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“Investigation of properties limiting efficiency in Cu2ZnSnSe4-based solar cells”. Brammertz G, Oueslati S, Buffiere M, Bekaert J, El Anzeery H, Messaoud KB, Sahayaraj S, Nuytten T, Koble C, Meuris M, Poortmans J;, IEEE journal of photovoltaics 5, 649 (2015). http://doi.org/10.1109/JPHOTOV.2014.2376053
Abstract: We have investigated different nonidealities in Cu2ZnSnSe4CdSZnO solar cells with 9.7% conversion efficiency, in order to determine what is limiting the efficiency of these devices. Several nonidealities could be observed. A barrier of about 300 meV is present for electron flow at the absorberbuffer heterojunction leading to a strong crossover behavior between dark and illuminated currentvoltage curves. In addition, a barrier of about 130 meV is present at the Moabsorber contact, which could be reduced to 15 meV by inclusion of a TiN interlayer. Admittance spectroscopy results on the devices with the TiN backside contact show a defect level with an activation energy of 170 meV. Using all parameters extracted by the different characterization methods for simulations of the two-diode model including injection and recombination currents, we come to the conclusion that our devices are limited by the large recombination current in the depletion region. Potential fluctuations are present in the devices as well, but they do not seem to have a special degrading effect on the devices, besides a probable reduction in minority carrier lifetime through enhanced recombination through the band tail defects.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 3.712
Times cited: 13
DOI: 10.1109/JPHOTOV.2014.2376053
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“Chemical characterization of neo-ceramic powders by time-of-flight and Fourier transform laser microprobe mass spectrometry”. Struyf H, van Vaeck L, Kennis P, Gijbels R, van Grieken R, Rapid communications in mass spectrometry 10, 699 (1996). http://doi.org/10.1002/(SICI)1097-0231(199604)10:6<699::AID-RCM521>3.0.CO;2-8
Abstract: Laser microprobe mass spectrometry (LMMS) aims at the identification of local organic and inorganic constituents at the surface of solids, The low mass resolution capabilities of the initially used time-of-flight (TOF) mass spectrometers have often proved to be insufficient for identification, Therefore, high mass resolution Fourier transform (ET) LMMS was developed, Neo-ceramic powders with oxide or carbide coatings were analyzed by both FT LMMS and TOF LMMS, The data are useful to compare the analytical information gained from both methods, Analytical results of these samples by electron microprobe x-ray analysis (EPXMA) and secondary ion mass spectrometry (SIMS) are discussed to assess the place of FT LMMS and TOF LMMS in the spectrum of microanalytical techniques.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.253
Times cited: 11
DOI: 10.1002/(SICI)1097-0231(199604)10:6<699::AID-RCM521>3.0.CO;2-8
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“Desorption-ionization of inorganic compounds in Fourier transform laser microprobe mass spectrometry with external ion source”. Struyf H, Van Vaeck L, Van Grieken R, Rapid communications in mass spectrometry 10, 551 (1996). http://doi.org/10.1002/(SICI)1097-0231(19960331)10:5<551::AID-RCM414>3.0.CO;2-S
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/(SICI)1097-0231(19960331)10:5<551::AID-RCM414>3.0.CO;2-S
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“Introducing four new members of the editorial board of X-ray spectrometry”. Van Grieken R, X-ray spectrometry 44, 1 (2015). http://doi.org/10.1002/XRS.2577
Keywords: Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2577
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“Composition of aerosols over the Laptev, the Kara, the Barents, the Greenland and the Norwegian seas”. Shevchenko VP, Lisitzin AP, Kuptzov VM, Ivanov GI, Lukashin VN, Martin JM, Rusakov VY, Safarova SA, Serova VV, Van Grieken R, van Malderen H page 7 (1995).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“IDAS: a new Windows based software for multivariate analysis of atmospheric aerosol composition data bases”. Bondarenko I, Treiger B, Van Grieken R, van Espen P page 308 (1995).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
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“Assessment of local analysis by Fourier transform laser microprobe mass spectrometry with external ion source”. van Roy W, Struyf H, Kennis P, Van Vaeck L, Van Grieken R, Andrle C, Microchimica acta 120, 121 (1995). http://doi.org/10.1007/BF01244426
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/BF01244426
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“Elucidating the composition of atmospheric aerosols through the combined hierarchical, non-hierarchical and fuzzy clustering of large electron probe microanalysis data sets”. Treiger B, Bondarenko I, van Malderen H, Van Grieken R, Analytica chimica acta 317, 33 (1995). http://doi.org/10.1016/0003-2670(95)00405-X
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0003-2670(95)00405-X
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“Electromagnetic effects in high-frequency large-area capacitive discharges : a review”. Liu Y-X, Zhang Y-R, Bogaerts A, Wang Y-N, Journal of vacuum science and technology: A: vacuum surfaces and films 33, 020801 (2015). http://doi.org/10.1116/1.4907926
Abstract: In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength k in the plasma becomes comparable to the electrode radius, and the plasma skin depth d becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwells equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.374
Times cited: 10
DOI: 10.1116/1.4907926
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“Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study”. Yusupov M, Neyts EC, Verlackt CC, Khalilov U, van Duin ACT, Bogaerts A, Plasma processes and polymers 12, 162 (2015). http://doi.org/10.1002/ppap.201400064
Abstract: Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 18
DOI: 10.1002/ppap.201400064
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“Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis”. Peerenboom K, Parente A, Kozák T, Bogaerts A, Degrez G, Plasma sources science and technology 24, 025004 (2015). http://doi.org/10.1088/0963-0252/24/2/025004
Abstract: The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 11
DOI: 10.1088/0963-0252/24/2/025004
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“Comparison between direct current and radiofrequency glow discharge mass spectrometry for the analysis of oxide-based samples”. de Gendt S, Van Grieken R, Hang W, Harrison WW, Journal of analytical atomic spectrometry 10, 689 (1995). http://doi.org/10.1039/JA9951000689
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/JA9951000689
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“Quantitative analysis of iron-rich and other oxide-based samples by means of glow discharge mass spectrometry”. de Gendt S, Schelles W, Van Grieken R, Müller V, Journal of analytical atomic spectrometry 10, 681 (1995). http://doi.org/10.1039/JA9951000681
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/JA9951000681
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“Evaluation of secondary cathodes for glow discharge mass spectrometry analysis of different nonconducting sample types”. Schelles W, de Gendt S, Müller V, Van Grieken R, Applied spectroscopy 49, 939 (1995). http://doi.org/10.1366/0003702953964741
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1366/0003702953964741
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“Suspended matter in run-off water from limestone exposure setups”. Vleugels G, Van Grieken R, The science of the total environment 170, 125 (1995). http://doi.org/10.1016/0048-9697(95)04611-4
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0048-9697(95)04611-4
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“Atmospheric concentrations and deposition of heavy metals over the North Sea: a literature review”. Injuk J, Van Grieken R, Journal of atmospheric chemistry 20, 179 (1995). http://doi.org/10.1007/BF00696557
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/BF00696557
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“The elemental chemistry of sediments in the Nainital lake, Kumaun Himalaya, India”. Das BK, Singh M, Van Grieken R, The science of the total environment 168, 85 (1995). http://doi.org/10.1016/0048-9697(95)04242-S
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0048-9697(95)04242-S
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“Organic and inorganic compounds in limestone weathering crusts from cathedrals in Southern and Western Europe”. Fobe BO, Vleugels GJ, Roekens EJ, Van Grieken RE, Hermosin B, Ortega-Calvo JJ, Sanchez del Junco A, Saiz-Jimenez C, Environmental science and technology 29, 1691 (1995). http://doi.org/10.1021/ES00006A038
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/ES00006A038
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“Weathering of Leinster granite under ambient atmospheric conditions”. Sweevers E, Peeters A, Van Grieken R, The science of the total environment 167, 73 (1995). http://doi.org/10.1016/0048-9697(95)04571-H
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0048-9697(95)04571-H
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“Physico-chemical fate of chromium compounds in the lung sheep model”. Perrault G, Dufresne A, Strati G, McNeil M, Michaud D, Baril M, Bégin R, Labbé, J, Larivière P, Eeckhaoudt S, Van Grieken R, Journal of toxicology and environmental health 44, 247 (1995). http://doi.org/10.1080/15287399509531958
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/15287399509531958
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“Recent advances in the analysis of individual environmental particles: a review”. Jambers W, de Bock L, Van Grieken R, The analyst 120, 681 (1995). http://doi.org/10.1039/AN9952000681
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/AN9952000681
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“Parameter evaluation for the analysis of oxide-based samples with radio ferquency glow discharge mass spectrometry”. de Gendt S, Van Grieken RE, Ohorodnik SK, Harrison WW, Analytical chemistry 67, 1026 (1995). http://doi.org/10.1021/AC00102A002
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC00102A002
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“Microanalytical study of the aluminum distribution in bullhead (Ictalurus nebulosus gills”. Eeckhaoudt S, Jacob W, Van Grieken R, Landsberg J, Watt F, Witters H, Microbeam analysis 4, 103 (1995)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical”. Cai ZL, Martin JML, François JP, Gijbels R, Chemical physics letters 252, 398 (1996). http://doi.org/10.1016/0009-2614(96)00183-2
Abstract: The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 28
DOI: 10.1016/0009-2614(96)00183-2
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“The role of the VZn-NO-H complex in the p-type conductivity in ZnO”. Amini MN, Saniz R, Lamoen D, Partoens B, Physical chemistry, chemical physics 17, 5485 (2015). http://doi.org/10.1039/c4cp05894a
Abstract: Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 20
DOI: 10.1039/c4cp05894a
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“Accurate ab initio quartic force fields and thermochemistry of FNO and CINO”. Martin JML, François JP, Gijbels R, The journal of physical chemistry 98, 11394 (1994). http://doi.org/10.1021/j100095a022
Abstract: The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 21
DOI: 10.1021/j100095a022
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“CO2-CH4 conversion and syngas formation at atmospheric pressure using a multi-electrode dielectric barrier discharge”. Ozkan A, Dufour T, Arnoult G, De Keyzer P, Bogaerts A, Reniers F, Journal of CO2 utilization 9, 74 (2015). http://doi.org/10.1016/j.jcou.2015.01.002
Abstract: The conversion of CO2 and CH4 into value-added chemicals is studied in a new geometry of a dielectric barrier discharge (DBD) with multi-electrodes, dedicated to the treatment of high gas flow rates. Gas chromatography is used to define the CO2 and CH4 conversion as well as the yields of the products of decomposition (CO, O2 and H2) and of recombination (C2H4, C2H6 and CH2O). The influence of three parameters is investigated on the conversion: the CO2 and CH4 flow rates, the plasma power and the nature of the carrier gas (argon or helium). The energy efficiency of the CO2 conversion is estimated and compared with those of similar atmospheric plasma sources. Our DBD reactor shows a good compromise between a good energy efficiency and the treatment of a large CO2 flow rate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.292
Times cited: 57
DOI: 10.1016/j.jcou.2015.01.002
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“Effect of interface evolution on thermal conductivity of vacuum hot pressed SiC/Al composites”. Chen Z, Tan Z, Ji G, Schryvers D, Ouyang Q, Li Z, Advanced engineering materials 17, 1076 (2015). http://doi.org/10.1002/adem.201400412
Abstract: The SiC/Al composites have been fabricated by a vacuum hot pressing (VHP) process in order to study the effect of interface evolution on the global thermal conductivity (TC). By optimizing the VHP parameters of sintering temperature and time, the three different kinds of SiC/Al interface configurations, that is, non-bonded, diffusion-bonded, and reaction-bonded interfaces, are formed and identified by measurement of relative density, X-ray diffraction, scanning and (high-resolution) transmission electron microscopy. The VHPed composite sintered at 655 °C for 60 min is fully dense and presents a tightly-adhered and clean SiC/Al interface at the nanoscale, the ideal diffusion-bonded interface being the most favorable for minimizing interfacial thermal resistance, which in turn results in the highest TC of around 270 W/mK.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.319
Times cited: 9
DOI: 10.1002/adem.201400412
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“Fluorinesilicon surface reactions during cryogenic and near room temperature etching”. Tinck S, Neyts EC, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 118, 30315 (2014). http://doi.org/10.1021/jp5108872
Abstract: Cyrogenic etching of silicon is envisaged to enable better control over plasma processing in the microelectronics industry, albeit little is known about the fundamental differences compared to the room temperature process. We here present molecular dynamics simulations carried out to obtain sticking probabilities, thermal desorption rates, surface diffusion speeds, and sputter yields of F, F2, Si, SiF, SiF2, SiF3, SiF4, and the corresponding ions on Si(100) and on SiF13 surfaces, both at cryogenic and near room temperature. The different surface behavior during conventional etching and cryoetching is discussed. F2 is found to be relatively reactive compared to other species like SiF03. Thermal desorption occurs at a significantly lower rate under cryogenic conditions, which results in an accumulation of physisorbed species. Moreover, ion incorporation is often observed for ions with energies of 30400 eV, which results in a relatively low net sputter yield. The obtained results suggest that the actual etching of Si, under both cryogenic and near room temperature conditions, is based on the complete conversion of the Si surface to physisorbed SiF4, followed by subsequent sputtering of these molecules, instead of direct sputtering of the SiF03 surface.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 11
DOI: 10.1021/jp5108872
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“Raman study of different crystalline forms of PbCrO4 and PbCr1-xSxO4 solid solutions for the noninvasive identification of chrome yellows in paintings : a focus on works by Vincent van Gogh”. Monico L, Janssens K, Hendriks E, Brunetti BG, Miliani C, Journal of Raman spectroscopy 45, 1034 (2014). http://doi.org/10.1002/JRS.4548
Abstract: Chrome yellows, a class of pigments frequently used by painters of the Impressionism and Post-impressionism period, are known for their different chemical stability; the latter depends on the chemical composition (PbCrO4, PbCr1-xSxO4) and crystalline structure (monoclinic or orthorhombic) of the material. The possibility to distinguish among different forms of this pigment is therefore relevant in order to extend knowledge on the corresponding degradation process that is observed on several original paintings. For this purpose, three paintings conserved at the Van Gogh Museum (Amsterdam) were analyzed using noninvasive Raman spectroscopy, while equivalent investigations employing bench-top instrumentation were performed to obtain information from micro-samples originating from these works of art. In each painting, the chrome yellow was identified either as monoclinic PbCrO4 or in the form of monoclinic PbCr1-xSxO4 (x<0.25) or S-rich orthorhombic PbCr1-xSxO4 (x similar to 0.5). Our ability to make this fairly subtle distinction is based on a Raman study of several oil paint model samples made up of monoclinic and/or orthorhombic crystalline forms of PbCrO4 and PbCr1-xSxO4 (0.1x0.8). These paints were studied using several excitation wavelengths (namely 785.0, 532.0, 514.5, and 488nm). Because of the absence of the resonance Raman effect, which strongly enhances the chromate symmetric stretching band, and the absence of any laser-induced photodecomposition, it is advantageous to acquire data at 785.0nm. The band-shape and the position of the chromate bending modes proved to be more sensitive to the solid solution composition and crystalline structure than the stretching modes and can be used as distinctive spectral markers to discriminate among the different chrome yellow forms that are present. Copyright (c) 2014 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.969
Times cited: 34
DOI: 10.1002/JRS.4548
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