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Author Shazali, I.; Van 't dack, L.; Gijbels, R.
Title Determination of precious metals in ores and rocks by thermal neutron activation/\gamma-spectrometry after preconcentration by nickel sulphide fire assay and coprecipitation with tellurium Type A1 Journal article
Year 1987 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 196 Issue Pages 49-58
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The six platinum group elements (Ru, Rh, Pd, Os, Ir and Pt) can be determined in geological samples down to the μg kg−1 level, by using nickel sulphide fire assay and neutron activation of the residue ramaining after dissolution of the nickel sulphide button in concentrated hydrochloric acid. Losses for the platinum group elements during this dissolution step are usually insignificant, except when the elements are present at ultra-trace levels. The can be recovered from the filtrate by coprecipitation with tellerium. The latter approach also permits determination of silver, which is significantly lost in the hydrochloric acid treatment (recovery <98% instead of typically ≈ 10%). The coprecipitation with tellurium considerably improves the results for gold (recovery ≈ 95% instead of typically 75%).
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1987K058900006 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 49 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111403 Serial 670
Permanent link to this record
 

 
Author Blommaert, W.; Vandelannoote, R.; Van 't dack, L.; Gijbels, R.; van Grieken, R.
Title Relative evaluation of neutron activation, X-ray fluorescence and spark source mass spectrometry for multi-element analysis of geothermal waters Type A3 Journal article
Year 1980 Publication Journal of radioanalytical chemistry Abbreviated Journal
Volume 57 Issue Pages 382-400
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0134-0719 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:111432 Serial 2859
Permanent link to this record
 

 
Author Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; Gijbels, R.; van Grieken, R.
Title Statistical grouping and controlling factors of dissolved trace elements in a surface water system Type A3 Journal article
Year 1983 Publication Environmental technology letters Abbreviated Journal
Volume 4 Issue 8/9 Pages 363-376
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Sensitive multi‐element analytical techniques were applied to determine 24 dissolved trace components in 25 different water samples from a 10 km2 zone in Brittany, France. Correspondence factor and multiple regression analyses showed that the elements considered are influenced mainly by the presence of: Fe‐Mn oxide accumulations, a local poly‐metallic sulfide mineralization, and non‐mineralized host rocks, agricultural activity and abundant organic material in local swamps. Via these numerical techniques the location of the poly‐metallic ore body can be derived from the data set.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 2008-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-2060; ISBN Additional Links UA library record
Impact Factor Times cited 1 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number (up) UA @ lucian @ c:irua:111443 Serial 3157
Permanent link to this record
 

 
Author Blommaert, W.; Vandelannoote, R.; Sadurski, A.; Van 't dack, L.; Gijbels, R.
Title Trace-element geochemistry of thermal water percolating through a karstic environment in the region of Saint Ghislain (Belgium) Type A1 Journal article
Year 1983 Publication Journal of volcanology and geothermal research Abbreviated Journal J Volcanol Geoth Res
Volume 19 Issue 3/4 Pages 331-348
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Five geothermal waters from the Mons area (southern Belgium) have been studied: one natural hot spring at Stambruges, one stagnant warm water from the inclined tunnels at Baudour, and three thermal waters from the drillholes at St. Ghislain, Ghlin and Douvrain, originating from the carbonate/anhydrite-bearing Visean strata, at depths of ca. 2600, 1550 and 1300 m, respectively. Multielement chemical analysis of the filtered water and its suspended matter > 0.4 μm) was carried out by instrumental neutron activation. Temperature in depth, calculated using the silica (chalcedony) chemical geothermometer, ranged from 75 to 88°C, in good agreement with experimentally determined values. Na/K and Na/K/Ca geothermometers yieilded erratic results, as expected from the geological environment in the aquifer. From the analytical data it can be calculated that the thermal waters of St. Ghislain, Ghlin and Douvrain are not only saturated with respect to chalcedony, but also to anhydrite, calcite, fluorite, barite, strontianite, and possibly zinc silicate, iron (III) hydroxide or siderite, albite, microcline, gibbsite and kaolinite. They are oversaturated with respect to muscovite. Data are also presented for the other thermal waters, and a cold spring water (Claire Fontaine, Stambruges). The similar trace-element composition of the thermal waters can be explained by percolation of the water in the same distant recharge zone, from where it descends, becomes heated at depth and rises along collapse breccia, and locally (Baudour, Stambruges) along fissures. The uptake of higher amounts of Ca, Mg, Sr and sulfate in St. Ghislain and Ghlin, as compared to Douvrain and Baudour is correlated with the boundary between the non-dissolved and dissolved evaporitic zones. This boundary is situated between St. Ghislain and Douvrain, and is roughly parallel with the direction of the groundwater flow (WNW).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1983RY57700008 Publication Date 2003-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0377-0273; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.543 Times cited 2 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111444 Serial 3694
Permanent link to this record
 

 
Author Van 't dack, L.; Blommaert, W.; Vandelannoote, R.; Gijbels, R.; van Grieken, R.
Title Equilibrium constants for trace elements in natural waters Type A1 Journal article
Year 1983 Publication Reviews in analytical chemistry Abbreviated Journal
Volume 7 Issue Pages 297-401
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 Tel Aviv Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-752x ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111446 Serial 1078
Permanent link to this record
 

 
Author Vandelannoote, R.; Blommaert, W.; Sadurski, A.; Van 'T Dack, L.; Gijbels, R.; Van Grieken, R.; Bosch, B.; Leleu, M.; Rochon, J.; Sarcia, C.; Sureau, J.F.;
Title Trace-elemental anomalies in surface water near a small lead-zinc mineralization at Menez-Albot (Brittany, France) Type A1 Journal article
Year 1984 Publication Journal of geochemical exploration Abbreviated Journal J Geochem Explor
Volume 20 Issue 1 Pages 33-46
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Sensitive multi-element analysis techniques were applied to water samples collected in the vicinity of a small Zn-Pb-Cu sulfide mineralization in the region of Menez-Albot (Finistère, France). The variation of the trace-element content along a local stream shows the presence of the mineralization, mainly through a simultaneous positive anomaly in solution for a group of about 10 elements (e.g. Ni, Cu, Zn, As, Sb) which are connected with this type of mineralization. The anomaly decreases steeply due to the influx of swamp water rich in Fe, Mn and organic matter. The precipitation barrier is reflected in the stream sediment composition. Contamination from fertilizers was observed in some samples.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1984SF42900004 Publication Date 2003-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0375-6742; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.747 Times cited 4 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111449 Serial 3695
Permanent link to this record
 

 
Author Pentcheva, E.N.; Swenters, K.; Van 't dack, L.; Verlinden, J.; Gijbels, R.
Title Recherches microchimiques comparatives (SME et AAN) d'hydrothermes des granites de la Bulgarie du Sud Type A1 Journal article
Year 1984 Publication Doklady Bolgarskoi Akademii Nauk Abbreviated Journal
Volume 37 Issue Pages 509-512
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Sofia Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0366-8681 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:111477 Serial 2843
Permanent link to this record
 

 
Author Pentcheva, E.N.; Petrov, P.S.; Veldeman, E.; Van 't dack, L.; Gijbels, R.
Title Comportement hydrogéochimique des éléments traces au cours de l'interaction eau – roche en milieu alcalin Type A1 Journal article
Year 1990 Publication Doklady Bolgarskoi Akademii Nauk Abbreviated Journal
Volume 43 Issue 4 Pages 51-54
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Sofia Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0366-8681 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111478 Serial 439
Permanent link to this record
 

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

 
Author Yang, Z.; Geise, H.J.; Mehbod, M.; Debrue, G.; Visser, J.W.; Sonneveld, E.J.; Van 't dack, L.; Gijbels, R.
Title Conductivity and electron density of undoped model compounds of poly(phenylene vinylene) Type A1 Journal article
Year 1990 Publication Synthetic metals Abbreviated Journal Synthetic Met
Volume 39 Issue 2 Pages 137-151
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Fourteen derivatives of trans,trans-1,4-bis[2-phenylethenyl]benzene were synthesized by Wittig reactions as model compounds of poly(paraphenylene vinylene). Structure, configurational homogeneity and absence of ionic impurities were controlled by mass spectrometry, infrared and neutron activation analysis, respectively. Crystallographic unit cell parameters were obtained from X-ray powder patterns and measurements of electrical conductivities were performed on undoped samples. The data of four more compounds containing one or more thiophene rings instead of phenyl rings were added from the 3iterature. If NO2 and Cl groups are excluded from the electron count a good linear correlation is found between the logarithm of the conductivity and the non-σ electron density (View the MathML source). The position of the substituents, on the central or on the terminal ring, also plays a role in as much as it affects the molecular volume of the compound but not the non-σ electron density. The correlation between the logarithm of the conductivity and the absorption coefficient of the longest wavelength of UV absorption identifies the π electrons in the chromophore as the principal charge carriers.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos A1990EV12900001 Publication Date 2003-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-6779; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.252 Times cited 25 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111483 Serial 481
Permanent link to this record
 

 
Author Vandelannoote, R.; Van 't dack, L.; Gijbels, R.
Title Trace element and micro-mineral composition of some selected anhydrite samples from the Saint Ghislain drill hole (Hainaut, Belgium) Type A3 Journal article
Year 1986 Publication Bulletin van de Belgische Vereniging voor Geologie Abbreviated Journal
Volume 95 Issue Pages 101-109
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bruxelles Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-1807 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number (up) UA @ lucian @ c:irua:111504 Serial 3689
Permanent link to this record
 

 
Author Gijbels, R.; van Grieken, R.; Blommaert, W.; Vandelannoote, R.; Van 't dack, L.
Title Trace element geochemistry in thermal waters from Plombières and Bains (Vosges) Type P3 Proceeding
Year 1980 Publication Abbreviated Journal
Volume Issue Pages 396-409
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Reidel Place of Publication Dordrecht Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111508 Serial 3691
Permanent link to this record
 

 
Author Gijbels, R.; van Grieken, R.; Vandelannoote, R.; Blommaert, W.; Van 't dack, L.
Title Trace element geochemistry in thermal waters from Amélie-les-Bains (Eastern Pyrenees, France) Type P3 Proceeding
Year 1980 Publication Abbreviated Journal
Volume Issue Pages 123-126
Keywords P3 Proceeding; 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 S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111509 Serial 3690
Permanent link to this record
 

 
Author Beusen, J.-M.; Van 't dack, L.; Gijbels, R.
Title Interaction between rock-forming minerals and fluids under hydrothermal conditions : experiments with emphasis on the chemical composition of the minerals surface and on the trace element content of the aqueous phase Type P3 Proceeding
Year 1985 Publication Abbreviated Journal
Volume Issue Pages 310-317
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Reidel Place of Publication Dordrecht Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111510 Serial 1682
Permanent link to this record
 

 
Author Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; van Grieken, R.; Gijbels, R.
Title Multi-element trace analysis of geothermal waters : problems, characteristics and applicability Type P3 Proceeding
Year 1985 Publication Abbreviated Journal
Volume Issue Pages 523-527
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Chemie Place of Publication Heidelberg Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111511 Serial 2210
Permanent link to this record
 

 
Author Van 't dack, L.; Beusen, J.-M.; Claesson, T.; Vandelannoote, R.; van Grieken, R.; Gijbels, R.
Title Experimental weathering studies of igneous rocks (alkali-granite, granodiorite, gabbro and granite) and sedimentary gneiss under hydrothermal conditions Type P3 Proceeding
Year 1985 Publication Abbreviated Journal
Volume Issue Pages 363-368
Keywords P3 Proceeding; 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 S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:111512 Serial 1146
Permanent link to this record
 

 
Author Shazali, I.; Van 't dack, L.; Gijbels, R.
Title Preconcentration of precious metals by tellurium sulphide fire-assay followed by instrumental neutron activation analysis Type P3 Proceeding
Year 1988 Publication Abbreviated Journal
Volume Issue Pages 29-42
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Elsevier Place of Publication Barking Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:111513 Serial 2693
Permanent link to this record
 

 
Author Goossens, D.; Van 't dack, L.; Gijbels, R.
Title Ion microprobe analysis of rock-forming minerals from the Carnmenellis granite Type P3 Proceeding
Year 1989 Publication Abbreviated Journal
Volume Issue Pages
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:111514 Serial 1746
Permanent link to this record
 

 
Author Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B.
Title Modeling ultrashort laser-induced emission from a negatively biased metal Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 103 Issue 22 Pages 221603-221604
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A theoretical study of ultrashort laser-induced electron emission from a negatively biased metallic cathode has been performed. Classical as well as tunneling electron emission mechanisms are considered. It was found that electron emission is governed by an interplay of processes inside as well as above the cathode. A hybrid model is proposed, where the electron distribution within the target is retrieved from Boltzmann scattering integrals, while the charge distribution above it is studied by a Particle-In-Cell simulation. The results indicate that non-equilibrium effects determine the initial emission process, whereas the space charge above the target suppresses the effectively emitted charge.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000327696300020 Publication Date 2013-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 8 Open Access
Notes Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number (up) UA @ lucian @ c:irua:111815 Serial 2147
Permanent link to this record
 

 
Author Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J.
Title Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme Type A1 Journal article
Year 2013 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
Volume 14 Issue 13 Pages 2939-2946
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000324316000014 Publication Date 2013-07-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1439-4235; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.075 Times cited 9 Open Access
Notes Approved Most recent IF: 3.075; 2013 IF: 3.360
Call Number (up) UA @ lucian @ c:irua:112278 Serial 3923
Permanent link to this record
 

 
Author Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A.
Title Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine Type A1 Journal article
Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 47 Issue 2 Pages 025205-25209
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The application of atmospheric pressure plasmas in medicine is increasingly gaining attention in recent years, although very little is currently known about the plasma-induced processes occurring on the surface of living organisms. It is known that most bio-organisms, including bacteria, are coated by a liquid film surrounding them, and there might be many interactions between plasma species and the liquid layer before the plasma species reach the surface of the bio-organisms. Therefore, it is essential to study the behaviour of the reactive species in a liquid film, in order to determine whether these species can travel through this layer and reach the biomolecules, or whether new species are formed along the way. In this work, we investigate the interaction of reactive oxygen species (i.e. O, OH, HO2 and H2O2) with water, which is assumed as a simple model system for the liquid layer surrounding biomolecules. Our computational investigations show that OH, HO2 and H2O2 can travel deep into the liquid layer and are hence in principle able to reach the bio-organism. Furthermore, O, OH and HO2 radicals react with water molecules through hydrogen-abstraction reactions, whereas no H-abstraction reaction takes place in the case of H2O2. This study is important to gain insight into the fundamental operating mechanisms in plasma medicine, in general, and the interaction mechanisms of plasma species with a liquid film, in particular.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000329108000013 Publication Date 2013-12-13
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 51 Open Access
Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
Call Number (up) UA @ lucian @ c:irua:112286 Serial 2823
Permanent link to this record
 

 
Author Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C.
Title Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation Type A1 Journal article
Year 2013 Publication Carbon Abbreviated Journal Carbon
Volume 65 Issue Pages 269-276
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000326773200031 Publication Date 2013-08-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 21 Open Access
Notes Approved Most recent IF: 6.337; 2013 IF: 6.160
Call Number (up) UA @ lucian @ c:irua:112697 Serial 2635
Permanent link to this record
 

 
Author Shariat, M.; Shokri, B.; Neyts, E.C.
Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 590 Issue Pages 131-135
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000327721000024 Publication Date 2013-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.815 Times cited 14 Open Access
Notes Approved Most recent IF: 1.815; 2013 IF: 1.991
Call Number (up) UA @ lucian @ c:irua:112775 Serial 2439
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Author Aghaei, M.; Flamigni, L.; Lindner, H.; Günther, D.; Bogaerts, A.
Title Occurrence of gas flow rotational motion inside the ICP torch : a computational and experimental study Type A1 Journal article
Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 29 Issue 2 Pages 249-261
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract An inductively coupled plasma, connected to the sampling cone of a mass spectrometer, is computationally investigated. The occurrence of rotational motion of the auxiliary and carrier gas flows is studied. The effects of operating parameters, i.e., applied power and gas flow rates, as well as geometrical parameters, i.e., sampler orifice diameter and injector inlet diameter, are investigated. Our calculations predict that at higher applied power the auxiliary and carrier gas flows inside the torch move more forward to the sampling cone, which is validated experimentally for the auxiliary gas flow, by means of an Elan 6000 ICP-MS. Furthermore, an increase of the gas flow rates can also modify the occurrence of rotational motion. This is especially true for the carrier gas flow rate, which has a more pronounced effect to reduce the backward motion than the flow rates of the auxiliary and cooling gas. Moreover, a larger sampler orifice (e.g., 2 mm instead of 1 mm) reduces the backward flow of the auxiliary gas path lines. Finally, according to our model, an injector inlet of 2 mm diameter causes more rotations in the carrier gas flow than an injector inlet diameter of 1.5 mm, which can be avoided again by changing the operating parameters.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000329934000005 Publication Date 2013-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 21 Open Access
Notes Approved Most recent IF: 3.379; 2014 IF: 3.466
Call Number (up) UA @ lucian @ c:irua:112896 Serial 2427
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Author Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D.
Title Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis Type A1 Journal article
Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 29 Issue 2 Pages 262-271
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000329934000006 Publication Date 2013-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 18 Open Access
Notes Approved Most recent IF: 3.379; 2014 IF: 3.466
Call Number (up) UA @ lucian @ c:irua:112897 Serial 697
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Author Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.;
Title Theoretical aspects of graphene-like group IV semiconductors Type A1 Journal article
Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 291 Issue Pages 98-103
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000329327700022 Publication Date 2013-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited 20 Open Access
Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
Call Number (up) UA @ lucian @ c:irua:113765 Serial 3603
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Author van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
Title First-principles electronic functionalization of silicene and germanene by adatom chemisorption Type A1 Journal article
Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 291 Issue Pages 104-108
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000329327700023 Publication Date 2013-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited 32 Open Access
Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
Call Number (up) UA @ lucian @ c:irua:113766 Serial 1208
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Author Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.;
Title Vibrational properties of epitaxial silicene layers on (111) Ag Type A1 Journal article
Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 291 Issue Pages 113-117
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000329327700025 Publication Date 2013-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited 36 Open Access
Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
Call Number (up) UA @ lucian @ c:irua:113767 Serial 3843
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Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure Type A1 Journal article
Year 2014 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 154 Issue Pages 1-8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Methane reforming by plasma catalysis is a complex process that is far from understood. It requires a multidisciplinary approach which ideally takes into account all effects from the plasma on the catalyst, and vice versa. In this contribution, we focus on the interactions of CHx (x = {1,2,3}) radicals that are created in the plasma with several nickel catalyst surfaces. To this end, we perform reactive molecular dynamics simulations, based on the ReaxFF potential, in a wide temperature range of 4001600 K. First, we focus on the H2 formation as a function of temperature and surface structure. We observe that substantial H2 formation is obtained at 1400 K and above, while the role of the surface structure seems limited. Indeed, in the initial stage, the type of nickel surface influences the CH bond breaking efficiency of adsorbed radicals; however, the continuous carbon diffusion into the surface gradually diminishes the surface crystallinity and therefore reduces the effect of surface structure on the H2 formation probability. Furthermore, we have also investigated to what extent the species adsorbed on the catalyst surface can participate in surface reactions more in general, for the various surface structures and as a function of temperature. These results are part of the ongoing research on the methane reforming by plasma catalysis, a highly interesting yet complex alternative to conventional reforming processes.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000335098800001 Publication Date 2014-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 23 Open Access
Notes Approved Most recent IF: 9.446; 2014 IF: 7.435
Call Number (up) UA @ lucian @ c:irua:114607 Serial 1686
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Author Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 38 Pages 19442-19453
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330162500022 Publication Date 2013-08-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 6 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number (up) UA @ lucian @ c:irua:114855 Serial 170
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