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“Computer simulations of argon-hydrogen Grimm-type glow discharges”. Bogaerts A, Journal of analytical atomic spectrometry 23, 1476 (2008). http://doi.org/10.1039/b810599e
Abstract: Computer simulations have been performed to describe the effect of small admixtures of hydrogen to an argon glow discharge in the Grimm-type configuration. The two-dimensional density profiles of the various plasma species (i.e., electrons, Ar+, ArH+, H+, H2+ and H3+ ions, H atoms and H2 molecules, Ar metastable atoms and sputtered Cu atoms) are presented for 1% H2 added to the argon glow discharge, and the effect of different H2 additions (varying between 0.1 and 10%) on the species densities, the hydrogen dissociation degree, and the sputtering process, are investigated. Finally, the relative contributions of various production and loss processes for the different plasma species are calculated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 23
DOI: 10.1039/b810599e
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“Computer simulations of crater profiles in glow discharge optical emission spectrometry: comparison with experiments and investigation of the underlying mechanisms”. Bogaerts A, Verscharen W, Steers E, Spectrochimica acta: part B : atomic spectroscopy 59, 1403 (2004). http://doi.org/10.1016/j.sab.2004.06.005
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 14
DOI: 10.1016/j.sab.2004.06.005
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“Computer simulations of laser ablation sample introduction for plasma-source elemental microanalysis”. Bleiner D, Bogaerts A, Journal of analytical atomic spectrometry 21, 1161 (2006). http://doi.org/10.1039/b607627k
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 22
DOI: 10.1039/b607627k
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“Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine”. Neyts EC, Yusupov M, Verlackt CC, Bogaerts A, Journal of physics: D: applied physics 47, 293001 (2014). http://doi.org/10.1088/0022-3727/47/29/293001
Abstract: Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 28
DOI: 10.1088/0022-3727/47/29/293001
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“Computer simulations of sample chambers for laser ablation-inductively coupled plasma spectrometry”. Bleiner D, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 62, 155 (2007). http://doi.org/10.1016/j.sab.2007.02.010
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
DOI: 10.1016/j.sab.2007.02.010
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“Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference”. Compemolle S, Pourtois G, Sorée B, Magnus W, Chibotaru LF, Ceulemans A, Physical review : B : condensed matter and materials physics 77, 193406 (2008). http://doi.org/10.1103/PhysRevB.77.193406
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.77.193406
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“Conductivity and electron density of undoped model compounds of poly(phenylene vinylene)”. Yang Z, Geise HJ, Mehbod M, Debrue G, Visser JW, Sonneveld EJ, Van 't dack L, Gijbels R, Synthetic metals 39, 137 (1990). http://doi.org/10.1016/0379-6779(90)90179-O
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.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.252
Times cited: 25
DOI: 10.1016/0379-6779(90)90179-O
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“Corrélations chimiques-géothermométriques des paramètres microchimiques des hydrothermes profonds”. Pentcheva E, Van 't dack L, Veldeman E, Gijbels R, Comptes rendus de l'Académie bulgare des sciences 49, 61 (1996)
Keywords: A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Correlations géothermométriques des éléments-traces des hydrothermes de terrains granitiques (Bulgarie Méridionale)”. Pentcheva EN, Van 't dack L, Veldeman E, Gijbels R, Doklady na Balgarskata Akademija na Naukite 44, 85 (1992)
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Cryo-electron spectroscopic imaging, electron energy-loss spectroscopy and energy-dispersive X-ray analysis of Ag(Br,I) nano- and microcrystals”. Oleshko V, Gijbels R, Jacob W, van Daele A, Mikrochimica acta: supplementum 15, 87 (1998)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Cryogenic etching of silicon with SF6 inductively coupled plasmas: a combined modelling and experimental study”. Tinck S, Tillocher T, Dussart R, Bogaerts A, Journal of physics: D: applied physics 48, 155204 (2015). http://doi.org/10.1088/0022-3727/48/15/155204
Abstract: A hybrid Monte Carlofluid model is applied to simulate the wafer-temperature-dependent etching of silicon with SF6 inductively coupled plasmas (ICP). The bulk plasma within the ICP reactor volume as well as the surface reactions occurring at the wafer are self-consistently described. The calculated etch rates are validated by experiments. The calculations and experiments are performed at two different wafer temperatures, i.e. 300 and 173 K, resembling conventional etching and cryoetching, respectively. In the case of cryoetching, a physisorbed SFx layer (x = 06) is formed on the wafer, which is negligible at room temperature, because of fast thermal desorption, However, even in the case of cryoetching, this layer can easily be disintegrated by low-energy ions, so it does not affect the etch rates. In the investigated pressure range of 19 Pa, the etch rate is always slightly higher at cryogenic conditions, both in the experiments and in the model, and this could be explained in the model due to a local cooling of the gas above the wafer, making the gas denser and increasing the flux of reactive neutrals, like F and F2, towards the wafer.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 9
DOI: 10.1088/0022-3727/48/15/155204
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“Current-voltage characteristics of armchair Sn nanoribbons”. van den Broek B, Houssa M, Pourtois G, Afanas'ev VV, Stesmans A, Physica status solidi: rapid research letters 8, 931 (2014). http://doi.org/10.1002/pssr.201400073
Abstract: Two-dimensional group-IV lattices silicene and germanene are known to share many of graphene's remarkable mechanical and electronic properties. Due to the out-of-plane buckling of the former materials, there are more means of electronic funtionalization, e.g. by applying uniaxial strain or an out-of-plane electric field. We consider monolayer hexagonal Sn (stanene) as an ideal candidate to feasibly implement and exploit graphene physics for nanoelectronic applications: with increased out-of-plane buckling and sizable spin-orbit coupling it lends itself to improved Dirac cone engineering. We investigate the ballistic charge transport regime of armchair Sn nanoribbons, classified according to the ribbon width W = {3m – 1, 3m, 3m + 1} with integer m. We study transport through (non-magnetic) armchair ribbons using a combination of density functional theory and non-equilibrium Green's functions. Sn ribbons have earlier current onsets and carry currents 20% larger than C/Si/Ge-nanoribbons as the contact resistance of these ribbons is found to be comparable. ((c) 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.032
Times cited: 9
DOI: 10.1002/pssr.201400073
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“The dawn of surface analysis that stands by the side users: ultra-thin film analysis by rf-GDOES”. Shimizu K, Habazaki H, Bender H, Gijbels R, Engineering materials 52, 97 (2004)
Keywords: A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Defect healing and enhanced nucleation of carbon nanotubes by low-energy ion bombardment”. Neyts EC, Ostrikov K, Han ZJ, Kumar S, van Duin ACT, Bogaerts A, Physical review letters 110, 065501 (2013). http://doi.org/10.1103/PhysRevLett.110.065501
Abstract: Structural defects inevitably appear during the nucleation event that determines the structure and properties of single-walled carbon nanotubes. By combining ion bombardment experiments with atomistic simulations we reveal that ion bombardment in a suitable energy range allows these defects to be healed resulting in an enhanced nucleation of the carbon nanotube cap. The enhanced growth of the nanotube cap is explained by a nonthermal ion-induced graphene network restructuring mechanism.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 8.462
Times cited: 50
DOI: 10.1103/PhysRevLett.110.065501
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“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”. Neyts E, Bogaerts A, van de Sanden MCM, Journal of physics: D: applied physics 39, 1948 (2006). http://doi.org/10.1088/0022-3727/39/9/034
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 3
DOI: 10.1088/0022-3727/39/9/034
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“A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation”. Neyts E, Maeyens A, Pourtois G, Bogaerts A, Carbon 49, 1013 (2011). http://doi.org/10.1016/j.carbon.2010.11.009
Abstract: Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.337
Times cited: 13
DOI: 10.1016/j.carbon.2010.11.009
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“Depth profiling of ZrO2/SiO2/Si stacks : a TOF-SIMS and computer simulation study”. Ignatova VA, Conard T, Möller W, Vandervorst W, Gijbels R, Applied surface science 231/232, 603 (2004). http://doi.org/10.1016/j.apsusc.2004.03.121
Abstract: This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 4
DOI: 10.1016/j.apsusc.2004.03.121
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“Description of the argon-excited levels in a radio-frequency and direct current glow discharge”. Bogaerts A, Gijbels R, Spectrochimica acta: part B : atomic spectroscopy 55, 263 (2000). http://doi.org/10.1016/S0584-8547(00)00143-9
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 24
DOI: 10.1016/S0584-8547(00)00143-9
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“Description of the plasma chemistry in an atmospheric pressure CH4 dielectric barrier discharge using a two dimensional fluid model”. De Bie C, Martens T, van Dijk J, van der Mullen JJAM, Bogaerts A, , 13 (2009)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Design analysis of a laser ablation cell for inductively coupled plasma mass spectrometry by numerical simulation”. Autrique D, Bogaerts A, Lindner H, Garcia CC, Niemax K, Spectrochimica acta: part B : atomic spectroscopy 63, 257 (2008). http://doi.org/10.1016/j.sab.2007.11.032
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 26
DOI: 10.1016/j.sab.2007.11.032
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“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”. Robben J, Dufour D, Gijbels R, Fresenius' journal of analytical chemistry 370, 663 (2001). http://doi.org/10.1007/s002160100881
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 2
DOI: 10.1007/s002160100881
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“Desorption-ionization of organic compounds studied by Fourier transform laser microprobe mass spectrometry”. van Roy W, Struyf H, van Vaeck L, Gijbels R, Caravatti P, Rapid communications in mass spectrometry 8, 40 (1994). http://doi.org/10.1002/rcm.1290080108
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.253
Times cited: 5
DOI: 10.1002/rcm.1290080108
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“Detailed modeling of hydrocarbon nanoparticle nucleation in acetylene discharges”. de Bleecker K, Bogaerts A, Goedheer W, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 73, 026405 (2006). http://doi.org/10.1103/PhysRevE.73.026405
Abstract: The initial stage of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas is investigated by means of a self-consistent one-dimensional fluid model. A detailed chemical kinetic scheme, containing electron impact, ion-neutral, and neutral-neutral reactions, has been developed in order to predict the underlying dust growth mechanisms and the most important dust precursors. The model considers 41 different species (neutrals, radicals, ions, and electrons) describing hydrocarbons (CnHm) containing up to 12 carbon atoms. Possible routes for particle growth are discussed. Both positive and negative ion reaction pathways are considered, as consecutive anion- and cation-molecule reactions seem to lead to a fast build up of the carbon skeleton.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 89
DOI: 10.1103/PhysRevE.73.026405
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“Detailed numerical investigation of a DC sputter magnetron”. Kolev I, Bogaerts A, IEEE transactions on plasma science 34, 886 (2006). http://doi.org/10.1109/TPS.2006.875843
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.052
Times cited: 28
DOI: 10.1109/TPS.2006.875843
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“Determination of gold at the ultratrace level in natural waters”. Cidu R, Fanfani L, Shaud P, Edmunds WM, Van 't dack L, Gijbels R, Analytica chimica acta 296, 295 (1994). http://doi.org/10.1016/0003-2670(94)80249-1
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.513
Times cited: 20
DOI: 10.1016/0003-2670(94)80249-1
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van Grieken R, Gijbels R, Speecke A, Hoste J (1971) Determination of oxygen, silicon, phosphorus and copper in iron and steel by 14 MeV neutron activation analysis. S.l
Keywords: MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“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”. Shazali I, Van 't dack L, Gijbels R, Analytica chimica acta 196, 49 (1987). http://doi.org/10.1016/S0003-2670(00)83069-X
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%).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.513
Times cited: 49
DOI: 10.1016/S0003-2670(00)83069-X
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“Determination of scandium in high-purity titanium using inductively coupled plasma mass spectrometry and glow discharge mass spectrometry as part of its certification as a reference material”. Held A, Taylor P, Ingelbrecht C, de Bièvre P, Broekaert J, van Straaten M, Gijbels R, Journal of analytical atomic spectrometry 10, 849 (1995). http://doi.org/10.1039/ja9951000849
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.466
Times cited: 6
DOI: 10.1039/ja9951000849
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“Determination of silicon in natural and pollution aerosols by 14-MeV neutron activation analysis”. Gijbels R, Dams R, Analytica chimica acta 63, 369 (1973). http://doi.org/10.1016/S0003-2670(01)82362-X
Abstract: The determination of silicon via the 28Si(n,p)28 Al reaction by means of 14-MeV neutrons is applied to the analysis of pollution and natural aerosols. A Whatman 41 filter (40 cm2) on which airborne particulate material has been collected is compressed into a 3 × 12.7 mm pellet. Standards are prepared in the same way from clean filters spiked with a silicate solution. After a 50-s irradiation and a 75-s decay time, the sample is counted for 2 min with 5 × 5 NaI(Tl) well detector. The 1.779-MeV photopeak of 28Al is measured with a single channel sealer chain or with a multichannel analyser. The reproducibility, sensitivity and liability to interference from other elements were investigated for both counting systems. The homogeneity of the pellets and the filters was checked. The overall precision of one single-channel determination was estimated to be 3.5% after a 24-h high-volume sampling time. Samples collected in urban, industrial and remote areas with concentrations ranging from 0.05 to 15 μg Si m-3 air were analysed and the results are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.513
Times cited: 16
DOI: 10.1016/S0003-2670(01)82362-X
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“The determination of silicon in steel by 14-mev neutron activation analysis”. van Grieken R, Gijbels R, Speecke A, Hoste J, Analytica chimica acta 43, 199 (1968). http://doi.org/10.1016/S0003-2670(00)89208-9
Abstract: A fast (25 min) non-destructive determination of silicon in steel by 14-MeV neutron activation is described. The 1.78-MeV 28Al activity, induced by the reaction 28Si(n,p)28Al, is counted on a NaI(Tl) detector. An oxygen flux monitor is used to normalise to the same neutron flux. Two methods are described to correct for the 56Mn activity (2.58 h), induced into the iron matrix via 56Fe(n,p)56Mn. Nuclear interferences of phosphorus and aluminium have been examined. Special attention has been paid to stainless steels. A sensitivity of 0.02 to 0.05% of silicon is obtained. The precision is 2 to 3% for steels containing above 1% silicon, and 7% for 0.1% of silicon.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 4.513
Times cited: 19
DOI: 10.1016/S0003-2670(00)89208-9
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