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Author Cidu, R.; Fanfani, L.; Shaud, P.; Edmunds, W.M.; Van 't dack, L.; Gijbels, R.
Title Determination of gold at the ultratrace level in natural waters Type A1 Journal article
Year 1994 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 296 Issue Pages 295-304
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 A1994PM14000010 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.513 Times cited 20 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10252 Serial 668
Permanent link to this record
 
 
Author Struyf, H.; van Roy, W.; van Vaeck, L.; van Grieken, R.; Gijbels, R.; Caravatti, P.
Title Laser microprobe Fourier transform mass spectrometer with external ion source for organic and inorganic microanalysis Type A1 Journal article
Year 1993 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 283 Issue Pages 139-151
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993MK02800013 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.513 Times cited 17 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6141 Serial 1793
Permanent link to this record
 
 
Author Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P.
Title Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents Type A1 Journal article
Year 2023 Publication Waste and biomass valorization Abbreviated Journal
Volume Issue Pages 1-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] .
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001117290800003 Publication Date 2023-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1877-2641; 1877-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes Approved Most recent IF: 3.2; 2023 IF: 1.337
Call Number UA @ admin @ c:irua:202709 Serial 9005
Permanent link to this record
 
 
Author van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
Title Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport Type A1 Journal article
Year 2016 Publication Nano Research Abbreviated Journal Nano Res
Volume 9 Issue 9 Pages 3394-3406
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000386770300018 Publication Date 2016-08-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 2 Open Access
Notes Approved Most recent IF: 7.354
Call Number UA @ lucian @ c:irua:138210 Serial 4469
Permanent link to this record
 
 
Author Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A.
Title Vibrational properties of silicene and germanene Type A1 Journal article
Year 2013 Publication Nano Research Abbreviated Journal Nano Res
Volume 6 Issue 1 Pages 19-28
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313658800003 Publication Date 2012-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1998-0124;1998-0000; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 105 Open Access
Notes Approved Most recent IF: 7.354; 2013 IF: 6.963
Call Number UA @ lucian @ c:irua:110106 Serial 3846
Permanent link to this record
 
 
Author Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
Title Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 Type A1 Journal article
Year 2012 Publication Nano Research Abbreviated Journal Nano Res
Volume 5 Issue 1 Pages 43-48
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299085200006 Publication Date 2011-11-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1998-0124;1998-0000; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.354 Times cited 407 Open Access
Notes Approved Most recent IF: 7.354; 2012 IF: 7.392
Call Number UA @ lucian @ c:irua:96262 Serial 3169
Permanent link to this record
 
 
Author Neyts, E.C.
Title Special Issue on future directions in plasma nanoscience Type Editorial
Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
Volume 13 Issue 2 Pages 199-200
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000468848400001 Publication Date 2019-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.712 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 1.712
Call Number UA @ admin @ c:irua:160277 Serial 5280
Permanent link to this record
 
 
Author Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E.
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 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 Neyts, E.C.
Title Atomistic simulations of plasma catalytic processes Type A1 Journal article
Year 2018 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
Volume 12 Issue 1 Pages 145-154
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000425156500017 Publication Date 2017-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.712 Times cited 5 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.712
Call Number UA @ lucian @ c:irua:149233 Serial 4927
Permanent link to this record
 
 
Author Neyts, E.C.
Title The role of ions in plasma catalytic carbon nanotube growth : a review Type A1 Journal article
Year 2015 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
Volume 9 Issue 9 Pages 154-162
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract While it is well-known that the plasma-enhanced catalytic chemical vapor deposition (PECVD) of carbon nanotubes (CNTs) offers a number of advantages over thermal CVD, the influence of the various individual contributing factors is not well understood. Especially the role of ions is unclear, since ions in plasmas are generally associated with sputtering rather than with growing a material. Even so, various studies have demonstrated the beneficial effects of ion bombardment during the growth of CNTs. This review looks at the role of the ions in plasma-enhanced CNT growth as deduced from both experimental and simulation studies. Specific attention is paid to the beneficial effects of ion bombardment. Based on the available literature, it can be concluded that ions can be either beneficial or detrimental for carbon nanotube growth, depending on the exact conditions and the control over the growth process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000360319600003 Publication Date 2015-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.712 Times cited 8 Open Access
Notes Approved Most recent IF: 1.712; 2015 IF: NA
Call Number UA @ lucian @ c:irua:127815 Serial 4239
Permanent link to this record
 
 
Author Clima, S.; Belmonte, A.; Degraeve, R.; Fantini, A.; Goux, L.; Govoreanu, B.; Jurczak, M.; Ota, K.; Redolfi, A.; Kar, G.S.; Pourtois, G.
Title Kinetic and thermodynamic heterogeneity : an intrinsic source of variability in Cu-based RRAM memories Type A1 Journal article
Year 2017 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume 16 Issue 4 Pages 1011-1016
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract <script type='text/javascript'>document.write(unpmarked('The resistive random-access memory (RRAM) device concept is close to enabling the development of a new generation of non-volatile memories, provided that their reliability issues are properly understood. The design of a RRAM operating with extrinsic defects based on metallic inclusions, also called conductive bridge RAM, allows the use of a large spectrum of solid electrolytes. However, when scaled to device dimensions that meet the requirements of the latest technological nodes, the discrete nature of the atomic structure of the materials impacts the device operation. Using density functional theory simulations, we evaluated the migration kinetics of Cu conducting species in amorphous and solid electrolyte materials, and established that atomic disorder leads to a large variability in terms of defect stability and kinetic barriers. This variability has a significant impact on the filament resistance and its dynamics, as evidenced during the formation step of the resistive filament. Also, the atomic configuration of the formed filament can age/relax to another metastable atomic configuration, and lead to a modulation of the resistivity of the filament. All these observations are qualitatively explained on the basis of the computed statistical distributions of the defect stability and on the kinetic barriers encountered in RRAM materials.'));
Address
Corporate Author Thesis
Publisher Place of Publication Place of publication unknown Editor
Language Wos 000417598100004 Publication Date 2017-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 1.526
Call Number UA @ lucian @ c:irua:148569 Serial 4883
Permanent link to this record
 
 
Author Sorée, B.; Magnus, W.; Pourtois, G.
Title Analytical and self-consistent quantum mechanical model for a surrounding gate MOS nanowire operated in JFET mode Type A1 Journal article
Year 2008 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume 7 Issue 3 Pages 380-383
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We derive an analytical model for the electrostatics and the drive current in a silicon nanowire operating in JFET mode. We show that there exists a range of nanowire radii and doping densities for which the nanowire JFET satisfies reasonable device characteristics. For thin nanowires we have developed a self-consistent quantum mechanical model to obtain the electronic structure.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000208473800067 Publication Date 2008-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 70 Open Access
Notes Approved Most recent IF: 1.526; 2008 IF: NA
Call Number UA @ lucian @ c:irua:89504 Serial 107
Permanent link to this record
 
 
Author Ignatova, V.A.; Lebedev, O.I.; Wätjen, U.; van Vaeck, L.; van Landuyt, J.; Gijbels, R.; Adams, F.
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 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 Van 't dack, L.; Gijbels, R.; Walker, C.T.
Title Modern developments and applications in microbeam analysis: proceedings of the 10th Workshop of the European Microbeam Analysis Society (EMAS), Antwerp, Belgium, May 6-10, 2007 Type Editorial
Year 2008 Publication Microchimica acta Abbreviated Journal Microchim Acta
Volume 161 Issue 3/4 Pages 285-286
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000256175600001 Publication Date 2008-05-23
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 1 Open Access
Notes Approved Most recent IF: 4.58; 2008 IF: 1.910
Call Number UA @ lucian @ c:irua:69291 Serial 2157
Permanent link to this record
 
 
Author Bogaerts, A.; Grozeva, M.
Title Effect of helium/argon gas ratio in a He-Ar-Cu+ IR hollow-cathode discharge laser : modeling study and comparison with experiments Type A1 Journal article
Year 2003 Publication Applied physics B : lasers and optics Abbreviated Journal Appl Phys B-Lasers O
Volume 76 Issue 3 Pages 299-306
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The He-Ar-Cu+ IR laser operates in a hollow-cathode discharge, typically in a mixture of helium with a few-% Ar. The population inversion of the Cu+ ion levels, responsible for laser action, is attributed to asymmetric charge transfer between He+ ions and sputtered Cu atoms. The Ar gas is added to promote sputtering of the Cu cathode. In this paper, a hybrid modeling network consisting of several different models for the various plasma species present in a He-Ar-Cu hollow-cathode discharge is applied to investigate the effect of Ar concentration in the gas mixture on the discharge behavior, and to find the optimum He/Ar gas ratio for laser operation. It is found that the densities of electrons, Ar+ ions, Ar-m* metastable atoms, sputtered Cu atoms and Cu+ ions increase upon the addition of more Ar gas, whereas the densities of He+ ions, He-2(+) ions and He-m* metastable atoms drop considerably. The product of the calculated Cu atom and He+ ion densities, which determines the production rate of the upper laser levels, and hence probably also the laser output power, is found to reach a maximum around 1-5% Ar addition. This calculation result is compared to experimental measurements, and reasonable agreement has been reached.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000182758000017 Publication Date 2004-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0946-2171;1432-0649; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.696 Times cited 6 Open Access
Notes Approved Most recent IF: 1.696; 2003 IF: 2.012
Call Number UA @ lucian @ c:irua:104125 Serial 812
Permanent link to this record
 
 
Author Bogaerts, A.; Grozeva, M.
Title Axial non-uniformity of longitudinal hollow cathode discharges for laser applications: numerical modeling and comparison with experiments Type A1 Journal article
Year 2002 Publication Applied physics: B: photo-physics and laser chemistry Abbreviated Journal Appl Phys B-Lasers O
Volume 75 Issue Pages 731-738
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 000180587100019 Publication Date 2004-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0946-2171;1432-0649; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.696 Times cited 8 Open Access
Notes Approved Most recent IF: 1.696; 2002 IF: 2.080
Call Number UA @ lucian @ c:irua:44007 Serial 211
Permanent link to this record
 
 
Author Ignatova, V.A.; Möller, W.; Conard, T.; Vandervorst, W.; Gijbels, R.
Title Interpretation of TOF-SIMS depth profiles from ultrashallow high-k dielectric stacks assisted by hybrid collisional computer simulation Type A1 Journal article
Year 2005 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 81 Issue 1 Pages 71-77
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Heidelberg Editor
Language Wos 000228794000013 Publication Date 2005-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396;1432-0630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.455 Times cited 4 Open Access
Notes Approved Most recent IF: 1.455; 2005 IF: 1.990
Call Number UA @ lucian @ c:irua:60085 Serial 1711
Permanent link to this record
 
 
Author Robben, J.; Dufour, D.; Gijbels, R.
Title Design and development of a new program for data processing of mass spectra acquired by means of a high-resolution double-focusing glow-discharge mass spectrometer Type A1 Journal article
Year 2001 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
Volume 370 Issue Pages 663-670
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 000170115200033 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 2 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:37252 Serial 657
Permanent link to this record
 
 
Author Lenaerts, J.; Verlinden, G.; Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Geuens, I.
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 3 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:37251 Serial 2135
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title New developments and applications in GDMS Type A1 Journal article
Year 1999 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
Volume 364 Issue Pages 367-375
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 000081637500002 Publication Date 2002-08-25
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 17 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:24923 Serial 2311
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title Three-dimensional modeling of a direct current glow discharge in argon: is it better than one-dimensional modeling? Type A1 Journal article
Year 1997 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
Volume 359 Issue Pages 331-337
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 A1997YC02800005 Publication Date 2002-08-25
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 9 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19608 Serial 3654
Permanent link to this record
 
 
Author Gijbels, R.; Bogaerts, A.
Title Recent trends in solids mass spectrometry: GDMS and other methods Type A1 Journal article
Year 1997 Publication Fresenius' journal of analytical chemistry Abbreviated Journal Fresen J Anal Chem
Volume 359 Issue Pages 326-330
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 A1997YC02800004 Publication Date 2002-08-25
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 5 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19607 Serial 2841
Permanent link to this record
 
 
Author Martens, T.; Bogaerts, A.; Brok, W.; van Dijk, J.
Title Computer simulations of a dielectric barrier discharge used for analytical spectrometry Type A1 Journal article
Year 2007 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
Volume 388 Issue 8 Pages 1583-1594
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 000248373300005 Publication Date 2007-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-2642;1618-2650; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.431 Times cited 28 Open Access
Notes Approved Most recent IF: 3.431; 2007 IF: 2.867
Call Number UA @ lucian @ c:irua:65036 Serial 466
Permanent link to this record
 
 
Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
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Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number UA @ lucian @ c:irua:101139 Serial 2935
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Author Oleshko, V.; Volkov, V.; Gijbels, R.; Jacob, W.; Vargaftik, M.; Moiseev, I.; Van Tendeloo, G.
Title High-resolution electron microscopy and electron energy-loss spectroscopy of giant palladium clusters Type A1 Journal article
Year 1995 Publication Zeitschrift für Physik : D : atoms, molecules and clusters Abbreviated Journal
Volume 34 Issue Pages 283-291
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1995RY37000010 Publication Date 2005-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0178-7683;1434-6079; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 22 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12276 Serial 1444
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Author Adriaens, A.; Van 't dack, L.; Adams, F.; Gijbels, R.
Title A mass spectrometric study of the dissolution behavior of sanidine Type A1 Journal article
Year 1995 Publication Microchimica acta Abbreviated Journal Microchim Acta
Volume 120 Issue Pages 139-147
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Wien Editor
Language Wos A1995TH37000013 Publication Date 2005-02-26
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 3.741 Times cited 1 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10904 Serial 1953
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Author Vandelannoote, R.; Blommaert, W.; Gijbels, R.; van Grieken, R.
Title Analysis of geothermal waters by spark source mass spectrometry Type A3 Journal article
Year 1981 Publication Fresenius' Zeitschrift für analytische Chemie Abbreviated Journal
Volume 309 Issue 4 Pages 291-294
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Although the analysis of thermal water by spark-source mass spectrometry (SSMS) is rather timeconsuming, it allows the detection of about 20 elements of geochemical interest down to the ppb-level. A physical preconcentration is proposed in order to collect elements having quite different chemical properties, e.g. alkalis, transition elements, and elements occurring in anionic form. The relative sensitivity factors appear to be rather independent of the salt content of the graphite electrodes. Contrary to neutron activation analysis, SSMS has a quite uniform elemental sensitivity, and allows to determine elements for which neutron activation is not suitable, e.g. Sn and Pb. The precision of SSMS is however by a factor of about 2 worse than that obtained for neutron activation.
Address
Corporate Author Thesis
Publisher Place of Publication München Editor
Language Wos Publication Date 2004-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-1152;1618-2650; ISBN Additional Links UA library record
Impact Factor Times cited 8 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:116638 Serial 100
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS Type A1 Journal article
Year 1995 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc
Volume 169 Issue Pages 445-457
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995QD98400014 Publication Date 2002-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.482 Times cited 37 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12277 Serial 45
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Author Martin, J.M.L.; Francois; Gijbels, R.
Title The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods Type A1 Journal article
Year 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc
Volume 168 Issue 2 Pages 363-373
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1994PU60800015 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.482 Times cited 18 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:95414 Serial 3570
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