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Records |
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Author |
Neyts, E.C.; Bogaerts, A. |
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Title |
Ion irradiation for improved graphene network formation in carbon nanotube growth |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
77 |
Issue |
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Pages |
790-795 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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. |
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Place of Publication |
Oxford |
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Language |
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Wos |
000340689400083 |
Publication Date |
2014-06-11 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
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Call Number |
UA @ lucian @ c:irua:118062 |
Serial |
1745 |
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Permanent link to this record |
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Author |
Goossens, D.; Van 't dack, L.; Gijbels, R. |
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Title |
Ion microprobe analysis of rock-forming minerals from the Carnmenellis granite |
Type |
P3 Proceeding |
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Year |
1989 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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S.l. |
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Publication Date |
0000-00-00 |
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Series Issue |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:111514 |
Serial |
1746 |
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Permanent link to this record |
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Author |
de Witte, H.; Conard, T.; Vandervorst, W.; Gijbels, R. |
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Title |
Ion-bombardment artifact in TOF-SIMS analysis of ZrO2/SiO2/Si stacks |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
203 |
Issue |
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Pages |
523-526 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We analyzed ultra-thin ZrO2/SiO2/Si gate dielectrics under post-deposition anneals in dry O-2 at temperatures from 500 to 700 degreesC. TOF-SIMS profiling of ZrO2/SiO2/Si stacks is hampered by many sputter induced artifacts. The depletion of oxygen leads to a decrease in SIMS intensities. However, preferential sputtering is accompanied by transport of the depleted species towards the surface. Due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. Either normal or radiation-enhanced diffusion transports oxygen back to the surface. Simultaneously also segregation of zirconium towards and through the interface is observed, resulting in a large zirconium tail in the underlying silicon substrate. (C) 2002 Elsevier Science B.V. All rights reserved. |
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Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000180527300119 |
Publication Date |
2002-12-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.387; 2003 IF: 1.284 |
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Call Number |
UA @ lucian @ c:irua:51975 |
Serial |
1743 |
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Permanent link to this record |
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Author |
Migoun, A.; Cenian, A.; Chernukho, A.; Bogaerts, A.; Gijbels, R.; Leys, C. |
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Title |
Ionization density in hydrocarbon flames: numerical modelling |
Type |
P3 Proceeding |
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Year |
2004 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
130-133 |
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Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Place of Publication |
S.l. |
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Wos |
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Publication Date |
0000-00-00 |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:82306 |
Serial |
1747 |
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Permanent link to this record |
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Author |
de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Ionized water confined in graphene nanochannels |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
21 |
Issue |
18 |
Pages |
9285-9295 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
When confined between graphene layers, water behaves differently from the bulk and exhibits unusual properties such as fast water flow and ordering into a crystal. The hydrogen-bonded network is affected by the limited space and by the characteristics of the confining walls. The presence of an extraordinary number of hydronium and hydroxide ions in narrow channels has the following effects: (i) they affect water permeation through the channel, (ii) they may interact with functional groups on the graphene oxide surface and on the edges, and (iii) they change the thermochemistry of water, which are fundamentally important to understand, especially when confined water is subjected to an external electric field. Here we study the physical properties of water when confined between two graphene sheets and containing hydronium and hydroxide. We found that: (i) there is a disruption in the solvation structure of the ions, which is also affected by the layered structure of confined water, (ii) hydronium and hydroxide occupy specific regions inside the nanochannel, with a prevalence of hydronium (hydroxide) ions at the edges (interior), and (iii) ions recombine more slowly in confined systems than in bulk water, with the recombination process depending on the channel height and commensurability between the size of the molecules and the nanochannel height – a decay of 20% (40%) in the number of ions in 8 ps is observed for a channel height of h = 7 angstrom (bulk water). Our work reveals distinctive properties of water confined in a nanocapillary in the presence of additional hydronium and hydroxide ions. |
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Place of Publication |
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Language |
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Wos |
000472922500028 |
Publication Date |
2019-03-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
9 |
Open Access |
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Notes |
; This work was supported by the Fund for Scientific Research Flanders (FWO-Vl) and the Methusalem programe. ; |
Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:161377 |
Serial |
5419 |
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Permanent link to this record |
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Author |
Loenders, B.; Michiels, R.; Bogaerts, A. |
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Title |
Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Journal of Energy Chemistry |
Abbreviated Journal |
Journal of Energy Chemistry |
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Volume |
85 |
Issue |
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Pages |
501-533 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Plasma-catalytic dry reforming of CH4 (DRM) is promising to convert the greenhouse gasses CH4 and CO2 into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products, because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex, as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, highlighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems. Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures, at which vibrational excitation can enhance the surface reactions. |
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Corporate Author |
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Wos |
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Publication Date |
2023-06-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-4956 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
13.1 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
This research was supported by the FWO-SBO project PlasMa- CatDESIGN (FWO grant ID S001619N), the FWO fellowship of R. Michiels (FWO grant ID 1114921N), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. |
Approved |
Most recent IF: 13.1; 2023 IF: 2.594 |
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Call Number |
PLASMANT @ plasmant @c:irua:198159 |
Serial |
8806 |
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Permanent link to this record |
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Author |
Clima, S.; Belmonte, A.; Degraeve, R.; Fantini, A.; Goux, L.; Govoreanu, B.; Jurczak, M.; Ota, K.; Redolfi, A.; Kar, G.S.; Pourtois, G. |
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Title |
Kinetic and thermodynamic heterogeneity : an intrinsic source of variability in Cu-based RRAM memories |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
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Volume |
16 |
Issue |
4 |
Pages |
1011-1016 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('The resistive random-access memory (RRAM) device concept is close to enabling the development of a new generation of non-volatile memories, provided that their reliability issues are properly understood. The design of a RRAM operating with extrinsic defects based on metallic inclusions, also called conductive bridge RAM, allows the use of a large spectrum of solid electrolytes. However, when scaled to device dimensions that meet the requirements of the latest technological nodes, the discrete nature of the atomic structure of the materials impacts the device operation. Using density functional theory simulations, we evaluated the migration kinetics of Cu conducting species in amorphous and solid electrolyte materials, and established that atomic disorder leads to a large variability in terms of defect stability and kinetic barriers. This variability has a significant impact on the filament resistance and its dynamics, as evidenced during the formation step of the resistive filament. Also, the atomic configuration of the formed filament can age/relax to another metastable atomic configuration, and lead to a modulation of the resistivity of the filament. All these observations are qualitatively explained on the basis of the computed statistical distributions of the defect stability and on the kinetic barriers encountered in RRAM materials.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Place of publication unknown |
Editor |
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Language |
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Wos |
000417598100004 |
Publication Date |
2017-08-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1569-8025 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.526 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 1.526 |
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Call Number |
UA @ lucian @ c:irua:148569 |
Serial |
4883 |
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Permanent link to this record |
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Author |
Yan, M.; Bogaerts, A.; Gijbels, R. |
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Title |
Kinetic modeling of relaxation phenomena after photodetachment in a rf electronegative SiH4 discharge |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
63 |
Issue |
2Part 2 |
Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The global relaxation process after pulsed laser induced photodetachment in a rf electronegative SIH4 discharge is studied by a self-consistent kinetic one-dimensional particle-in-cell-Monte Carlo model. Our results reveal a comprehensive physical picture of the relaxation process, including the main plasma variables, after a perturbation up to the full recovery of the steady state. A strong influence of the photodetachment on the discharge is found, which results from an increase of the electron density, leading to a weaker bulk field, and hence to a drop in the high energy tail of the electron energy distribution function (EEDF), a reduction of the reaction rates of electron impact attachment and ionization, and a subsequent decrease of the positive and negative ion densities. All the plasma quantities related to electrons recover synchronously. The recovery time of the ion densities is about 1-2 orders of magnitude longer than that of the electrons due to different recovery mechanisms. The modeled behavior of all the charged particles agrees very well with experimental results from the literature. In addition, our work clarifies some unclear processes assumed in the literature, such as the relaxation of the EEDF, the evolution of the electric field, and the recovery of negative ions. |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000167022500057 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1063-651X;1095-3787; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2001 IF: 2.235 |
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Call Number |
UA @ lucian @ c:irua:34148 |
Serial |
1757 |
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Permanent link to this record |
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Author |
Van Gaens, W.; Bogaerts, A. |
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Title |
Kinetic modelling for an atmospheric pressure argon plasma jet in humid air |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
46 |
Issue |
27 |
Pages |
275201-275253 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A zero-dimensional, semi-empirical model is used to describe the plasma chemistry in an argon plasma jet flowing into humid air, mimicking the experimental conditions of a setup from the Eindhoven University of Technology. The model provides species density profiles as a function of the position in the plasma jet device and effluent. A reaction chemistry set for an argon/humid air mixture is developed, which considers 84 different species and 1880 reactions. Additionally, we present a reduced chemistry set, useful for higher level computational models. Calculated species density profiles along the plasma jet are shown and the chemical pathways are explained in detail. It is demonstrated that chemically reactive H, N, O and OH radicals are formed in large quantities after the nozzle exit and H2, O2(1Δg), O3, H2O2, NO2, N2O, HNO2 and HNO3 are predominantly formed as 'long living' species. The simulations show that water clustering of positive ions is very important under these conditions. The influence of vibrational excitation on the calculated electron temperature is studied. Finally, the effect of varying gas temperature, flow speed, power density and air humidity on the chemistry is investigated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000320854700009 |
Publication Date |
2013-06-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
115 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
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Call Number |
UA @ lucian @ c:irua:108725 |
Serial |
1758 |
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Permanent link to this record |
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Author |
Zhang, Y.; Jiang, W.; Bogaerts, A. |
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Title |
Kinetic simulation of direct-current driven microdischarges in argon at atmospheric pressure |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
43 |
Pages |
435201 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A one-dimensional, implicit particle-in-cell Monte Carlo collision model is used to simulate the plasma kinetic properties at a steady state in a parallel-plate direct current argon glow microdischarge under various operating conditions, such as driving voltage (301000 V) and gap size (101000 µm) at atmospheric pressure. First, a comparison between rf and dc modes is shown for the same pressure, driving voltage and gap spacing. Furthermore, the effect of gap size scaling (in the range of 101000 µm) on the breakdown voltage, peak electron density and peak electron current density at the breakdown voltage is examined. The breakdown voltage is lower than 150 V in all gaps considered. The microdischarge is found to have a neutral bulk plasma region and a cathode sheath region with size varying with the applied voltage and the discharge gap. In our calculations, the electron and ion densities are of the order of 10181023 m−3, which is in the glow discharge limit, as the ionization degree is lower than 1% . The electron energy distribution function shows a two-energy group distribution at a gap of 10 µm and a three-energy group distribution at larger gaps such as 200 µm and 1000 µm, emphasizing the importance of the gap spacing in dc microdischarges. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000343150500011 |
Publication Date |
2014-10-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:119152 |
Serial |
1759 |
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Permanent link to this record |
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Author |
Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T. |
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Title |
Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
119 |
Issue |
119 |
Pages |
11903-11908 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A method has been developed for damage-free cesium (Cs) encapsulation within single-walled carbon nanotubes (SWNTs) with fine position selectivity. Precise energy tuning of Cs-ion irradiation revealed that there is a clear energy window (2060 eV) for the efficient encapsulation of Cs through the hexagonal network of SWNT sidewalls without causing significant damage. This minimum energy threshold of Cs-ion encapsulation (∼20 eV) matches well with the value obtained by ab initio simulation (∼22 eV). Furthermore, position-selective Cs encapsulation was carried out, resulting in the successful formation of pn-junction SWNT thin films with excellent environmental stability. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000355495600072 |
Publication Date |
2015-05-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
4.536 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
|
|
Call Number |
c:irua:125928 |
Serial |
1760 |
|
Permanent link to this record |
|
|
|
|
Author |
Vandelannoote, R.; Blommaert, W.; van Grieken, R.; Gijbels, R. |
|
|
Title |
L'analyse des eaux géothermales par spectrométrie de masse à étincelles |
Type |
A3 Journal article |
|
Year |
1979 |
Publication |
Spectra 2000: la revue de l'instrumentation |
Abbreviated Journal |
|
|
|
Volume |
53 |
Issue |
|
Pages |
66 |
|
|
Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Paris |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0399-1172 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:116645 |
Serial |
98 |
|
Permanent link to this record |
|
|
|
|
Author |
Cenian, A.; Chernukho, A.; Bogaerts, A.; Gijbels, R.; Leys, C. |
|
|
Title |
Langmuir probe diagnostic of high pressure plasmas: study by PIC-MC modelling |
Type |
P3 Proceeding |
|
Year |
2004 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
61-64 |
|
|
Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
S.l. |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:82305 |
Serial |
1776 |
|
Permanent link to this record |
|
|
|
|
Author |
Bogaerts, A.; Chen, Z.; Gijbels, R.; Vertes, A. |
|
|
Title |
Laser ablation for analytical sampling: what can we learn from modeling? |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
|
|
Volume |
58 |
Issue |
|
Pages |
1867-1893 |
|
|
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 |
000187237900001 |
Publication Date |
2003-11-21 |
|
|
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 |
321 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.241; 2003 IF: 2.361 |
|
|
Call Number |
UA @ lucian @ c:irua:44023 |
Serial |
1783 |
|
Permanent link to this record |
|
|
|
|
Author |
Bogaerts, A.; Chen, Z.; Bleiner, D. |
|
|
Title |
Laser ablation of copper in different background gases: comparative study by numerical modeling and experiments |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
|
|
Volume |
21 |
Issue |
|
Pages |
384-395 |
|
|
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 |
000236391400002 |
Publication Date |
2006-02-17 |
|
|
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 |
67 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.379; 2006 IF: 3.630 |
|
|
Call Number |
UA @ lucian @ c:irua:56972 |
Serial |
1784 |
|
Permanent link to this record |
|
|
|
|
Author |
Chen, Z.; Bogaerts, A. |
|
|
Title |
Laser ablation of Cu and plume expansion into 1 atm ambient gas |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
97 |
Issue |
|
Pages |
063305,1-12 |
|
|
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 |
000227767700009 |
Publication Date |
2005-03-11 |
|
|
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 |
131 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.068; 2005 IF: 2.498 |
|
|
Call Number |
UA @ lucian @ c:irua:51609 |
Serial |
1785 |
|
Permanent link to this record |
|
|
|
|
Author |
Vertes, A.; Gijbels, R.; Adams, F. |
|
|
Title |
Laser ionization mass analysis |
Type |
ME1 Book as editor or co-editor |
|
Year |
1993 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
ME1 Book as editor or co-editor; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Wiley |
Place of Publication |
New York |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
0-471-53673-3 |
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # |
|
|
Call Number |
UA @ lucian @ c:irua:6121 |
Serial |
1789 |
|
Permanent link to this record |
|
|
|
|
Author |
van Vaeck, L.; van Roy, W.; Gijbels, R. |
|
|
Title |
Laser ionization mass spectrometry for the characterization of solid materials |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Analusis : chimie analytique, méthodes physiques d'analyse, composition de la matière |
Abbreviated Journal |
|
|
|
Volume |
21 |
Issue |
|
Pages |
53-75 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Paris |
Editor |
|
|
|
Language |
|
Wos |
A1993KQ28400013 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0365-4877 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
10 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:6170 |
Serial |
1790 |
|
Permanent link to this record |
|
|
|
|
Author |
van Vaeck, L.; Vanroy, W.; Gijbels, R. |
|
|
Title |
Laser ionization mass-spectrometry for the characterization of solid materials |
Type |
A1 Journal article |
|
Year |
1992 |
Publication |
Analusis : chimie analytique, méthodes physiques d'analyse, composition de la matière |
Abbreviated Journal |
|
|
|
Volume |
20 |
Issue |
7 |
Pages |
S29-S31 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Paris |
Editor |
|
|
|
Language |
|
Wos |
A1992JN30700030 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0365-4877 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:104498 |
Serial |
1791 |
|
Permanent link to this record |
|
|
|
|
Author |
Struyf, H.; van Roy, W.; van Vaeck, L.; Gijbels, R.; Caravatti, P. |
|
|
Title |
Laser microprobe Fourier transform mass spectrometer with external ion source for organic and inorganic microanalysis |
Type |
H3 Book chapter |
|
Year |
1993 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
595-596 |
|
|
Keywords |
H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
San Francisco Press |
Place of Publication |
San Francisco, Calif. |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:6272 |
Serial |
1792 |
|
Permanent link to this record |
|
|
|
|
Author |
Struyf, H.; van Roy, W.; van Vaeck, L.; van Grieken, R.; Gijbels, R.; Caravatti, P. |
|
|
Title |
Laser microprobe Fourier transform mass spectrometer with external ion source for organic and inorganic microanalysis |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
Anal Chim Acta |
|
|
Volume |
283 |
Issue |
|
Pages |
139-151 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
A1993MK02800013 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-2670; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.513 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:6141 |
Serial |
1793 |
|
Permanent link to this record |
|
|
|
|
Author |
Eeckhaoudt, S.; van Vaeck, L.; Gijbels, R.; van Grieken, R.E. |
|
|
Title |
Laser microprobe mass spectrometry in biology and biomedicine |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Scanning microscopy |
Abbreviated Journal |
|
|
|
Volume |
S8 |
Issue |
|
Pages |
335-358 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Chicago, Ill. |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0891-7035 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:9531 |
Serial |
1794 |
|
Permanent link to this record |
|
|
|
|
Author |
Claereboudt, J.; Claeys, M.; Geise, H.; Gijbels, R.; Vertes, A. |
|
|
Title |
Laser microprobe mass spectrometry of quaternary phosphonium salts: direct versus matrix-assisted laser desorption |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Journal of the American Society for Mass Spectrometry |
Abbreviated Journal |
J Am Soc Mass Spectr |
|
|
Volume |
4 |
Issue |
|
Pages |
798-819 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
A1993LZ48800007 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1044-0305;1879-1123; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.945 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:5424 |
Serial |
1796 |
|
Permanent link to this record |
|
|
|
|
Author |
van Vaeck, L.; van Roy, W.; Struyf, H.; Poels, K.; Gijbels, R. |
|
|
Title |
Laser microprobe mass spectrometry: local surface analysis of organic and inorganic compounds |
Type |
H3 Book chapter |
|
Year |
1997 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
354-368 |
|
|
Keywords |
H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Vch |
Place of Publication |
Weinheim |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:19343 |
Serial |
1795 |
|
Permanent link to this record |
|
|
|
|
Author |
van Vaeck, L.; Poels, K.; de Nollin, S.; Hachimi, A.; Gijbels, R. |
|
|
Title |
Laser microprobe mass spectrometry: principle and applications in biology and medicine |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Cell biology international |
Abbreviated Journal |
Cell Biol Int |
|
|
Volume |
21 |
Issue |
|
Pages |
635-648 |
|
|
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 |
000074882700003 |
Publication Date |
2002-10-06 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1065-6995; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.831 |
Times cited |
6 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.831; 1997 IF: 1.124 |
|
|
Call Number |
UA @ lucian @ c:irua:20464 |
Serial |
1797 |
|
Permanent link to this record |
|
|
|
|
Author |
Vanraes, P.; Bogaerts, A. |
|
|
Title |
Laser-induced excitation mechanisms and phase transitions in spectrochemical analysis – Review of the fundamentals |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Spectrochimica Acta Part B-Atomic Spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
|
|
Volume |
179 |
Issue |
|
Pages |
106091 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Nowadays, lasers are commonly applied in spectrochemical analysis methods, for sampling, plasma formation or a combination of both. Despite the numerous investigations that have been performed on these applications, the underlying processes are still insufficiently understood. In order to fasten progress in the field and in honor of the lifework of professor Rick Russo, we here provide a brief overview of the fundamental mechanisms in lasermatter interaction as proposed in literature, and throw the spotlight on some aspects that have not received much attention yet. For an organized discussion, we choose laser ablation, laser desorption and the associated gaseous plasma formation as the central processes in this perspective article, based on a classification of the laserbased spectrochemical analysis techniques and the corresponding laser-matter interaction regimes. First, we put the looking glass over the excitation and thermalization mechanisms in the laser-irradiated condensed phase, for which we propose the so-called multi-plasma model. This novel model can be understood as an extension of the well-known two-temperature model, featuring multiple thermodynamic dimensions, each of which corresponds to a quasi-particle type. Next, the focus is placed on the mass transfer and ionization mechanisms, after which we shortly highlight the possible role of anisotropic and magnetic effects in the laser-excited material. We hope this perspective article motivates more fundamental research on laser-matter interaction, as a continuation of the lifework of Rick Russo. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000631868700005 |
Publication Date |
2021-03-23 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0584-8547 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.241 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
University of Antwerp; We acknowledge funding by a University of Antwerp BOF grant and by a University of Antwerp Methusalem grant. |
Approved |
Most recent IF: 3.241 |
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Call Number |
PLASMANT @ plasmant @c:irua:176876 |
Serial |
6710 |
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Permanent link to this record |
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Author |
Bleiner, D.; Bogaerts, A.; Belloni, F.; Nassisi, V. |
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Title |
Laser-induced plasmas from the ablation of metallic targets: the problem of the onset temperature, and insights on the expansion dynamics |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
101 |
Issue |
8 |
Pages |
083301,1-5 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Laser-induced plasmas are transient systems rapidly aging in few nanoseconds of evolution. Time-of-flight spectrometry allowed studying initial plasma characteristics based on frozen translational degrees of freedom, hence overcoming intrinsic limitations of optical spectroscopy. Experimental ion velocity distributions were reconstructed as developed during the longitudinal plasma expansion. The obtained onset plasma temperatures are in the range of similar to 18-45 eV depending on the ablated metals. Also the ion angular spreads were found to be a function of ablated metal, e.g., the narrowest for Fe, the broadest for Al, due to different collisional coupling in the plasma population. (c) 2007 American Institute of Physics. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000246072200047 |
Publication Date |
2007-04-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
31 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
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Call Number |
UA @ lucian @ c:irua:64635 |
Serial |
1788 |
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Permanent link to this record |
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Author |
van Vaeck, L.; van Roy, W.; Gijbels, R.; Adams, F. |
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Title |
Lasers in mass spectrometry: organic and inorganic instrumentation |
Type |
H3 Book chapter |
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Year |
1993 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
7-126 |
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Keywords |
H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Publisher |
Wiley |
Place of Publication |
New York |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6123 |
Serial |
1799 |
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Permanent link to this record |
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Author |
Osella, S.; Knippenberg, S. |
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Title |
Laurdan as a molecular rotor in biological environments |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS applied bio materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
12 |
Pages |
5769-5778 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
000616372300047 |
Publication Date |
2019-11-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2576-6422 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:180356 |
Serial |
8166 |
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Permanent link to this record |
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Author |
Nematollahi, P.; Neyts, E.C. |
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Title |
Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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Volume |
11 |
Issue |
7 |
Pages |
1794 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Immobilization of two single transition metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. If the substrate contains more than one vacancy site, the combination of TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bi-metal composition. By means of DFT calculations, we modeled three dissimilar bi-metal atoms (Ti, Mn, and Cu) doped into the six porphyrin-like cavities of porous C24N24 fullerene, considering different bi-metal distribution patterns for each binary complex, viz. TixCuz@C24N24, TixMny@C24N24, and MnyCuz@C24N24 (with x, y, z = 0-6). We elucidate whether controlling the distribution of bi-metal atoms into the C24N24 cavities can alter their catalytic activity toward CO2, NO2, H-2, and N-2 gas capture. Interestingly, Ti2Mn4@C24N24 and Ti2Cu4@C24N24 complexes showed the highest activity and selectively toward gas capture. Our findings provide useful information for further design of novel few-atom carbon-nitride-based catalysts. |
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Corporate Author |
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Place of Publication |
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Wos |
000676140500001 |
Publication Date |
2021-07-09 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.553 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.553 |
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Call Number |
UA @ admin @ c:irua:180372 |
Serial |
8174 |
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Permanent link to this record |