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Author Setareh, M.; Farnia, M.; Maghari, A.; Bogaerts, A. pdf  doi
openurl 
  Title CF4 decomposition in a low-pressure ICP : influence of applied power and O2 content Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 47 Issue 35 Pages 355205  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This paper focuses on the investigation of CF4 decomposition in a low-pressure inductively coupled plasma by means of a global model. The influence of O2 on the CF4 decomposition process is studied for conditions used in semiconductor manufacturing processes. The model is applied for different powers and O2 contents ranging between 2% and 98% in the CF4/O2 gas mixture. The model includes the reaction mechanisms in the gas phase coupled with the surface reactions and sticking probabilities of the species at the walls. The calculation results are first compared with experimental results from the literature (for the electron density, temperature and F atom density) at a specific power, in the entire range of CF4/O2 gas mixture ratios, and the obtained agreements indicate the validity of the model. The main products of the gas mixture, obtained from this model, include CO, CO2 and COF2 together with a low fraction of F2. The most effective reactions for the formation and loss of the various species in this process are also determined in detail. Decomposition of CF4 produces mostly CF3 and F radicals. These radicals also contribute to the backward reactions, forming again CF4. This study reveals that the maximum decomposition efficiency of CF4 is achieved at a CF4/O2 ratio equal to 1, at the applied power of 300 W.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000341353800017 Publication Date 2014-08-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 8 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2014 IF: 2.721  
  Call Number UA @ lucian @ c:irua:118327 Serial 3521  
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Author Wang, H.; Cuppens, J.; Biermans, E.; Bals, S.; Fernandez-Ballester, L.; Kvashnina, K.O.; Bras, W.; van Bael, M.J.; Temst, K.; Vantomme, A. pdf  doi
openurl 
  Title Tuning of the size and the lattice parameter of ion-beam synthesized Pb nanoparticles embedded in Si Type A1 Journal article
  Year 2012 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 45 Issue 3 Pages 035301-035301,7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The size and lattice constant evolution of Pb nanoparticles (NPs) synthesized by high fluence implantation in crystalline Si have been studied with a variety of experimental techniques. Results obtained from small-angle x-ray scattering showed that the Pb NPs grow with increasing implantation fluence and annealing duration. The theory of NP growth kinetics can be applied to qualitatively explain the size evolution of the Pb NPs during the implantation and annealing processes. Moreover, the lattice constant of the Pb NPs was evaluated by conventional x-ray diffraction. The lattice dilatation was observed to decrease with increasing size of the Pb NPs. Such lattice constant tuning can be attributed to the pseudomorphism caused by the lattice mismatch between the Pb NPs and the Si matrix.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000299308400008 Publication Date 2011-12-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 5 Open Access  
  Notes Fwo; Iap Approved (down) Most recent IF: 2.588; 2012 IF: 2.528  
  Call Number UA @ lucian @ c:irua:94208 Serial 3754  
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Author Bogaerts, A.; Eckert, M.; Mao, M.; Neyts, E. doi  openurl
  Title Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials Type A1 Journal article
  Year 2011 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 44 Issue 17 Pages 174030-174030,16  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this review paper, an overview is given of different modelling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modelling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e. (U)NCD and CNTs, both by mechanistic modelling and detailed atomistic simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000289512700030 Publication Date 2011-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 25 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2011 IF: 2.544  
  Call Number UA @ lucian @ c:irua:88364 Serial 463  
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Author Mao, M.; Wang, Y.N.; Bogaerts, A. pdf  doi
openurl 
  Title Numerical study of the plasma chemistry in inductively coupled SF6 and SF6/AR plasmas used for deep silicon etching applications Type A1 Journal article
  Year 2011 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 44 Issue 43 Pages 435202,1-435202,15  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A hybrid model, called the hybrid plasma equipment model, was used to study inductively coupled SF6 plasmas used for Si etching applications. The plasma properties such as number densities of electrons, positive and negative ions, and neutrals are calculated under typical etching conditions. The electron kinetics is analysed by means of the electron energy probability function. The plasma chemistry taking place in pure SF6 and in an Ar/SF6 mixture is also discussed, and finally the effect of the argon fraction on the plasma properties is investigated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000296591100004 Publication Date 2011-10-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 20 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2011 IF: 2.544  
  Call Number UA @ lucian @ c:irua:91754 Serial 2409  
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Author Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. pdf  doi
openurl 
  Title Optimized fabrication of high-quality La0.67Sr0.33MnO3 thin films considering all essential characteristics Type A1 Journal article
  Year 2011 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 44 Issue 20 Pages 205001-205001,9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000290150900001 Publication Date 2011-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 99 Open Access  
  Notes This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. Approved (down) Most recent IF: 2.588; 2011 IF: 2.544  
  Call Number UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557 Serial 2491  
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Author Mao, M.; Bogaerts, A. doi  openurl
  Title Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system : the effect of different gas mixtures Type A1 Journal article
  Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 43 Issue 20 Pages 205201,1-205201,20  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an inductively coupled plasma in gas mixtures of H2 or NH3 with CH4 or C2H2 used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs). The plasma properties are discussed for different gas mixtures at low and moderate pressures, and the growth precursors for CNTs/CNFs are analysed. It is found that C2H2, C2H4 and C2H6 are the predominant molecules in CH4 containing plasmas besides the feedstock gas, and serve as carbon sources for CNT/CNF formation. On the other hand, long-chain hydrocarbons are observed in C2H2-containing plasmas. Furthermore, the background gases CH4 and C2H2 show a different decomposition rate with H2 or NH3 addition at moderate pressures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000277373400009 Publication Date 2010-05-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 52 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2010 IF: 2.109  
  Call Number UA @ lucian @ c:irua:82067 Serial 1723  
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Author Mao, M.; Bogaerts, A. doi  openurl
  Title Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma-enhanced CVD system : the effect of processing parameters Type A1 Journal article
  Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 43 Issue 31 Pages 315203-315203,15  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A parameter study is carried out for an inductively coupled plasma used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs), by means of the Hybrid Plasma Equipment Model. The influence of processing parameters including gas ratio for four different gas mixtures typically used for CNT/CNF growth (i.e. CH4/H2, CH4/NH3, C2H2/H2 and C2H2/NH3), inductively coupled plasma (ICP) power (501000 W), operating pressure (10 mTorr1 Torr), bias power (01000 W) and temperature of the substrate (01000 °C) on the plasma chemistry is investigated and the optimized conditions for CNT/CNF growth are analysed. Summarized, our calculations suggest that a lower fraction of hydrocarbon gases (CH4 or C2H2, i.e. below 20%) and hence a higher fraction of etchant gases (H2 or NH3) in the gas mixture result in more 'clean' conditions for controlled CNT/CNF growth. The same applies to a higher ICP power, a moderate ICP gas pressure above 100 mTorr (at least for single-walled carbon nanotubes), a high bias power (for aligned CNTs) and an intermediate substrate temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000280275200007 Publication Date 2010-07-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 17 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2010 IF: 2.109  
  Call Number UA @ lucian @ c:irua:88365 Serial 1724  
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Author Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. doi  openurl
  Title Fluid modelling of an atmospheric pressure dielectric barrier discharge in cylindrical geometry Type A1 Journal article
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 20 Pages 205206,1-205206,12  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A numerical parameter study has been performed for a cylindrical atmospheric pressure dielectric barrier discharge (DBD) in helium with nitrogen impurities using a two-dimensional time-dependent fluid model. The calculated electric currents and gap voltages as a function of time for a given applied potential are presented, as well as the number densities of the various plasma species. This study shows that for the geometry under consideration the applied voltage parameters have a large impact on the electric current profiles and that the discharge current is always determined by the electron and ion conduction currents while the displacement current is nearly negligible. A relative broadening of the current profiles (compared with the duration of the half cycle of the applied voltage) with an increase in the applied frequency is obtained. Nearly sinusoidal current wave forms, usually typical for radio frequency DBDs, are observed while still operating at the frequencies of tens of kilohertz. For the setup under investigation, the Townsend mode of the DBD is observed in the entire range of applied voltage amplitudes and frequencies. It is shown that the average power density dissipated in the discharge increases with rising applied voltage and frequency. An increase in applied voltage frequency leads to an increase in the electron density and a decrease in electron energy, while increasing the voltage amplitude has the opposite effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000270563200028 Publication Date 2009-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 29 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:78202 Serial 1228  
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Author Martens, T.; Brok, W.J.M.; van Dijk, J.; Bogaerts, A. doi  openurl
  Title On the regime transitions during the formation of an atmospheric pressure dielectric barrier glow discharge Type A1 Journal article
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 12 Pages 122002,1-122002,5  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The atmospheric pressure dielectric barrier discharge in helium is a pulsed discharge in nature. If during the electrical current pulse a glow discharge is reached, then this pulse will last only a few microseconds in operating periods of sinusoidal voltage with lengths of about 10 to 100 µs. In this paper we demonstrate that right before a glow discharge is reached, the discharge very closely resembles the commonly assumed Townsend discharge structure, but actually contains some significant differing features and hence should not be considered as a Townsend discharge. In order to clarify this, we present calculation results of high time and space resolution of the pulse formation. The results indicate that indeed a maximum of ionization is formed at the anode, but that the level of ionization remains high and that the electric field at that time is significantly disturbed. Our results also show where this intermediate structure comes from.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000266639300002 Publication Date 2009-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 21 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:76458 Serial 2450  
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Author van Dijk, J.; Kroesen, G.M.W.; Bogaerts, A. doi  openurl
  Title Plasma modelling and numerical simulation Type Editorial
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 19 Pages 190301,1-190301,14  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma modelling is an exciting subject in which virtually all physical disciplines are represented. Plasma models combine the electromagnetic, statistical and fluid dynamical theories that have their roots in the 19th century with the modern insights concerning the structure of matter that were developed throughout the 20th century. The present cluster issue consists of 20 invited contributions, which are representative of the state of the art in plasma modelling and numerical simulation. These contributions provide an in-depth discussion of the major theories and modelling and simulation strategies, and their applications to contemporary plasma-based technologies. In this editorial review, we introduce and complement those papers by providing a bird's eye perspective on plasma modelling and discussing the historical context in which it has surfaced.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000269993100001 Publication Date 2009-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 64 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:78166 Serial 2637  
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Author Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. pdf  doi
openurl 
  Title Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments Type A1 Journal article
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 6 Pages 065107,1-065107,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000263824200024 Publication Date 2009-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 37 Open Access  
  Notes Iwt Approved (down) Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:73246 Serial 3110  
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Author Ruelle, B.; Felten, A.; Ghijsen, J.; Drube, W.; Johnson, R.L.; Liang, D.; Erni, R.; Van Tendeloo, G.; Dubois, P.; Hecq, M.; Bittencourt, C.; pdf  doi
openurl 
  Title Functionalization of MWCNTs with atomic nitrogen : electronic structure Type A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue 4 Pages 045202-45204  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The changes induced by exposing multi-walled carbon nanotubes (CNTs) to atomic nitrogen were analysed by high-resolution transmission electron microscopy (HRTEM), x-ray and ultraviolet photoelectron spectroscopy. It was found that the atomic nitrogen generated by a microwave plasma effectively grafts chemical groups onto the CNT surface altering the density of valence electronic states. HRTEM showed that the exposure to atomic nitrogen does not significantly damage the CNT surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000253177900018 Publication Date 2008-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 16 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:102633 Serial 1306  
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Author Mao, M.; Benedikt, J.; Consoli, A.; Bogaerts, A. doi  openurl
  Title New pathways for nanoparticle formation in acetylene dusty plasmas: a modelling investigation and comparison with experiments Type A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, the initial mechanisms of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas are investigated by means of a comprehensive self-consistent one-dimensional (1D) fluid model. This model is an extension of the 1D fluid model, developed earlier by De Bleecker et al. Based on the comparison of our previous results with available experimental data for acetylene plasmas in the literature, some new mechanisms for negative ion formation and growth are proposed. Possible routes are considered for the formation of larger (linear and branched) hydrocarbons C2nH2 (n = 3, 4, 5), which contribute to the generation of C2nH− anions (n = 3, 4, 5) due to dissociative electron attachment. Moreover, the vinylidene anion (H2CC−) and higher anions (n = 24) are found to be important plasma species.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000260738100024 Publication Date 2008-10-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 47 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:71018 Serial 2330  
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Author Eckert, M.; Neyts, E.; Bogaerts, A. doi  openurl
  Title On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation Type A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue Pages 032006,1-3  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000253177800006 Publication Date 2008-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 17 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:66107 Serial 2449  
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Author Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Johnson, R.L.; Whelan, C.M.; Liang, D.; Van Tendeloo, G. doi  openurl
  Title Effect of oxygen rf-plasma on electronic properties of CNTs Type A1 Journal article
  Year 2007 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 40 Issue 23 Pages 7379-7382  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000251797900029 Publication Date 2007-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 25 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2007 IF: 2.200  
  Call Number UA @ lucian @ c:irua:67284 Serial 828  
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Densification of thin a-C: H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 39 Issue 9 Pages 1948-1953  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000238233900035 Publication Date 2006-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 3 Open Access  
  Notes Approved (down) Most recent IF: 2.588; 2006 IF: 2.077  
  Call Number UA @ lucian @ c:irua:57254 Serial 634  
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Author Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. pdf  url
doi  openurl
  Title Multi-level molecular modelling for plasma medicine Type A1 Journal article
  Year 2016 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 49 Issue 49 Pages 054002  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma–biomolecule interactions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000368944100003 Publication Date 2015-12-16  
  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 11 Open Access  
  Notes This work is financially supported by the Fund for Scientific Research Flanders (FWO) and the Francqui Foundation. The calculations were carried out in part using the Turing HPC infrastructure of 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 Universiteit Antwerpen. Approved (down) Most recent IF: 2.588  
  Call Number c:irua:131571 Serial 3985  
Permanent link to this record
 

 
Author Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. pdf  url
openurl 
  Title Multi-level molecular modelling for plasma medicine Type A1 Journal article
  Year 2016 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 49 Issue 5 Pages 054002-54019  
  Keywords A1 Journal article; Plasma, laser ablation and surface modeling – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record  
  Impact Factor 2.588 Times cited Open Access  
  Notes Approved (down) Most recent IF: 2.588  
  Call Number UA @ lucian @ c:irua:129798 Serial 4467  
Permanent link to this record
 

 
Author Adamovich, I.; Baalrud, S.D.; Bogaerts, A.; Bruggeman, P.J.; Cappelli, M.; Colombo, V.; Czarnetzki, U.; Ebert, U.; Eden, J.G.; Favia, P.; Graves, D.B.; Hamaguchi, S.; Hieftje, G.; Hori, M.; Kaganovich, I.D.; Kortshagen, U.; Kushner, M.J.; Mason, N.J.; Mazouffre, S.; Thagard, S.M.; Metelmann, H.-R.; Mizuno, A.; Moreau, E.; Murphy, A.B.; Niemira, B.A.; Oehrlein, G.S.; Petrovic, Z.L.; Pitchford, L.C.; Pu, Y.-K.; Rauf, S.; Sakai, O.; Samukawa, S.; Starikovskaia, S.; Tennyson, J.; Terashima, K.; Turner, M.M.; van de Sanden, M.C.M.; Vardelle, A. url  doi
openurl 
  Title The 2017 Plasma Roadmap: Low temperature plasma science and technology Type A1 Journal article
  Year 2017 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 50 Issue 50 Pages 323001  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012

consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000405553800001 Publication Date 2017-07-14  
  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 246 Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @ c:irua:144626 Serial 4629  
Permanent link to this record
 

 
Author Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A. pdf  url
doi  openurl
  Title Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 51 Issue 12 Pages 125401  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000426378100001 Publication Date 2018-02-28  
  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 7 Open Access OpenAccess  
  Notes MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). 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 Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). Approved (down) Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @c:irua:149382 Serial 4811  
Permanent link to this record
 

 
Author Leliaert, J.; Dvornik, M.; Mulkers, J.; De Clercq, J.; Milošević, M.V.; Van Waeyenberge, B. pdf  doi
openurl 
  Title Fast micromagnetic simulations on GPU-recent advances made with mumax3 Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 51 Issue 12 Pages 123002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In the last twenty years, numerical modeling has become an indispensable part of magnetism research. It has become a standard tool for both the exploration of new systems and for the interpretation of experimental data. In the last five years, the capabilities of micromagnetic modeling have dramatically increased due to the deployment of graphical processing units (GPU), which have sped up calculations to a factor of 200. This has enabled many studies which were previously unfeasible. In this topical review, we give an overview of this modeling approach and show how it has contributed to the forefront of current magnetism research.  
  Address  
  Corporate Author Thesis  
  Publisher Iop publishing ltd Place of Publication Bristol Editor  
  Language Wos 000425774100001 Publication Date 2018-01-29  
  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 65 Open Access  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowledge the support of the NVIDIA Corporation with the donation of a Titan Xp GPU used for this research. ; Approved (down) Most recent IF: 2.588  
  Call Number UA @ lucian @ c:irua:149852UA @ admin @ c:irua:149852 Serial 4934  
Permanent link to this record
 

 
Author Razzokov, J.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A. pdf  url
doi  openurl
  Title Atomic scale understanding of the permeation of plasma species across native and oxidized membranes Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 51 Issue 36 Pages 365203  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Cold atmospheric plasmas (CAPs) have attracted significant interest for their potential benefits in medical applications, including cancer therapy. The therapeutic effects of CAPs are related to reactive oxygen and nitrogen species (ROS and RNS) present in the plasma. The impact of ROS has been extensively studied, but the role of RNS in CAP-treatment remains poorly understood at the molecular level. Here, we investigate the permeation of RNS and ROS across native and oxidized phospholipid bilayers (PLBs) by means of computer simulations. The results reveal significantly lower free energy barriers for RNS (i.e. NO, NO2, N2O4) and O3 compared to hydrophilic ROS, such as OH, HO2 and H2O2. This suggests that the investigated RNS and O3 can permeate more easily through both native and oxidized PLBs in comparison to hydrophilic ROS, indicating their potentially important role in plasma medicine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000441182400002 Publication Date 2018-08-08  
  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 10 Open Access OpenAccess  
  Notes M Y gratefully acknowledges financial support from the Research Foundation—Flanders (FWO), grant 1200216N. 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. RMC thanks FAPESP and CNPq for financial support (grants 2012/50680-5 and 459270/2014-1, respectively). Approved (down) Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @c:irua:152824 Serial 5005  
Permanent link to this record
 

 
Author Gröger, S.; Ramakers, M.; Hamme, M.; Medrano, J.A.; Bibinov, N.; Gallucci, F.; Bogaerts, A.; Awakowicz, P. pdf  url
doi  openurl
  Title Characterization of a nitrogen gliding arc plasmatron using optical emission spectroscopy and high-speed camera Type A1 Journal article
  Year 2019 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 52 Issue 6 Pages 065201  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A gliding arc plasmatron (GAP), which is very promising for purification and gas conversion,

is characterized in nitrogen using optical emission spectroscopy and high-speed photography,

because the cross sections of electron impact excitation of N 2 are well known. The gas

temperature (of about 5500 K), the electron density (up to 1.5 × 10 15 cm −3 ) and the reduced

electric field (of about 37 Td) are determined using an absolutely calibrated intensified charge-

coupled device (ICCD) camera, equipped with an in-house made optical arrangement for

simultaneous two-wavelength diagnostics, adapted to the transient behavior of a GA channel

in turbulent gas flow. The intensities of nitrogen molecular emission bands, N 2 (C–B,0–0) as

well as N +

2 (B–X,0–0), are measured simultaneously. The electron density and the reduced

electric field are determined at a spatial resolution of 30 µm, using numerical simulation and

measured emission intensities, applying the Abel inversion of the ICCD images. The temporal

behavior of the GA plasma channel and the formation of plasma plumes are studied using a

high-speed camera. Based on the determined plasma parameters, we suggest that the plasma

plume formation is due to the magnetization of electrons in the plasma channel of the GAP by

an axial magnetic field in the plasma vortex.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000451745900001 Publication Date 2018-11-30  
  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 7 Open Access Not_Open_Access: Available from 30.11.2019  
  Notes The authors are very grateful to Professor Kurt Behringer for the development of the program code for simulation of emis- sion spectra of nitrogen. Approved (down) Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:155974 Serial 5141  
Permanent link to this record
 

 
Author Leliaert, J.; Gypens, P.; Milošević, M.V.; Van Waeyenberge, B.; Mulkers, J. pdf  url
doi  openurl
  Title Coupling of the skyrmion velocity to its breathing mode in periodically notched nanotracks Type A1 Journal article
  Year 2019 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 52 Issue 2 Pages 024003  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A thorough understanding of the skyrmion motion through nanotracks is a prerequisite to realize the full potential of spintronic applications like the skyrmion racetrack memory. One of the challenges is to place the data, i.e. skyrmions, on discrete fixed positions, e.g. below a read or write head. In the domain-wall racetrack memory, one proposed solution to this problem was patterning the nanotrack with notches. Following this approach, this paper reports on the skyrmion mobility through a nanotrack with periodic notches (constrictions) made using variations in the chiral Dzyaloshinskii-Moriya interaction. We observe that such notches induce a coupling between the mobility and the skyrmion breathing mode, which manifests itself as velocity-dependent oscillations of the skyrmion diameter and plateaus in which the velocity is independent of the driving force. Despite the fact that domain walls are far more rigid objects than skyrmions, we were able to perform an analogous study and, surprisingly, found even larger plateaus of constant velocity. For both systems it is straightforward to tune the velocity at these plateaus by changing the design of the notched nanotrack geometry, e.g. by varying the distance between the notches. Therefore, the notch-induced coupling between the excited modes and the mobility could offer a strategy to stabilize the velocity against unwanted perturbations in racetrack-like applications. In the last part of the paper we focus on the low-current mobility regimes, whose very rich dynamics at nonzero temperatures are very similar to the operating principle of recently developed probabilistic logic devices. This proves that the mobility of nanomagnetic structures through a periodically modulated track is not only interesting from a fundamental point of view, but has a future in many spintronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000449169100001 Publication Date 2018-10-11  
  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 10 Open Access  
  Notes ; This work is supported by Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL acknowledges his postdoctoral fellowships by the Ghent University special research fund (BOF) and FWO-Vlaanderen. The authors gratefully acknowledge the support of NVIDIA Corporation through donation of Titan Xp and Titan V GPU cards used for this research. ; Approved (down) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:155359 Serial 5202  
Permanent link to this record
 

 
Author Khalili, M.; Daniels, L.; Lin, A.; Krebs, F.C.; Snook, A.E.; Bekeschus, S.; Bownel, W.B.; Miller, V. pdf  url
doi  openurl
  Title Non-thermal plasma-induced immunogenic cell death in cancer Type A1 Journal article
  Year 2019 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 52 Issue 42 Pages 423001  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Recent advances in biomedical research in cancer immunotherapy have identified the use of an oxidative stress-based approach to treat cancers, which works by inducing immunogenic cell death (ICD) in cancer cells. Since the anti-cancer effects of non-thermal plasma (NTP) are largely attributed to the reactive oxygen and nitrogen species that are delivered to and generated inside the target cancer cells, it is reasonable to postulate that NTP would be an effective modality for ICD induction. NTP treatment of tumors has been shown to destroy cancer cells rapidly and, under specific treatment regimens, this leads to systemic tumorspecific immunity. The translational benefit of NTP for treatment of cancer relies on its ability to enhance the interactions between NTP-exposed minor cells and local immune cells which initiates subsequent protective immune responses. This review discusses results from recent investigations of NTP application to induce ICD in cancer cells. With further optimization of clinical devices and treatment protocols, NTP can become an essential part of the therapeutic armament against cancer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000479103100001 Publication Date 2019-07-13  
  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 6 Open Access  
  Notes Approved (down) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:161774 Serial 6313  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Hoat, D.M.; Shahrokhi, M.; Fadlallah, M.M.; Shojaei, F.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title MoSi₂N₄ single-layer : a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 15 Pages 155303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Very recently, the 2D form of MoSi2N4 has been successfully fabricated (Hong et al 2020 Science 369 670). Motivated by these recent experimental results, we investigate the structural, mechanical, thermal, electronic and optical properties of the MoSi2N4 monolayer. The mechanical study confirms the stability of the MoSi2N4 monolayer. The Young's modulus decreases by similar to 30%, while the Poisson's ratio increases by similar to 30% compared to the corresponding values of graphene. In addition, the MoSi2N4 monolayer's work function is very similar to that of phosphorene and MoS2 monolayers. The electronic structure shows that the MoSi2N4 monolayer is an indirect semiconductor with a band gaps of 1.79 (2.35) eV using the GGA (HSE06) functional. The thermoelectric performance of the MoSi2N4 monolayer has been revealed and a figure of merit slightly larger than unity at high temperatures is calculated. The optical analysis shows that the first absorption peak for in-plane polarization is located in the visible range of the spectrum, therefore, the MoSi2N4 monolayer is a promising candidate for advanced optoelectronic nanodevices. In summary, the fascinating MoSi2N4 monoloayer is a promising 2D material for many applications due to its unique physical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000613849300001 Publication Date 2021-01-14  
  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 Open Access Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2015M2B2A4033123). Computational resources were provided by the Flemish Supercomputer Center (VSC) and TUBITAK ULAKBIM, High Performance and Grid Computing Center (Tr-Grid e-Infrastructure). ; Approved (down) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:176167 Serial 6693  
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C. pdf  url
doi  openurl
  Title Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption Type A1 Journal Article;plasma catalysis
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 39 Pages 394004  
  Keywords A1 Journal Article;plasma catalysis; vibrational nonequilibrium; dissociative chemisorption; free energy barriers; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract The rate, selectivity and efficiency of plasma-based conversion processes is strongly affected by nonequilibrium phenomena. High concentrations of vibrationally excited molecules are such a plasma-induced effect. It is frequently assumed that vibrationally excited molecules are important in plasma catalysis because their presence lowers the apparent activation energy of dissociative chemisorption reactions and thus increases the conversion rate. A detailed atomic-level understanding of vibrationally stimulated catalytic reactions in the context of plasma catalysis is however lacking. Here, we couple a recently developed statistical model of a plasma-induced vibrational nonequilibrium to molecular dynamics simulations, enhanced sampling methods, and machine learning techniques. We quantify the impact of a vibrational nonequilibrium on the dissociative chemisorption barrier of H2 and CH4 on nickel catalysts over a wide range of vibrational temperatures. We investigate the effect of surface structure and compare the role of different vibrational modes of methane in the dissociation process. For low vibrational temperatures, very high vibrational efficacies are found, and energy in bend vibrations appears to dominate the dissociation of methane. The relative impact of vibrational nonequilibrium is much higher on terrace sites than on surface steps. We then show how our simulations can help to interpret recent experimental results, and suggest new paths to a better understanding of plasma catalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000674464100001 Publication Date 2021-09-30  
  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 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, 12ZI420N ; K M B was funded as a junior postdoctoral fellow of the FWO (Research Foundation—Flanders), Grant 12ZI420N. 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 FWO and the Flemish Government. HLDA calculations were performed with a script provided by G Piccini. Approved (down) Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @c:irua:179830 Serial 6808  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Hieu, N.N.; Ghergherehchi, M.; Feghhi, S.A.H.; Gogova, D. pdf  url
doi  openurl
  Title Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 39 Pages 395103  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000674464700001 Publication Date 2021-07-06  
  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 Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:179863 Serial 7014  
Permanent link to this record
 

 
Author Terzano, R.; Spagnuolo, M.; Medici, L.; Tateo, F.; Vekemans, B.; Janssens, K.; Ruggiero, P. doi  openurl
  Title Spectroscopic investigation on the chemical forms of Cu during the synthesis of zeolite X at low temperature Type A1 Journal article
  Year 2006 Publication Applied geochemistry Abbreviated Journal Appl Geochem  
  Volume 21 Issue 6 Pages 993-1005  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000238827500010 Publication Date 2006-05-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0883-2927 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.581 Times cited 15 Open Access  
  Notes Approved (down) Most recent IF: 2.581; 2006 IF: 1.866  
  Call Number UA @ admin @ c:irua:59636 Serial 5841  
Permanent link to this record
 

 
Author Meul, M.; Van Middelaar, C.E.; de Boer, I.J.M.; Van Passel, S.; Fremaut, D.; Haesaert, G. doi  openurl
  Title Potential of life cycle assessment to support environmental decision making at commercial dairy farms Type A1 Journal article
  Year 2014 Publication Agricultural Systems Abbreviated Journal Agr Syst  
  Volume 131 Issue Pages 105-115  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract In this paper, we evaluate the potential of life cycle assessment (LCA) to support environmental decision making at commercial dairy farms. To achieve this, we follow a four-step method that allows converting environmental assessment results using LCA into case-specific advice for farmers. This is illustrated in a case-study involving 20 specialized Flemish dairy farms. Calculated LCA indicators are normalized into scores between 0 and 100, whereby a score of 100 is assumed optimal, to allow for a mutual comparison of indicators for different environmental impact categories. Next, major farm and management characteristics affecting environmental performance are identified using multiple regression and correlation analyses. Finally, comparing specific farm and management characteristics with those of best performing farms identifies farm-specific optimization strategies. We conclude that this approach complies with most of the identified critical success factors for the successful implementation of LCA as a decision support system for farmers. Key aspects herein are (i) the flexibility and accessibility of the model, (ii) the use of readily available farm data, (iii) farm advisors being intended model users, (iv) the identification of key farm and management characteristics affecting environmental performance and (v) the organization of discussion sessions involving farmers and farm advisors. However, attention should be paid (i) to provide sufficient training and guidance for farm advisors on the use of the applied LCA model and the interpretation of results, (ii) to evaluate the correctness of the used data and (iii) to keep the model up-to-date according to new scientific insights and knowledge concerning LCA methodology. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000343955300011 Publication Date 2014-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.571 Times cited 25 Open Access  
  Notes ; ; Approved (down) Most recent IF: 2.571; 2014 IF: 2.906  
  Call Number UA @ admin @ c:irua:127540 Serial 6238  
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