Issue 3 Pages 199-204  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The optical behavior of a four-level system in a ring cavity driven by two coherent laser fields is studied. One laser field is treated as the incident field and the other the control field, respectively. It is found that there is optical transparency when the difference between the two frequency detunings of the incident and control fields from the corresponding atomic transition frequencies is zero. Optical bistability can be produced and controlled by increasing the magnitude of the frequency difference. The bistable hysteresis becomes larger when the frequency difference is increased. Further increase of the latter can lead to onset of multistability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Stockholm Editor  
  Language Wos 000185204400005 Publication Date 2003-08-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.28 Times cited 8 Open Access  
  Notes Approved Most recent IF: 1.28; 2003 IF: 0.688  
  Call Number UA @ lucian @ c:irua:94844 Serial 2471  
Permanent link to this record
 
 
Author Aghaei, M.; Lindner, H.; Bogaerts, A. pdf  doi
openurl 
  Title Optimization of operating parameters for inductively coupled plasma mass spectrometry : a computational study Type A1 Journal article
  Year 2012 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 76 Issue Pages 56-64  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An inductively coupled plasma, connected to a mass spectrometer interface, is computationally investigated. The effect of pressure behind the sampler, injector gas flow rate, auxiliary gas flow rate, and applied power is studied. There seems to be an optimum range of injector gas flow rate for each setup which guaranties the presence and also a proper length of the central channel in the torch. Moreover, our modeling results show that for any specific purpose, it is possible to control that either only the central gas flow passes through the sampler orifice or that it is accompanied by the auxiliary gas flow. It was also found that depending on geometry, the variation of outgoing gas flow rate is much less than the variation of the injector gas flow rate and this causes a slightly higher pressure inside the torch. The general effect of increasing the applied power is a rise in the plasma temperature, which results in a higher ionization in the coil region. However, the negative effect is reducing the length of the cool central channel which is important to transfer the sample substances to the sampler. Using a proper applied power can enhance the efficiency of the system. Indeed, by changing the gas path lines, the power can control which flow (i.e., only from injector gas or also from the auxiliary gas) goes to the sampler orifice. Finally, as also reported from experiments in literature, the pressure behind the sampler has no dramatic effect on the plasma characteristics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000311008600008 Publication Date 2012-06-23  
  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 18 Open Access  
  Notes Approved Most recent IF: 3.241; 2012 IF: 3.141  
  Call Number UA @ lucian @ c:irua:101356 Serial 2488  
Permanent link to this record
 
 
Author Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. url  doi
openurl 
  Title Oxidation of the GaAs(001) surface : insights from first-principles calculations Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 19 Pages 195307-195307,8  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000303755700006 Publication Date 2012-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 15 Open Access  
  Notes Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:99122 Serial 2538  
Permanent link to this record
 
 
Author Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. doi  openurl
  Title Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge Type A1 Journal article
  Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 93 Issue Pages 5025-5033  
  Keywords (down) 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 000182296700010 Publication Date 2003-04-17  
  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; 2003 IF: 2.171  
  Call Number UA @ lucian @ c:irua:44012 Serial 2562  
Permanent link to this record
 
 
Author Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. doi  openurl
  Title PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge Type A1 Journal article
  Year 2003 Publication Nuclear instruments and methods in physics research: B Abbreviated Journal Nucl Instrum Meth B  
  Volume 202 Issue Pages 300-304  
  Keywords (down) 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 000182122500048 Publication Date 2003-03-26  
  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 8 Open Access  
  Notes Approved Most recent IF: 1.109; 2003 IF: 1.041  
  Call Number UA @ lucian @ c:irua:44015 Serial 2620  
Permanent link to this record
 
 
Author Mao, M.; Bogaerts, A. url  doi
openurl 
  Title Plasma chemistry modeling for an inductively coupled plasma used for the growth of carbon nanotubes Type A1 Journal article
  Year 2011 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 275 Issue 1 Pages 012021,1-012021,9  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A hybrid model, called the hybrid plasma equipment model (HPEM), is used to describe the plasma chemistry in an inductively coupled plasma, operating in a gas mixture of C2H2 with either H2 or NH3, as typically used for carbon nanotube (CNT) growth. Two-dimensional profiles of power density, electron temperature and density, gas temperature, and densities of some plasma species are plotted and analyzed. Besides, the fluxes of the various plasma species towards the substrate (where the CNTs can be grown), as well as the decomposition rates of the feedstock gases (C2H2, NH3 and H2), are calculated as a function of the C2H2 fraction in both gas mixtures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos Publication Date 2011-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:85859 Serial 2631  
Permanent link to this record
 
 
Author Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. doi  openurl
  Title Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation Type A1 Journal article
  Year 2013 Publication Carbon Abbreviated Journal Carbon  
  Volume 65 Issue Pages 269-276  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000326773200031 Publication Date 2013-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 21 Open Access  
  Notes Approved Most recent IF: 6.337; 2013 IF: 6.160  
  Call Number UA @ lucian @ c:irua:112697 Serial 2635  
Permanent link to this record
 
 
Author Ostrikov, K.; Neyts, E.C.; Meyyappan, M. pdf  doi
openurl 
  Title Plasma nanoscience : from nano-solids in plasmas to nano-plasmas in solids Type A1 Journal article
  Year 2013 Publication Advances in physics Abbreviated Journal Adv Phys  
  Volume 62 Issue 2 Pages 113-224  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The unique plasma-specific features and physical phenomena in the organization of nanoscale soild-state systems in a broad range of elemental composition, structure, and dimensionality are critically reviewed. These effects lead to the possibility to localize and control energy and matter at nanoscales and to produce self-organized nano-solids with highly unusual and superior properties. A unifying conceptual framework based on the control of production, transport, and self-organization of precursor species is introduced and a variety of plasma-specific non-equilibrium and kinetics-driven phenomena across the many temporal and spatial scales is explained. When the plasma is localized to micrometer and nanometer dimensions, new emergent phenomena arise. The examples range from semiconducting quantum dots and nanowires, chirality control of single-walled carbon nanotubes, ultra-fine manipulation of graphenes, nano-diamond, and organic matter to nano-plasma effects and nano-plasmas of different states of matter.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000320913600001 Publication Date 2013-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0001-8732;1460-6976; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 21.818 Times cited 380 Open Access  
  Notes Approved Most recent IF: 21.818; 2013 IF: 18.062  
  Call Number UA @ lucian @ c:irua:108723 Serial 2639  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  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 van Cleempoel, A.; Gijbels, R.; Zhu, D.; Claeys, M.; Richter, H.; Fonseca, A. doi  openurl
  Title Quantitative determination of C60 and C70 in soot extracts by high performance liquid chromatography and mass spectrometric characterization Type A1 Journal article
  Year 1996 Publication Fullerene science and technology Abbreviated Journal Fuller Nanotub Car N  
  Volume 4 Issue Pages 1001-1017  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A quantitative HPLC method was applied to determine the amounts of C-60 and C-70 present in extracts of soot produced in the electric arc reactor and in flames. The combustion method was found to yield a higher C-70/C-60 ratio (0.67) compared with the evaporation experiment where the C-70/C-60 ratio amounts to 0.27.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos A1996VK45000015 Publication Date 2007-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1536-383X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.836 Times cited 6 Open Access  
  Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #  
  Call Number UA @ lucian @ c:irua:15612 Serial 2751  
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. url  doi
openurl 
  Title Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals Type A1 Journal article
  Year 2007 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 86 Issue Pages 12020-12020,15  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations using the Brenner potential have been performed to investigate reaction mechanisms of various hydrocarbon radicals with low kinetic energies on amorphous hydrogenated carbon (a-C:H) surfaces and to simulate thin a-C:H film growth. Experimental data from an expanding thermal plasma setup were used as input for the simulations. The hydrocarbon reaction mechanisms were studied both during growth of the films and on a set of surface sites specific for a-C:H surfaces. Thin film growth was studied using experimentally detected growth species. 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. 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 Bristol Editor  
  Language Wos 000256282900020 Publication Date 2007-11-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 22 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:65692 Serial 2817  
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Author Delabie, A.; Sioncke, S.; Rip, J.; Van Elshocht, S.; Pourtois, G.; Mueller, M.; Beckhoff, B.; Pierloot, K. doi  openurl
  Title Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates Type A1 Journal article
  Year 2012 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A  
  Volume 30 Issue 1 Pages 01a127-01a127,10  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this work, we have studied the TMA/H(2)O (TMA Al(CH(3))(3)) atomic layer deposition (ALD) of Al(2)O(3) on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H(2)O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH(3) groups are hydrolyzed by a H(2)O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH(3). The coordination of Al remains four-fold after the first TMA/H(2)O reaction cycle. (C) 2012 American Vacuum Society. [DOI: 10.1116/1.3664090]  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000298992800027 Publication Date 2011-12-02  
  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 41 Open Access  
  Notes Approved Most recent IF: 1.374; 2012 IF: 1.432  
  Call Number UA @ lucian @ c:irua:96253 Serial 2818  
Permanent link to this record
 
 
Author Neyts, E.; Tacq, M.; Bogaerts, A. doi  openurl
  Title Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 15 Issue 10 Pages 1663-1676  
  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 000241224000026 Publication Date 2006-03-08  
  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 18 Open Access  
  Notes Approved Most recent IF: 2.561; 2006 IF: 1.935  
  Call Number UA @ lucian @ c:irua:59634 Serial 2819  
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Author Bogaerts, A.; Yusupov, M.; Van der Paal, J.; Verlackt, C.C.W.; Neyts, E.C. pdf  doi
openurl 
  Title Reactive molecular dynamics simulations for a better insight in plasma medicine Type A1 Journal article
  Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 11 Issue 12 Pages 1156-1168  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000346034700007 Publication Date 2014-09-29  
  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 22 Open Access  
  Notes Approved Most recent IF: 2.846; 2014 IF: 2.453  
  Call Number UA @ lucian @ c:irua:121269 Serial 2822  
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Author Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. pdf  doi
openurl 
  Title Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 47 Issue 2 Pages 025205-25209  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The application of atmospheric pressure plasmas in medicine is increasingly gaining attention in recent years, although very little is currently known about the plasma-induced processes occurring on the surface of living organisms. It is known that most bio-organisms, including bacteria, are coated by a liquid film surrounding them, and there might be many interactions between plasma species and the liquid layer before the plasma species reach the surface of the bio-organisms. Therefore, it is essential to study the behaviour of the reactive species in a liquid film, in order to determine whether these species can travel through this layer and reach the biomolecules, or whether new species are formed along the way. In this work, we investigate the interaction of reactive oxygen species (i.e. O, OH, HO2 and H2O2) with water, which is assumed as a simple model system for the liquid layer surrounding biomolecules. Our computational investigations show that OH, HO2 and H2O2 can travel deep into the liquid layer and are hence in principle able to reach the bio-organism. Furthermore, O, OH and HO2 radicals react with water molecules through hydrogen-abstraction reactions, whereas no H-abstraction reaction takes place in the case of H2O2. This study is important to gain insight into the fundamental operating mechanisms in plasma medicine, in general, and the interaction mechanisms of plasma species with a liquid film, in particular.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000329108000013 Publication Date 2013-12-13  
  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 51 Open Access  
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721  
  Call Number UA @ lucian @ c:irua:112286 Serial 2823  
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title The rotational partition function of the symmetric top and the effect of K doubling thereon Type A1 Journal article
  Year 1991 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 187 Issue Pages 375-386  
  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 A1991GX46000006 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 6 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #  
  Call Number UA @ lucian @ c:irua:713 Serial 2931  
Permanent link to this record
 
 
Author Clima, S.; Sankaran, K.; Chen, Y.Y.; Fantini, A.; Celano, U.; Belmonte, A.; Zhang, L.; Goux, L.; Govoreanu, B.; Degraeve, R.; Wouters, D.J.; Jurczak, M.; Vandervorst, W.; Gendt, S.D.; Pourtois, G.; doi  openurl
  Title RRAMs based on anionic and cationic switching : a short overview Type A1 Journal article
  Year 2014 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R  
  Volume 8 Issue 6 Pages 501-511  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Resistive random access memories are emerging as a new type of memory that has the potential to combine both the speed of volatile and the retention of nonvolatile memories. It operates based on the formation/dissolution of a low-resistivity filament being constituted of either metallic ions or atomic vacancies within an insulating matrix. At present, the mechanisms and the parameters controlling the performances of the device remain unclear. In that respect, first-principles simulations provide useful insights on the atomistic mechanisms, the thermodynamic and kinetics factors that modulate the material conductivity, providing guidance into the engineering of the operation of the device. In this paper, we review the current state-of-the-art knowledge on the atomistic switching mechanisms driving the operation of copper-based conductive bridge RRAM and HfOx valence change RRAM. [GRAPHICS] Conceptual illustration of the RRAM device with the filament formation and disruption during its operation. AE/IM/CE are the active electrode/insulating matrix/counterelectrode. The blue circles represent the conducting defects. (C) 2014 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000338021200004 Publication Date 2014-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.032 Times cited 28 Open Access  
  Notes Approved Most recent IF: 3.032; 2014 IF: 2.142  
  Call Number UA @ lucian @ c:irua:118679 Serial 2933  
Permanent link to this record
 
 
Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. doi  openurl
  Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
  Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc  
  Volume 131 Issue 7 Pages 1238  
  Keywords (down) A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000307274300003 Publication Date 2012-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.89 Times cited 5 Open Access  
  Notes Approved Most recent IF: 1.89; 2012 IF: 2.233  
  Call Number UA @ lucian @ c:irua:101139 Serial 2935  
Permanent link to this record
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