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Author Clima, S.; Kaczer, B.; Govoreanu, B.; Popovici, M.; Swerts, J.; Verhulst, A.S.; Jurczak, M.; De Gendt, S.; Pourtois, G. doi  openurl
  Title Determination of ultimate leakage through rutile TiO2 and tetragonal ZrO2 from ab initio complex band calculations Type A1 Journal article
  Year 2013 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L  
  Volume 34 Issue 3 Pages 402-404  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract First-principle complex band structures have been computed for rutile TiO2 and tetragonal ZrO2 insulating materials that are of current technological relevance to dynamic random accessmemorymetal-insulator-metal (MIM) capacitors. From the magnitude of the complex wave vectors in different orientations, the most penetrating orientations have been identified. Tunneling effective masses m(tunnel) have been extracted, are shown to be a crucial parameter for the intrinsic leakage, and are identified to be an important parameter in further scaling of MIM capacitors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315723000024 Publication Date 2013-01-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3106;1558-0563; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.048 Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: 3.048; 2013 IF: 3.023  
  Call Number UA @ lucian @ c:irua:108295 Serial 680  
Permanent link to this record
 

 
Author Luyten, W.; Volkov, V.V.; van Landuyt, J.; Amelinckx, S.; Férauge, C.; Gijbels, R.; Vasilev, M.G.; Shelyakin, A.A.; Lazarev, V.B. doi  openurl
  Title Electron microscopy and mass-spectrometry study of In0.72Ga0.28As0.62P0.38 lasers grown by liquid phase epitaxy Type A1 Journal article
  Year 1993 Publication Physica status solidi: A: applied research Abbreviated Journal  
  Volume 140 Issue 2 Pages 453-462  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Broad area as well as buried heterostructure lasers based on In0.72Ga0.28As0.62P0.38/InP and emitting at 1.3 mum are grown by liquid phase epitaxy and are studied in detail by means of transmission electron microscopy, X-ray diffraction, secondary ion mass-spectrometry, and electroluminescence. The InGaAsP epilayer is found to be well lattice-matched and of good structural quality. A tentative explanation is presented for the spinodal decomposition observed in the InGaAsP alloy. We also report on the high performance characteristics of the infrared lasers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos A1993MP79700015 Publication Date 2007-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-8965;1521-396X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (down) 3 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:6156 Serial 946  
Permanent link to this record
 

 
Author Bosch, B.; Leleu, M.; Oustrière, P.; Sarcia, C.; Sureau, J.F.; Blommaert, W.; Gijbels, R.; Sadurski, A.; Vandelannoote, R.; Van Grieken, R.; Van 'T Dack, L.; pdf  doi
openurl 
  Title Hydrogeochemistry in the zinclead mining district of Les Malines (Gard, France) Type A1 Journal article
  Year 1986 Publication Chemical geology Abbreviated Journal Chem Geol  
  Volume 55 Issue 1/2 Pages 31-44  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Sensitive multi-element analysis techniques together with major-element and isotopic analyses were applied to spring, mine and surface waters in the vicinity of an important known zinclead deposit in a carbonate environment, in the Les Malines area (Gard, France). Both the dissolved and suspended phases were investigated, and concretions and sediments were also considered in some cases. This methodological test shows that the ore body leaves various clear fingerprints, such as the Zn, As, Sb, Pb and U levels in the dissolved phase, the sulfate increment and the δ 34S. Some of the elements in solution are controlled by slightly soluble compounds, e.g. Zn by smithsonite and hydrozincite, Ba by barite, and Pb by hydrocerussite. Mapping the saturation indices for these elements appears useful for displaying the hydrogeochemical anomaly.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1986C743300003 Publication Date 2003-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2541; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.524 Times cited (down) 3 Open Access  
  Notes Approved CRYSTALLOGRAPHY 19/26 Q3 # PHYSICS, CONDENSED MATTER 53/67 Q4 #  
  Call Number UA @ lucian @ c:irua:111481 Serial 1537  
Permanent link to this record
 

 
Author Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A. pdf  doi
openurl 
  Title Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity Type A1 Journal article
  Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 11 Issue 7 Pages 678-684  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This paper reports on the incorporation of three commercial fluorescent dyes, i.e., rhodamine 6G, fluorescein, and fluorescent brightener 184, in plasma coatings, by utilizing a dielectric barrier discharge (DBD) reactor, and the subsequent monitoring of the coatings homogeneity based on the emitted fluorescent light. The plasma coatings are qualitatively characterized with fluorescence microscopy, UVvis spectroscopy and profilometry for the determination of the coating thickness. The emitted fluorescent light of the coating correlates to the amount of dye per area, and deviations of these factors can hence be observed by monitoring the intensity of this light. This allows monitoring the homogeneity of the plasma coatings in a fast and simple way, without making major adjustments to the process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000340416300007 Publication Date 2014-05-03  
  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 (down) 3 Open Access  
  Notes Approved Most recent IF: 2.846; 2014 IF: 2.453  
  Call Number UA @ lucian @ c:irua:118063 Serial 1598  
Permanent link to this record
 

 
Author Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T. pdf  url
doi  openurl
  Title Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 119 Issue 119 Pages 11903-11908  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000355495600072 Publication Date 2015-05-06  
  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 (down) 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 Volkov, V.V.; van Landuyt, J.; Marushkin, K.; Gijbels, R.; Férauge, C.; Vasilyev, M.G.; Shelyakin, A.A.; Sokolovsky, A.A. pdf  doi
openurl 
  Title LPE growth and characterization of InGaAsP/InP heterostructures: IR-emitting diodes at 1.66 μm: application to the remote monitoring of methane gas Type A1 Journal article
  Year 1997 Publication Sensors and actuators : A : physical Abbreviated Journal Sensor Actuat A-Phys  
  Volume 62 Issue 1/3 Pages 624-632  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Highly effective IR light-emitting diodes operating at the wavelength 1.66 mu m and based on the buried heterostructure In0.88Ga0.12As0.26P0.74/ In0.72Ga0.28As0.62P0.38/In0.53Ga0.47As/InP have been grown by liquid-phase epitaxy (LPE) and characterized in detail by means of transmission electron microscopy (TEM), high-resolution electron microscopy (HREM),electron diffraction (ED), X-ray diffraction (XRD), secondary-ion mass spectrometry (SIMS) and electroluminescence measurements. The InGaAsP epilayers are found to be well lattice matched and of good structural quality. A tentative explanation is presented for the spinodal decomposition observed in InGaAsP alloys. A new type of selective CK, gas sensor has been developed and fabricated an the basis of the IR light-emitting diode mentioned above. Especially designed for the remote control of CH4 gas via fibre optics, an integrated optoelectronic readout scheme has been developed and tested, It is shown that the proposed type of sensor can be used for the quantitative remote control of CH4 gas concentration (0.2-100%) via a fibre glass line up to a distance of 2 x 1 km. (C) 1997 Elsevier Science S.A.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos A1997YD90600029 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0924-4247; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.499 Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: 2.499; 1997 IF: 0.635  
  Call Number UA @ lucian @ c:irua:20455 Serial 1855  
Permanent link to this record
 

 
Author Zhang, Y.-R.; Tinck, S.; De Schepper, P.; Wang, Y.-N.; Bogaerts, A. url  doi
openurl 
  Title Modeling and experimental investigation of the plasma uniformity in CF4/O2 capacitively coupled plasmas, operating in single frequency and dual frequency regime Type A1 Journal article
  Year 2015 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A  
  Volume 33 Issue 33 Pages 021310  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A two-dimensional hybrid Monte Carlofluid model, incorporating a full-wave solution of Maxwell's equations, is employed to describe the behavior of high frequency (HF) and very high frequency capacitively coupled plasmas (CCPs), operating both at single frequency (SF) and dual frequency (DF) in a CF4/O2 gas mixture. First, the authors investigate the plasma composition, and the simulations reveal that besides CF4 and O2, also COF2, CF3, and CO2 are important neutral species, and CF+3 and F− are the most important positive and negative ions. Second, by comparing the results of the model with and without taking into account the electromagnetic effects for a SF CCP, it is clear that the electromagnetic effects are important, both at 27 and 60 MHz, because they affect the absolute values of the calculation results and also (to some extent) the spatial profiles, which accordingly affects the uniformity in plasma processing. In order to improve the plasma radial uniformity, which is important for the etch process, a low frequency (LF) source is added to the discharge. Therefore, in the major part of the paper, the plasma uniformity is investigated for both SF and DF CCPs, operating at a HF of 27 and 60 MHz and a LF of 2 MHz. For this purpose, the authors measure the etch rates as a function of position on the wafer in a wide range of LF powers, and the authors compare them with the calculated fluxes toward the wafer of the plasma species playing a role in the etch process, to explain the trends in the measured etch rate profiles. It is found that at a HF of 60 MHz, the uniformity of the etch rate is effectively improved by adding a LF power of 2 MHz and 300 W, while its absolute value increases by about 50%, thus a high etch rate with a uniform distribution is observed under this condition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000355739500026 Publication Date 2015-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0734-2101;1520-8559; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.374 Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: 1.374; 2015 IF: 2.322  
  Call Number c:irua:122650 Serial 2107  
Permanent link to this record
 

 
Author Lenaerts, J.; Verlinden, G.; Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Geuens, I. doi  openurl
  Title Modeling of the sputtering process of cubic silver halide microcrystals and its relevance in depth profiling by secondary ion-mass spectrometry (SIMS) Type A1 Journal article
  Year 2001 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem  
  Volume 370 Issue 5 Pages 654-662  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000170115200032 Publication Date 2002-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0937-0633;1432-1130; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:37251 Serial 2135  
Permanent link to this record
 

 
Author Tinck, S.; De Schepper, P.; Bogaerts, A. pdf  doi
openurl 
  Title Numerical investigation of SiO2 coating deposition in wafer processing reactors with SiCl4/O2/Ar inductively coupled plasmas Type A1 Journal article
  Year 2013 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 10 Issue 8 Pages 714-730  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Simulations and experiments are performed to obtain a better insight in the plasma enhanced chemical vapor deposition process of SiO2 by SiCl4/O2/Ar plasmas for introducing a SiO2-like coating in wafer processing reactors. Reaction sets describing the plasma and surface chemistry of the SiCl4/O2/Ar mixture are presented. Typical calculation results include the bulk plasma characteristics, i.e., electrical properties, species densities, and information on important production and loss processes, as well as the chemical composition of the deposited coating, and the thickness uniformity of the film on all reactor surfaces. The film deposition characteristics, and the trends for varying discharge conditions, are explained based on the plasma behavior, as calculated by the model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000327790000006 Publication Date 2013-05-28  
  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 (down) 3 Open Access  
  Notes Approved Most recent IF: 2.846; 2013 IF: 2.964  
  Call Number UA @ lucian @ c:irua:109900 Serial 2397  
Permanent link to this record
 

 
Author Ignatova, V.A.; Lebedev, O.I.; Wätjen, U.; van Vaeck, L.; van Landuyt, J.; Gijbels, R.; Adams, F. doi  openurl
  Title Observation of Sb203 nanocrystals in SiO2 after Sb ion implantation Type A1 Journal article
  Year 2002 Publication Microchimica acta Abbreviated Journal Microchim Acta  
  Volume 139 Issue Pages 77-81  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Wien Editor  
  Language Wos 000175560300012 Publication Date 2003-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-3672;1436-5073; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.58 Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: 4.58; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:38378 Serial 2420  
Permanent link to this record
 

 
Author Geuens, I.; Nys, B.; Naudts, J.; Gijbels, R.; Jacob, W.; van Espen, P. openurl 
  Title The primary energy dependence of backscattered electron images up to 100 keV Type A1 Journal article
  Year 1991 Publication Scanning microscopy Abbreviated Journal  
  Volume 5 Issue 2 Pages 339-344  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Chemometrics (Mitac 3)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Chicago, Ill. Editor  
  Language Wos A1991GC67000005 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; WoS full record; WoS citing articles  
  Impact Factor Times cited (down) 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:709 Serial 2713  
Permanent link to this record
 

 
Author Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R. doi  openurl
  Title S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings Type A1 Journal article
  Year 2006 Publication Applied surface science Abbreviated Journal Appl Surf Sci  
  Volume 252 Issue 19 Pages 6628-6631  
  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 000240609900057 Publication Date 2006-06-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited (down) 3 Open Access  
  Notes Approved Most recent IF: 3.387; 2006 IF: 1.436  
  Call Number UA @ lucian @ c:irua:60083 Serial 2937  
Permanent link to this record
 

 
Author Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. url  doi
openurl 
  Title Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study Type A1 Journal article
  Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 15 Issue 36 Pages 15091-15097  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000323520600029 Publication Date 2013-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited (down) 3 Open Access  
  Notes ; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. ; Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:110793 Serial 3130  
Permanent link to this record
 

 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; Geuens, I.; Gijbels, R.; Jacob, W.; de Keyzer, R. openurl 
  Title A temperature study of mixed AgBr-AgBrI tabular crystals Type H1 Book chapter
  Year 1995 Publication Abbreviated Journal  
  Volume Issue Pages 70-76  
  Keywords H1 Book chapter; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Hawaii Editor  
  Language Wos A1995RY19900011 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 39 Series Issue 1 Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited (down) 3 Open Access  
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #  
  Call Number UA @ lucian @ c:irua:8459 Serial 3501  
Permanent link to this record
 

 
Author Khalilov, U.; Yusupov, M.; Bogaerts, A.; Neyts, E.C. url  doi
openurl 
  Title Selective Plasma Oxidation of Ultrasmall Si Nanowires Type A1 Journal article
  Year 2016 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 120 Issue 120 Pages 472-477  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Device performance of Si|SiOx core-shell based nanowires critically depends on the exact control over the oxide thickness. Low-temperature plasma oxidation is a highly promising alternative to thermal oxidation allowing for improved control over the oxidation process, in particular for ultrasmall Si nanowires. We here elucidate the room temperature plasma oxidation mechanisms of ultrasmall Si nanowires using hybrid molecular dynamics / force-bias Monte Carlo simulations. We demonstrate how the oxidation and concurrent water formation mechanisms are a function of the oxidizing plasma species and we demonstrate how the resulting core-shell oxide thickness can be controlled through these species. A new mechanism of water formation is discussed in detail. The results provide a detailed atomic level explanation of the oxidation process of highly curved Si surfaces. These results point out a route toward plasma-based formation of ultrathin core-shell Si|SiOx nanowires at room temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000368562200057 Publication Date 2015-12-21  
  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 (down) 3 Open Access  
  Notes U.K. and M.Y. gratefully acknowledge financial support from the Research Foundation – Flanders (FWO), Grants 12M1315N and 1200216N. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We thank Prof. A. C. T. van Duin for sharing the ReaxFF code. Approved Most recent IF: 4.536  
  Call Number c:irua:130677 Serial 4002  
Permanent link to this record
 

 
Author Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. pdf  url
doi  openurl
  Title Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 104306  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We perform first-principles calculations to investigate the preferred positions of B and P dopants, both neutral and in their preferred charge state, in Si and Si/SiO2 core-shell nanowires (NWs). In order to understand the observed trends in the formation energy, we isolate the different effects that determine these formation energies. By making the distinction between the unrelaxed and the relaxed formation energy, we separate the impact of the relaxation from that of the chemical environment. The unrelaxed formation energies are determined by three effects: (i) the effect of strain caused by size mismatch between the dopant and the host atoms, (ii) the local position of the band edges, and (iii) a screening effect. In the case of the SiNW (Si/SiO2 NW), these effects result in an increase of the formation energy away from the center (interface). The effect of relaxation depends on the relative size mismatch between the dopant and host atoms. A large size mismatch causes substantial relaxation that reduces the formation energy considerably, with the relaxation being more pronounced towards the edge of the wires. These effects explain the surface segregation of the B dopants in a SiNW, since the atomic relaxation induces a continuous drop of the formation energy towards the edge. However, for the P dopants, the formation energy starts to rise when moving from the center but drops to a minimum just next to the surface, indicating a different type of behavior. It also explains that the preferential location for B dopants in Si/SiO2 core-shell NWs is inside the oxide shell just next to the interface, whereas the P dopants prefer the positions next to the interface inside the Si core, which is in agreement with recent experiments. These preferred locations have an important impact on the electronic properties of these core-shell NWs. Our simulations indicate the possibility of hole gas formation when B segregates into the oxide shell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361636900031 Publication Date 2015-09-09  
  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 (down) 3 Open Access  
  Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:128729 Serial 4056  
Permanent link to this record
 

 
Author Wang, W.; Bogaerts, A. pdf  url
doi  openurl
  Title Effective ionisation coefficients and critical breakdown electric field of CO2at elevated temperature: effect of excited states and ion kinetics Type A1 Journal article
  Year 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 25 Issue 25 Pages 055025  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Electrical breakdown by the application of an electric field occurs more easily in hot gases than in cold gases because of the extra electron-species interactions that occur as a result of dissociation, ionization and excitation at higher temperature. This paper discusses some overlooked physics and clarifies inaccuracies in the evaluation of the effective ionization coefficients and the critical reduced breakdown electric field of CO2 at elevated temperature, considering the influence of excited states and ion kinetics. The critical reduced breakdown electric field is obtained by balancing electron generation and loss mechanisms using the electron energy distribution function (EEDF) derived from the Boltzmann transport equation under the two-term approximation. The equilibrium compositions of the hot gas mixtures are determined based on Gibbs free energy minimization considering the ground states as well as vibrationally and electronically excited states as independent species, which follow a Boltzmann distribution with a fixed excitation temperature. The interaction cross sections between electrons and the excited species, not reported previously, are properly taken into account. Furthermore, the ion kinetics, including electron–ion recombination, associative electron detachment, charge transfer and ion conversion into stable negative ion clusters, are also considered. Our results indicate that the excited species lead to a greater population of high-energy electrons at higher gas temperature and this affects the Townsend rate coefficients (i.e. of electron impact ionization and attachment), but the critical reduced breakdown electric field strength of CO2 is only affected when also properly accounting for the ion kinetics. Indeed, the latter greatly influences the effective ionization coefficients and hence the critical reduced breakdown electric field at temperatures above 1500 K. The rapid increase of the dissociative electron attachment cross-section of molecular oxygen with rising vibrational quantum number leads to a larger electron loss rate and this enhances the critical reduced breakdown electric field strength in the temperature range where the concentration of molecular oxygen is relatively high. The results obtained in this work show reasonable agreement with experimental results from literature, and are important for the evaluation of the dielectric strength of CO2 in a highly reactive environment at elevated temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000385494000006 Publication Date 2016-09-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited (down) 3 Open Access  
  Notes Skłodowska-Curie Individual Fellowship ‘GlidArc’ within Horizon2020 (Grant No.657304) and the FWO project (grant G.0383.16N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:135515 Serial 4281  
Permanent link to this record
 

 
Author Wang, W.; Berthelot, A.; Kolev, S.; Tu, X.; Bogaerts, A. pdf  url
doi  openurl
  Title CO2 conversion in a gliding arc plasma: 1D cylindrical discharge model Type A1 Journal article
  Year 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 25 Issue 25 Pages 065012  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract CO 2 conversion by a gliding arc plasma is gaining increasing interest, but the underlying mechanisms for an energy-efficient process are still far from understood. Indeed, the chemical complexity of the non-equilibrium plasma poses a challenge for plasma modeling due to the huge computational load. In this paper, a one-dimensional (1D) gliding arc model is developed in a cylindrical frame, with a detailed non-equilibrium CO 2 plasma chemistry set, including the CO 2 vibrational kinetics up to the dissociation limit. The model solves a set of time- dependent continuity equations based on the chemical reactions, as well as the electron energy balance equation, and it assumes quasi-neutrality in the plasma. The loss of plasma species and heat due to convection by the transverse gas flow is accounted for by using a characteristic frequency of convective cooling, which depends on the gliding arc radius, the relative velocity of the gas flow with respect to the arc and on the arc elongation rate. The calculated values for plasma density and plasma temperature within this work are comparable with experimental data on gliding arc plasma reactors in the literature. Our calculation results indicate that excitation to the vibrational levels promotes efficient dissociation in the gliding arc, and this is consistent with experimental investigations of the gliding arc based CO 2 conversion in the literature. Additionally, the dissociation of CO 2 through collisions with O atoms has the largest contribution to CO 2 splitting under the conditions studied. In addition to the above results, we also demonstrate that lumping the CO 2 vibrational states can bring a significant reduction of the computational load. The latter opens up the way for 2D or 3D models with an accurate description of the CO 2 vibrational kinetics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000386605100002 Publication Date 2016-10-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited (down) 3 Open Access  
  Notes This research was supported by the European Marie Skłodowska-Curie Individual Fellowship ‘GlidArc’ within Horizon2020 (Grant No. 657304) and by the FWO project (grant G.0383.16N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @ c:irua:135990 Serial 4286  
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Author Alves, L.L.; Bogaerts, A. pdf  url
doi  openurl
  Title Special Issue on Numerical Modelling of Low-Temperature Plasmas for Various Applications – Part I: Review and Tutorial Papers on Numerical Modelling Approaches Type Editorial
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1690011  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2017-01-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links UA library record  
  Impact Factor 2.846 Times cited (down) 3 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.846  
  Call Number PLASMANT @ plasmant @ c:irua:141721 Serial 4475  
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Author Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. url  doi
openurl 
  Title Atomistic simulations of graphite etching at realistic time scales Type A1 Journal article
  Year 2017 Publication Chemical science Abbreviated Journal Chem Sci  
  Volume 8 Issue 10 Pages 7160-7168  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Hydrogen–graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe timescale

limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of 1020 m2 s1. The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C–C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching – chemical erosion – is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411730500055 Publication Date 2017-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.668 Times cited (down) 3 Open Access OpenAccess  
  Notes DIFFER is part of the Netherlands Organisation for Scientic Research (NWO). K. M. B. is funded as a PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. Approved Most recent IF: 8.668  
  Call Number PLASMANT @ plasmant @c:irua:145519 Serial 4707  
Permanent link to this record
 

 
Author Wang, H.; Wang, W.; Yan, J.D.; Qi, H.; Geng, J.; Wu, Y. pdf  doi
openurl 
  Title Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications Type A1 Journal article
  Year 2017 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 50 Issue 39 Pages 395204  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al's derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto's electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000410390100001 Publication Date 2017-07-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited (down) 3 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.588  
  Call Number UA @ lucian @ c:irua:145603 Serial 4754  
Permanent link to this record
 

 
Author Vanraes, P.; Nikiforov, A.; Bogaerts, A.; Leys, C. url  doi
openurl 
  Title Study of an AC dielectric barrier single micro-discharge filament over a water film Type A1 Journal article
  Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 8 Issue 1 Pages 10919  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In the last decades, AC powered atmospheric dielectric barrier discharges (DBDs) in air with a liquid electrode have been proposed as a promising plasma technology with versatile applicability in medicine agriculture and water treatment. The fundamental features of the micro-discharge filaments that make up this type of plasma have, however, not been studied yet in sufficient detail. In order to address this need, we investigated a single DBD micro-discharge filament over a water film in a sphere-to-sphere electrode configuration, by means of ICCD imaging and optical emission spectroscopy. When the water film temporarily acts as the cathode, the plasma duration is remarkably long and shows a clear similarity with a resistive barrier discharge, which we attribute to the resistive nature of the water film and the formation of a cathode fall. As another striking difference to DBD with solid electrodes, a constant glow-like plasma is observed at the water surface during the entire duration of the applied voltage cycle, indicating continuous plasma treatment of the liquid. We propose several elementary mechanisms that might underlie the observed unique behavior, based on the specific features of a water electrode.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000439101600018 Publication Date 2018-07-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited (down) 3 Open Access OpenAccess  
  Notes P. Vanraes acknowledges funding by a University of Antwerp BOF grant. Approved Most recent IF: 4.259  
  Call Number PLASMANT @ plasmant @c:irua:152822c:irua:152411 Serial 4999  
Permanent link to this record
 

 
Author Zhang, Q.-Z.; Bogaerts, A. pdf  url
doi  openurl
  Title Plasma streamer propagation in structured catalysts Type A1 Journal Article
  Year 2018 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T  
  Volume 27 Issue 10 Pages 105013  
  Keywords A1 Journal Article; plasma catalysis, streamer propagation, 3D structures, PIC/MCC; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Plasma catalysis is gaining increasing interest for various environmental applications. Catalytic

material can be inserted in different shapes in the plasma, e.g., as pellets, (coated) beads, but also

as honeycomb monolith and 3DFD structures, also called ‘structured catalysts’, which have high

mass and heat transfer properties. In this work, we examine the streamer discharge propagation

and the interaction between plasma and catalysts, inside the channels of such structured catalysts,

by means of a two-dimensional particle-in-cell/Monte Carlo collision model. Our results reveal

that plasma streamers behave differently in various structured catalysts. In case of a honeycomb

structure, the streamers are limited to only one channel, with low or high plasma density when

the channels are parallel or perpendicular to the electrodes, respectively. In contrast, in case of a

3DFD structure, the streamers can distribute to different channels, causing discharge

enhancement due to surface charging on the dielectric walls of the structured catalyst, and

especially giving rise to a broader plasma distribution. The latter should be beneficial for plasma

catalysis applications, as it allows a larger catalyst surface area to be exposed to the plasma.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000448131900002 Publication Date 2018-10-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited (down) 3 Open Access Not_Open_Access  
  Notes We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:155510 Serial 5068  
Permanent link to this record
 

 
Author Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. pdf  url
doi  openurl
  Title How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion Type A1 Journal article
  Year 2019 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 372 Issue Pages 1253-1264  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as

equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically

investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and

packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in

a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in

combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e.,

power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing

material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the

type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no

apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials

studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23

and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide

a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order

to be able to distinguish plasma effects from true catalytic enhancement.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000471670400116 Publication Date 2019-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited (down) 3 Open Access Not_Open_Access: Available from 05.05.2021  
  Notes European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. Approved Most recent IF: 6.216  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159979 Serial 5171  
Permanent link to this record
 

 
Author Ramakers, M.; Heijkers, S.; Tytgat, T.; Lenaerts, S.; Bogaerts, A. pdf  url
doi  openurl
  Title Combining CO2 conversion and N2 fixation in a gliding arc plasmatron Type A1 Journal article
  Year 2019 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util  
  Volume 33 Issue Pages 121-130  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Industry needs a flexible and efficient technology to convert CO2 into useful products, which fits in the Carbon Capture and Utilization (CCU) philosophy. Plasma technology is intensively being investigated for this purpose. A promising candidate is the gliding arc plasmatron (GAP). Waste streams of CO2 are often not pure and contain N2 as important impurity. Therefore, in this paper we provide a detailed experimental and computational study of the combined CO2 and N2 conversion in a GAP. Is it possible to take advantage of the presence of N2 in the mixture and to combine CO2 conversion with N2 fixation? Our experiments and simulations reveal that N2 actively contributes to the process of CO2 conversion, through its vibrational levels. In addition, NO and NO2 are formed, with concentrations around 7000 ppm, which is slightly too low for valorization, but by improving the reactor design it must be possible to further increase their concentrations. Other NO-based molecules, in particular the strong greenhouse gas N2O, are not formed in the GAP, which is an important result. We also compare our results with those obtained in other plasma reactors to clarify the differences in underlying plasma processes, and to demonstrate the superiority of the GAP.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487274100013 Publication Date 2019-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.292 Times cited (down) 3 Open Access Not_Open_Access: Available from 23.05.2021  
  Notes Fund for Scientific Research Flanders, G.0383.16N ; Excellence of Science program of the Fund for Scientific Research, G0F9618N ; Hercules Foundation, the Flemish Government; UAntwerpen; We acknowledge financial support from the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N) and the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F9618N; EOS ID: 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Finally, we also want to thank Dr. Ramses Snoeckx for the very interesting discussions, and A. Fridman and A. Rabinovich for developing the GAP. Approved Most recent IF: 4.292  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159984 Serial 5173  
Permanent link to this record
 

 
Author Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. pdf  url
doi  openurl
  Title Transport of cystine across xC-antiporter Type A1 Journal article
  Year 2019 Publication Archives of biochemistry and biophysics Abbreviated Journal Arch Biochem Biophys  
  Volume 664 Issue Pages 117-126  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Extracellular cystine (CYC) uptake by xC antiporter is important for the cell viability. Especially in cancer cells, the upregulation of xC activity is observed, which protects these cells from intracellular oxidative stress. Hence, inhibition of the CYC uptake may eventually lead to cancer cell death. Up to now, the molecular level mechanism of the CYC uptake by xC antiporter has not been studied in detail. In this study, we applied several different simulation techniques to investigate the transport of CYC through xCT, the light subunit of the xC antiporter, which is responsible for the CYC and glutamate translocation. Specifically, we studied the permeation of CYC across three model systems, i.e., outward facing (OF), occluded (OCC) and inward facing (IF) configurations of xCT. We also investigated the effect of mutation of Cys327 to Ala within xCT, which was also studied experimentally in literature. This allowed us to qualitatively compare our computation results with experimental observations, and thus, to validate our simulations. In summary, our simulations provide a molecular level mechanism of the transport of CYC across the xC antiporter, more specifically, which amino acid residues in the xC antiporter play a key role in the uptake, transport and release of CYC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000461411200014 Publication Date 2019-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-9861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.165 Times cited (down) 3 Open Access OpenAccess  
  Notes Research Foundation − FlandersResearch Foundation − Flanders (FWO), 1200216N 1200219N ; Hercules FoundationHercules Foundation; Flemish GovernmentFlemish Government (department EWI); UAUA; M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant numbers 1200216N and 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. Approved Most recent IF: 3.165  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:158571 Serial 5183  
Permanent link to this record
 

 
Author Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. pdf  doi
openurl 
  Title Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source Type A1 Journal article
  Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng  
  Volume 13 Issue 2 Pages 324-329  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468848400009 Publication Date 2019-03-26  
  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 (down) 3 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.712  
  Call Number UA @ admin @ c:irua:160278 Serial 5276  
Permanent link to this record
 

 
Author Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. pdf  doi
openurl 
  Title Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles Type A1 Journal article
  Year 2020 Publication Physica Status Solidi-Rapid Research Letters Abbreviated Journal Phys Status Solidi-R  
  Volume Issue Pages 1900672  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Density functional theory simulations are used to identify the structural factors that define the material properties of ovonic threshold switches (OTS). They show that the nature of mobility-gap trap states in amorphous Ge-rich Ge50Se50 is related to Ge-Ge bonds, whereas in Se-rich Ge30Se70 the Ge valence-alternating-pairs and Se lone-pairs dominate. To obtain a faithful description of the electronic structure and delocalization of states, it is required to combine hybrid exchange-correlation functionals with large unit-cell models. The extent of localization of electronic states depends on the applied external electric field. Hence, OTS materials undergo structural changes during electrical cycling of the device, with a decrease in the population of less exothermic Ge-Ge bonds in favor of more exothermic Ge-Se. This reduces the amount of charge traps, which translates into coordination changes, an increase in mobility-gap, and subsequently changes in the selector-device electrical parameters. The threshold voltage drift process can be explained by natural evolution of the nonpreferred Ge-Ge bonds (or “chains”/clusters thereof) in Ge-rich GexSe1-x. The effect of extrinsic doping is shown for Si and N, which introduce strong covalent bonds into the system, increase both mobility-gap and crystallization temperature, and decrease the leakage current.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000512431100001 Publication Date 2020-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.8 Times cited (down) 3 Open Access  
  Notes ; This work was carried out in the framework of the imec Core CMOS-Emerging Memory Program. Financial support from EU H2020-NMBPTO-IND-2018 project “INTERSECT” (Grant No. 814487) is acknowledged. ; Approved Most recent IF: 2.8; 2020 IF: 3.032  
  Call Number UA @ admin @ c:irua:166492 Serial 6575  
Permanent link to this record
 

 
Author Ndayirinde, C.; Gorbanev, Y.; Ciocarlan, R.-G.; De Meyer, R.; Smets, A.; Vlasov, E.; Bals, S.; Cool, P.; Bogaerts, A. pdf  url
doi  openurl
  Title Plasma-catalytic ammonia synthesis : packed catalysts act as plasma modifiers Type A1 Journal article
  Year 2023 Publication Catalysis today Abbreviated Journal  
  Volume 419 Issue Pages 114156-12  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We studied the plasma-catalytic production of NH3 from H2 and N2 in a dielectric barrier discharge plasma reactor using five different Co-based catalysts supported on Al2O3, namely Co/Al2O3, CoCe/Al2O3, CoLa/Al2O3, CoCeLa/Al2O3 and CoCeMg/Al2O3. The catalysts were characterized via several techniques, including SEM-EDX, and their performance was compared. The best performing catalyst was found to be CoLa/Al2O3, but the dif-ferences in NH3 concentration, energy consumption and production rate between the different catalysts were limited under the same conditions (i.e. feed gas, flow rate and ratio, and applied power). At the same time, the plasma properties, such as the plasma power and current profile, varied significantly depending on the catalyst. Taken together, these findings suggest that in the production of NH3 by plasma catalysis, our catalysts act as plasma modifiers, i.e., they change the discharge properties and hence the gas phase plasma chemistry. Importantly, this effect dominates over the direct catalytic effect (as e.g. in thermal catalysis) defined by the chemistry on the catalyst surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000987221300001 Publication Date 2023-04-10  
  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 5.3 Times cited (down) 3 Open Access OpenAccess  
  Notes This research was supported by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project) and the Methusalem project of the University of Antwerp. We also gratefully acknowledge the NH3-TPD analysis performed by Sander Bossier. Approved Most recent IF: 5.3; 2023 IF: 4.636  
  Call Number UA @ admin @ c:irua:197268 Serial 8917  
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Author de Vyt, A.; Gijbels, R.; Davock, H.; van Roost, C.; Geuens, I. doi  openurl
  Title Characterization of AgxAuy nano particles by TEM and STEM Type A1 Journal article
  Year 1999 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 14 Issue Pages 499-504  
  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 000079138500027 Publication Date 2002-07-26  
  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 (down) 2 Open Access  
  Notes Approved Most recent IF: 3.379; 1999 IF: 3.677  
  Call Number UA @ lucian @ c:irua:24927 Serial 334  
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