|
Records |
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
2005 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
Nucl Instrum Meth B |
|
Volume |
228 |
Issue |
|
Pages |
315-318 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000226669800052 |
Publication Date |
2004-12-06 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0168-583X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.109 |
Times cited |
19 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.109; 2005 IF: 1.181 |
|
Call Number |
UA @ lucian @ c:irua:49873 |
Serial |
2172 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
|
Title |
Modeling PECVD growth of nanostructured carbon materials |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
High temperature material processes |
Abbreviated Journal |
High Temp Mater P-Us |
|
Volume |
13 |
Issue |
3/4 |
Pages |
399-412 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000274202300012 |
Publication Date |
2010-02-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1093-3611; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:80991 |
Serial |
2138 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. |
|
Title |
A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
Volume |
49 |
Issue |
3 |
Pages |
1013-1017 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
Language |
|
Wos |
000286683500032 |
Publication Date |
2010-11-14 |
|
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 |
13 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
|
Call Number |
UA @ lucian @ c:irua:85139 |
Serial |
639 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.; Mao, M.; Eckert, M.; Bogaerts, A. |
|
Title |
Modeling aspects of plasma-enhanced chemical vapor deposition of carbon-based materials |
Type |
H1 Book chapter |
|
Year |
2012 |
Publication |
|
Abbreviated Journal |
|
|
Volume |
|
Issue |
|
Pages |
245-290 |
|
Keywords |
H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
CRC Press |
Place of Publication |
Boca Raton, Fla |
Editor |
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
|
ISBN |
978-1-4398-6676-4 |
Additional Links |
UA library record |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:107843 |
Serial |
2109 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.; Shibuta, Y.; Bogaerts, A. |
|
Title |
Bond switching regimes in nickel and nickel-carbon nanoclusters |
Type |
A1 Journal article |
|
Year |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C. |
|
Title |
PECVD growth of carbon nanotubes : from experiment to simulation |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of vacuum science and technology: B: micro-electronics processing and phenomena |
Abbreviated Journal |
|
|
Volume |
30 |
Issue |
3 |
Pages |
030803-030803,17 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Nanostructured carbon materials show a tremendous variety in atomic structure, morphology, properties, and applications. As all properties are ultimately determined by the structure of the material, a thorough understanding of the growth mechanisms that give rise to the particular structure is critical. On many occasions, it has been shown that plasma enhanced growth can be strongly beneficial. This review will describe the authors current understanding of plasma enhanced growth of carbon nanotubes, the prototypical example of nanostructured carbon materials, as obtained from experiments, simulations, and modeling. Specific emphasis is put on where experiments and computational approaches correspond, and where they differ. Also, the current status on simulating PECVD growth of some other carbon nanomaterials is reviewed, including amorphous carbon, graphene, and metallofullerenes. Finally, computational challenges with respect to the simulation of PECVD growth are identified. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
000305042000010 |
Publication Date |
2012-04-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2166-2746; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
42 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:97166 |
Serial |
2570 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C. |
|
Title |
Plasma-Surface Interactions in Plasma Catalysis |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Plasma chemistry and plasma processing |
Abbreviated Journal |
Plasma Chem Plasma P |
|
Volume |
36 |
Issue |
36 |
Pages |
185-212 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
In this paper the various elementary plasma—surface interaction processes occurring in plasma catalysis are critically evaluated. Specifically, plasma catalysis at atmospheric pressure is considered. The importance of the various processes is analyzed for the most common plasma catalysis sources, viz. the dielectric barrier discharge and the gliding arc. The role and importance of surface chemical reactions (including adsorption, surface-mediated association and dissociation reactions, and desorption), plasma-induced surface modification, photocatalyst activation, heating, charging, surface discharge formation and electric field enhancement are discussed in the context of plasma catalysis. Numerous examples are provided to demonstrate the importance of the various processes. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000370720800011 |
Publication Date |
2015-10-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0272-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.355 |
Times cited |
66 |
Open Access |
|
|
Notes |
The author is indebted to many colleagues for fruitful discussions. In particular discussions with A. Bogaerts (University of Antwerp, Belgium), H.-H. Kim (AIST, Japan), J. C. Whitehead (University of Manchester, UK) and T. Nozaki (Tokyo Institute of Technology, Japan) are greatfully acknowledged and appreciated. |
Approved |
Most recent IF: 2.355 |
|
Call Number |
c:irua:130742 |
Serial |
4004 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C. |
|
Title |
The role of ions in plasma catalytic carbon nanotube growth : a review |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
|
Volume |
9 |
Issue |
9 |
Pages |
154-162 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
While it is well-known that the plasma-enhanced catalytic chemical vapor deposition (PECVD) of carbon nanotubes (CNTs) offers a number of advantages over thermal CVD, the influence of the various individual contributing factors is not well understood. Especially the role of ions is unclear, since ions in plasmas are generally associated with sputtering rather than with growing a material. Even so, various studies have demonstrated the beneficial effects of ion bombardment during the growth of CNTs. This review looks at the role of the ions in plasma-enhanced CNT growth as deduced from both experimental and simulation studies. Specific attention is paid to the beneficial effects of ion bombardment. Based on the available literature, it can be concluded that ions can be either beneficial or detrimental for carbon nanotube growth, depending on the exact conditions and the control over the growth process. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000360319600003 |
Publication Date |
2015-06-11 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.712 |
Times cited |
8 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.712; 2015 IF: NA |
|
Call Number |
UA @ lucian @ c:irua:127815 |
Serial |
4239 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C. |
|
Title |
Atomistic simulations of plasma catalytic processes |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
|
Volume |
12 |
Issue |
1 |
Pages |
145-154 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000425156500017 |
Publication Date |
2017-09-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.712 |
Times cited |
5 |
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 1.712 |
|
Call Number |
UA @ lucian @ c:irua:149233 |
Serial |
4927 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C. |
|
Title |
Special Issue on future directions in plasma nanoscience |
Type |
Editorial |
|
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
|
Volume |
13 |
Issue |
2 |
Pages |
199-200 |
|
Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000468848400001 |
Publication Date |
2019-05-14 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.712 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 1.712 |
|
Call Number |
UA @ admin @ c:irua:160277 |
Serial |
5280 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Bal, K.M. |
|
Title |
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
|
Volume |
14 |
Issue |
6 |
Pages |
e1600158 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
|
Language |
|
Wos |
000403699900013 |
Publication Date |
2016-11-08 |
|
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 |
2 |
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 2.846 |
|
Call Number |
UA @ lucian @ c:irua:144210 |
Serial |
4647 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Bogaerts, A. |
|
Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
|
Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000318294700010 |
Publication Date |
2012-12-19 |
|
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 |
27 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
|
Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Bogaerts, A. |
|
Title |
Ion irradiation for improved graphene network formation in carbon nanotube growth |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
Volume |
77 |
Issue |
|
Pages |
790-795 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
Language |
|
Wos |
000340689400083 |
Publication Date |
2014-06-11 |
|
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 |
7 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
|
Call Number |
UA @ lucian @ c:irua:118062 |
Serial |
1745 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Bogaerts, A. |
|
Title |
Modeling the growth of SWNTs and graphene on the atomic scale |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
ECS transactions |
Abbreviated Journal |
|
|
Volume |
45 |
Issue |
4 |
Pages |
73-78 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The possibility of application of nanomaterials is determined by our ability to control the properties of the materials, which are ultimately determined by their structure and hence their growth processes. We employ hybrid molecular dynamics / Monte Carlo (MD/MC) simulations to explore the growth of SWNTs and graphene on nickel as a catalyst, with the specific goal of unraveling the growth mechanisms. While the general observations are in agreement with the literature, we find a number of interesting phenomena to be operative which are crucial for the growth, and which are not accessible by MD simulations alone due to the associated time scale. Specifically, we observe metal mediated healing and restructuring processes to take place, reorganizing the carbon network during the initial nucleation step. In the case of carbon nanotube growth, this leads to the growth of tubes with a determinable chirality. In the case of graphene formation, we find that graphene is only formed at temperatures above 700 K. These results are of importance for understanding the growth mechanisms of these carbon nanomaterials on the fundamental level. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Electrochemical Society |
Place of Publication |
Pennington |
Editor |
|
|
Language |
|
Wos |
000316890000008 |
Publication Date |
2012-04-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1938-6737;1938-5862; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:108535 |
Serial |
2144 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Bogaerts, A. |
|
Title |
Understanding plasma catalysis through modelling and simulation : a review |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
Volume |
47 |
Issue |
22 |
Pages |
224010 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
|
|
Language |
|
Wos |
000336207900011 |
Publication Date |
2014-05-14 |
|
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 |
130 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
|
Call Number |
UA @ lucian @ c:irua:116920 |
Serial |
3803 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Brault, P. |
|
Title |
Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations… |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
|
Volume |
14 |
Issue |
14 |
Pages |
1600145 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Plasma-surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial-style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low-temperature nonthermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird’s eye overview of the current state of the field. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000393184600009 |
Publication Date |
2016-09-07 |
|
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 |
13 |
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 2.846 |
|
Call Number |
PLASMANT @ plasmant @ c:irua:141758 |
Serial |
4488 |
Permanent link to this record |
|
|
|
|
Author ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
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 |
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 ![sorted by Author field, ascending order (up)](img/sort_asc.gif) |
Neyts, E.C.; Ostrikov, K.(K.) |
|
Title |
Nanoscale thermodynamic aspects of plasma catalysis |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
|
Volume |
256 |
Issue |
256 |
Pages |
23-28 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000360085300004 |
Publication Date |
2015-03-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0920-5861; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.636 |
Times cited |
14 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.636; 2015 IF: 3.893 |
|
Call Number |
c:irua:127409 |
Serial |
2274 |
Permanent link to this record |