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Author Bogaerts, A.; Neyts, E.; Gijbels, R.; van der Mullen, J.
Title Gas discharge plasmas and their applications Type A1 Journal article
Year (up) 2002 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
Volume 57 Issue Pages 609-658
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 000175779700001 Publication Date 2002-10-15
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 462 Open Access
Notes Approved Most recent IF: 3.241; 2002 IF: 2.695
Call Number UA @ lucian @ c:irua:40181 Serial 1317
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Author Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R.
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 (up) 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 93 Issue Pages 5025-5033
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 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
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Author Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R.
Title PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge Type A1 Journal article
Year (up) 2003 Publication Nuclear instruments and methods in physics research: B Abbreviated Journal Nucl Instrum Meth B
Volume 202 Issue Pages 300-304
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 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
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Author Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M.
Title Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species Type A1 Journal article
Year (up) 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 Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M.
Title Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC Type A1 Journal article
Year (up) 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
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Author Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E.
Title Numerical modeling for a better understanding of gas discharge plasmas Type A1 Journal article
Year (up) 2005 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
Volume 9 Issue 3 Pages 321-344
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000231634100001 Publication Date 2005-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:55832 Serial 2398
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Author Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E.
Title Computer simulations for processing plasmas Type A1 Journal article
Year (up) 2006 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 3 Issue 2 Pages 110-119
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 000235628300003 Publication Date 2006-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850;1612-8869; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 8 Open Access
Notes Approved Most recent IF: 2.846; 2006 IF: 2.298
Call Number UA @ lucian @ c:irua:56076 Serial 465
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Densification of thin a-C: H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study Type A1 Journal article
Year (up) 2006 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 39 Issue 9 Pages 1948-1953
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 000238233900035 Publication Date 2006-04-21
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 3 Open Access
Notes Approved Most recent IF: 2.588; 2006 IF: 2.077
Call Number UA @ lucian @ c:irua:57254 Serial 634
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Author Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A.
Title The effect of hydrogen on the electronic and bonding properties of amorphous carbon Type A1 Journal article
Year (up) 2006 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 18 Issue 48 Pages 10803-10815
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000242650600008 Publication Date 2006-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 13 Open Access
Notes Approved Most recent IF: 2.649; 2006 IF: 2.038
Call Number UA @ lucian @ c:irua:60468 Serial 816
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals Type A1 Journal article
Year (up) 2006 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 88 Issue Pages 141922
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000236612000037 Publication Date 2006-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 35 Open Access
Notes Approved Most recent IF: 3.411; 2006 IF: 3.977
Call Number UA @ lucian @ c:irua:57642 Serial 817
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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 (up) 2006 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 8 Issue 17 Pages 2066-2071
Keywords 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
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Author Liu, Y.H.; Neyts, E.; Bogaerts, A.
Title Monte Carlo method for simulations of adsorbed atom diffusion on a surface Type A1 Journal article
Year (up) 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
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Author Neyts, E.; Tacq, M.; Bogaerts, A.
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 (up) 2006 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
Volume 15 Issue 10 Pages 1663-1676
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 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 Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces Type A1 Journal article
Year (up) 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 99 Issue 1 Pages 014902,1-8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000234607200071 Publication Date 2006-01-23
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 25 Open Access
Notes Approved Most recent IF: 2.068; 2006 IF: 2.316
Call Number UA @ lucian @ c:irua:55831 Serial 3815
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Author Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S.
Title Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films Type A1 Journal article
Year (up) 2007 Publication Surface and coatings technology Abbreviated Journal Surf Coat Tech
Volume 201 Issue 22/23 Pages 8838-8841
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000249340400008 Publication Date 2007-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0257-8972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.589 Times cited 5 Open Access
Notes Approved Most recent IF: 2.589; 2007 IF: 1.678
Call Number UA @ lucian @ c:irua:64790 Serial 1859
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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 (up) 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
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals Type A1 Journal article
Year (up) 2007 Publication Journal of physics : conference series Abbreviated Journal
Volume 86 Issue Pages 12020-12020,15
Keywords 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 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 (up) 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 Eckert, M.; Neyts, E.; Bogaerts, A.
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 (up) 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 41 Issue Pages 032006,1-3
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 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
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Author Baguer, N.; Neyts, E.; van Gils, S.; Bogaerts, A.
Title Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations Type A1 Journal article
Year (up) 2008 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos
Volume 14 Issue 11/12 Pages 339-346
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper presents the computational study of the metal-organic (MO) CVD of titanium dioxide (TiO2) films grown using titanium tetraisopropoxide (TTIP) as a precursor and nitrogen as a carrier gas. The TiO2 films are deposited under atmospheric pressure. The effects of the precursor concentration, the substrate temperature, and the hydrolysis reaction on the deposition process are investigated. It is found that hydrolysis of the TTIP decreases the onset temperature of the gas-phase thermal decomposition, and that the deposition rate increases with the precursor concentration and with the decrease of substrate temperature. Concerning the mechanism responsible for the film growth, the model shows that at the lowest precursor concentration, the direct adsorption of the precursor is dominant, while at higher precursor concentrations, the monomer deposition becomes more important.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000262215800003 Publication Date 2008-12-18
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 14 Open Access
Notes Approved Most recent IF: 1.333; 2008 IF: 1.483
Call Number UA @ lucian @ c:irua:71905 Serial 3325
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Author Mortet, V.; Zhang, L.; Echert, M.; Soltani, A.; d' Haen, J.; Douheret, O.; Moreau, M.; Osswald, S.; Neyts, E.; Troadec, D.; Wagner, P.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.
Title Characterization of nano-crystalline diamond films grown under continuous DC bias during plasma enhanced chemical vapor deposition Type A3 Journal article
Year (up) 2009 Publication Materials Research Society symposium proceedings Abbreviated Journal
Volume Issue 1203 Pages
Keywords A3 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Nanocrystalline diamond films have generated much interested due to their diamond-like properties and low surface roughness. Several techniques have been used to obtain a high re-nucleation rate, such as hydrogen poor or high methane concentration plasmas. In this work, the properties of nano-diamond films grown on silicon substrates using a continuous DC bias voltage during the complete duration of growth are studied. Subsequently, the layers were characterised by several morphological, structural and optical techniques. Besides a thorough investigation of the surface structure, using SEM and AFM, special attention was paid to the bulk structure of the films. The application of FTIR, XRD, multi wavelength Raman spectroscopy, TEM and EELS yielded a detailed insight in important properties such as the amount of crystallinity, the hydrogen content and grain size. Although these films are smooth, they are under a considerable compressive stress. FTIR spectroscopy points to a high hydrogen content in the films, while Raman and EELS indicate a high concentration of sp2 carbon. TEM and EELS show that these films consist of diamond nano-grains mixed with an amorphous sp2 bonded carbon, these results are consistent with the XRD and UV Raman spectroscopy data.
Address
Corporate Author Thesis
Publisher Place of Publication Wuhan Editor
Language Wos Publication Date 2010-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1946-4274; ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:81646 Serial 327
Permanent link to this record
 

 
Author Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L.
Title Computer modeling of plasmas and plasma-surface interactions Type A1 Journal article
Year (up) 2009 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 6 Issue 5 Pages 295-307
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000266471800003 Publication Date 2009-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850;1612-8869; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 18 Open Access
Notes Approved Most recent IF: 2.846; 2009 IF: 4.037
Call Number UA @ lucian @ c:irua:76833 Serial 461
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Author Neyts, E.C.; Bogaerts, A.
Title Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation Type A1 Journal article
Year (up) 2009 Publication Carbon Abbreviated Journal Carbon
Volume 47 Issue 4 Pages 1028-1033
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The interaction of thermal and hyperthermal Ni ions with gas-phase C60 fullerene was investigated at two temperatures with classical molecular dynamics simulations using a recently developed interatomic many-body potential. The interaction between Ni and C60 is characterized in terms of the NiC60 binding sites, complex formation, and the collision and temperature induced deformation of the C60 cage structure. The simulations show how ion implantation theoretically allows the synthesis of both endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000264252900012 Publication Date 2008-12-25
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 15 Open Access
Notes Approved Most recent IF: 6.337; 2009 IF: 4.504
Call Number UA @ lucian @ c:irua:76434 Serial 1260
Permanent link to this record
 

 
Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm Type A1 Journal article
Year (up) 2009 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 11 Issue 8 Pages 1597-1608
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000268184300021 Publication Date 2009-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.474 Times cited 15 Open Access
Notes Approved Most recent IF: 3.474; 2009 IF: 4.183
Call Number UA @ lucian @ c:irua:77374 Serial 2106
Permanent link to this record
 

 
Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Modeling PECVD growth of nanostructured carbon materials Type A1 Journal article
Year (up) 2009 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
Volume 13 Issue 3/4 Pages 399-412
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000274202300012 Publication Date 2010-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:80991 Serial 2138
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Author Neyts, E.; Eckert, M.; Mao, M.; Bogaerts, A.
Title Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films Type A1 Journal article
Year (up) 2009 Publication Plasma physics and controlled fusion Abbreviated Journal Plasma Phys Contr F
Volume 51 Issue Pages 124034,1-124034,8
Keywords 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
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Author Neyts, E.C.; Bogaerts, A.
Title Numerical study of the size-dependent melting mechanisms of nickel nanoclusters Type A1 Journal article
Year (up) 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 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
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Author Neyts, E.; Shibuta, Y.; Bogaerts, A.
Title Bond switching regimes in nickel and nickel-carbon nanoclusters Type A1 Journal article
Year (up) 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 488 Issue 4/6 Pages 202-205
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000275751900020 Publication Date 2010-02-15
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 20 Open Access
Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
Call Number UA @ lucian @ c:irua:80998 Serial 248
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Author Neyts, E.C.; Shibuta, Y.; van Duin, A.C.T.; Bogaerts, A.
Title Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations Type A1 Journal article
Year (up) 2010 Publication ACS nano Abbreviated Journal Acs Nano
Volume 4 Issue 11 Pages 6665-6672
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Metal-catalyzed growth mechanisms of carbon nanotubes (CNTs) were studied by hybrid molecular dynamics−Monte Carlo simulations using a recently developed ReaxFF reactive force field. Using this novel approach, including relaxation effects, a CNT with definable chirality is obtained, and a step-by-step atomistic description of the nucleation process is presented. Both root and tip growth mechanisms are observed. The importance of the relaxation of the network is highlighted by the observed healing of defects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000284438000043 Publication Date 2010-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 129 Open Access
Notes Approved Most recent IF: 13.942; 2010 IF: 9.865
Call Number UA @ lucian @ c:irua:84759 Serial 294
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges Type A1 Journal article
Year (up) 2010 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
Volume 10 Issue 9 Pages 4123-4134
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics−Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x ≥ 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281353900042 Publication Date 2010-08-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.055 Times cited 11 Open Access
Notes Approved Most recent IF: 4.055; 2010 IF: 4.390
Call Number UA @ lucian @ c:irua:83696 Serial 694
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