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	Author	Bafekry, A.; Stampfl, C.; Ghergherehchi, M.; Shayesteh, S.F.
	Title	A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet			Type	A1 Journal article
	Year	2020	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	157	Issue	157	Pages	371-384
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the first-principles calculations, we explore the structural and novel electronic/optical properties of the C2N nanosheet. To this goal, we systematically investigate the affect of layer thickness, electrical field and strain on the electronic properties of the C2N nanosheet. By increasing the thickness of C2N, we observed that the band gap decreases. Moreover, by applying an electrical field to bilayer C2N, the band gap decreases and a semiconductor-to-metal transition can occur. Our results also confirm that uniaxial and biaxial strain can effectively alter the band gap of C2N monolayer. Furthermore, we show that the electronic and magnetic properties of C2N can be modified by the adsorption and substitution of various atoms. Depending on the species of embedded atoms, they may induce semiconductor (O, C, Si and Be), metal (S, N, P, Na, K, Mg and Ca), dilute-magnetic semiconductor (H, F, B), or ferro-magnetic-metal (Cl, Li) character in C2N monolayer. It was also found that the inclusion of hydrogen or oxygen impurities and nitrogen vacancies, can induce magnetism in the C2N monolayer. These extensive calculations can be useful to guide future studies to modify the electronic/optical properties of two-dimensional materials. (C) 2019 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000502548500044	Publication Date	2019-10-22
	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	10.9	Times cited	49	Open Access
	Notes	; This work was supported by the National Research Foundation of Korea grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). We are thankful for comments by Meysam Baghery Tagani from department of physics in University of Guilan and Bohayra Mortazavi from Gottfried Wilhelm Leibniz Universitat Hannover, Hannover, Germany. ;			Approved	Most recent IF: 10.9; 2020 IF: 6.337
	Call Number	UA @ admin @ c:irua:165024			Serial	6283
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	Author	Yagmurcukardes, M.; Peeters, F.M.
	Title	Stable single layer of Janus MoSO: strong out-of-plane piezoelectricity			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	15	Pages	155205-155208
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using density functional theory based first-principles calculations, we predict the dynamically stable 1H phase of a Janus single layer composed of S-Mo-O atomic layers. It is an indirect band gap semiconductor exhibiting strong polarization arising from the charge difference on the two surfaces. In contrast to 1H phases of MoS2 and MoO2, Janus MoSO is found to possess four Raman active phonon modes and a large out-of-plane piezoelectric coefficient which is absent in fully symmetric single layers of MoS2 and MoO2. We investigated the electronic and phononic properties under applied biaxial strain and found an electronic phase transition with tensile strain while the conduction band edge displays a shift when under compressive strain. Furthermore, single-layer MoSO exhibits phononic stability up to 5% of compressive and 11% of tensile strain with significant phonon shifts. The phonon instability is shown to arise from the soft in-plane and out-of-plane acoustic modes at finite wave vector. The large strain tolerance of Janus MoSO is important for nanoelastic applications. In view of the dynamical stability even under moderate strain, we expect that Janus MoSO can be fabricated in the common 1H phase with a strong out-of-plane piezoelectric coefficient.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000528507900003	Publication Date	2020-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	49	Open Access
	Notes	; Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:169566			Serial	6614
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	Author	Wang, Z.; Wang, Y.B.; Yin, J.; Tovari, E.; Yang, Y.; Lin, L.; Holwill, M.; Birkbeck, J.; Perello, D.J.; Xu, S.; Zultak, J.; Gorbachev, R.V.; Kretinin, A.V.; Taniguchi, T.; Watanabe, K.; Morozov, S.V.; Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.; Mishchenko, A.; Geim, A.K.; Novoselov, K.S.; Fal'ko, V.I.; Knothe, A.; Woods, C.R.
	Title	Composite super-moiré lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures			Type	A1 Journal article
	Year	2019	Publication	Science Advances	Abbreviated Journal
	Volume	5	Issue	12	Pages	eaay8897
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000505069600089	Publication Date	2019-12-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2375-2548	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	49	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:165754			Serial	6289
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	Author	Michielsen, I.; Uytdenhouwen, Y.; Pype, J.; Michielsen, B.; Mertens, J.; Reniers, F.; Meynen, V.; Bogaerts, A.
	Title	CO 2 dissociation in a packed bed DBD reactor: First steps towards a better understanding of plasma catalysis			Type	A1 Journal article
	Year	2017	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	326	Issue	326	Pages	477-488
	Keywords	A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis is gaining increasing interest for CO2 conversion, but the interaction between the plasma and catalyst is still poorly understood. This is caused by limited systematic materials research, since most works combine a plasma with commercial supported catalysts and packings. In the present paper, we study the influence of specific material and reactor properties, as well as reactor/bead configuration, on the conversion and energy efficiency of CO2 dissociation in a packed bed dielectric barrier discharge (DBD) reactor. Of the various packing materials investigated, BaTiO3 yields the highest conversion and energy efficiency, i.e., 25% and 4.5%. Our results show that, when evaluating the influence of catalysts, the impact of the packing (support) material itself cannot be neglected, since it can largely affect the conversion and energy efficiency. This shows the large potential for further improvement of packed bed plasma reactors for CO2 conversion and other chemical conversion reactions by adjusting both packing (support) properties and catalytically active sites. Moreover, we clearly prove that comparison of results obtained in different reactor setups should be done with care, since there is a large effect of the reactor setup and reactor/bead configuration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000406137200047	Publication Date	2017-06-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	49	Open Access	OpenAccess
	Notes	This research was carried out with financial support of the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for both I. Michielsen (IWT-141093) and J. Pype (IWT-131229) and of the Walloon region through the excellence programme FLYCOAT (nr. 1318147) for the profilometry measurements. The authors also acknowledge financial support from an IOF-SBO project from the University of Antwerp and from the Fund for Scientific Research (FWO; grant number: G.0254.14 N). This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb. ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The authors would also like to thank Koen Van Laer for the discussions on this manuscript.			Approved	Most recent IF: 6.216
	Call Number	PLASMANT @ plasmant @ c:irua:144802			Serial	4626
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	Author	Missault, N.; Vasilopoulos, P.; Peeters, F.M.; Van Duppen, B.
	Title	Spin- and valley-dependent miniband structure and transport in silicene superlattices			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	125425
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate silicene superlattices in the presence of a tunable barrier potential U, an exchange field M, and a perpendicular electric field E-z. The resulting miniband structure depends on the spin and valley indices and on the fields M and E-z. These fields determine the minigaps and also affect the additional Dirac points brought about by the periodic potential U. In addition, we consider diffusive transport and assess its dependence on the spin and valley indices as well as on temperature. The corresponding spin and valley polarizations strongly depend on the potential U and can be made almost 100% at very low temperatures at particular values of the Fermi energy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372715800009	Publication Date	2016-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes	; This work was supported by the Canadian NSERC Grant No. OGP0121756 (P.V.), and by the Flemish Science Foundation FWO-Vl) with the “Odysseus” Program (N. M.) and with a PhD research grant (B.V.D.). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:133194			Serial	4246
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	Author	Huygh, S.; Bogaerts, A.; Neyts, E.C.
	Title	How Oxygen Vacancies Activate CO₂ Dissociation on TiO₂ Anatase (001)			Type	A1 Journal article
	Year	2016	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	120	Issue	120	Pages	21659-21669
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The adsorption, dissociation, and diffusion of CO2 on the anatase (001) surface was studied using DFT by means of the generalized gradient approximation using the Perdew−Burcke−Ernzerhof (PBE)-functional and applying corrections for long-range dispersion interactions. Different stable adsorption configurations were identified for the fully oxidized surface. The most stable adsorption configuration is the monodentated carbonate-like structure. Small energy barriers were identified for the conversion of a physisorbed to a chemisorbed configuration. CO2 dissociation is found to be unfeasible on the stoichiometric surface. The introduction of oxygen vacancy defects gives rise to new highly stable adsorption configurations with a stronger activation of the C−O bonds. This leads to the possibility of exothermic dissociation of CO2 with barriers up to 22.2 kcal/mol, corresponding to chemical lifetimes of less than 4 s at 300 K. These reactions cause a CO molecule to be formed, which will easily desorb, and the reduced surface to become oxidized. It is clear that oxygen vacancy defects play a key role in the catalytic activity of an anatase (001) surface. Oxygen vacancies play an important role in the dissociation of CO2 on the anatase (001) surface, and will play a significant role in complex problems, such as the catalytic conversion of CO2 to value-added chemicals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384626800055	Publication Date	2016-09-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	49	Open Access
	Notes	Stijn Huygh is funded as an aspirant of the Research Foundation Flanders (FWO, project number 11C0115N). This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen.			Approved	Most recent IF: 4.536
	Call Number	PLASMANT @ plasmant @ c:irua:136164			Serial	4291
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	Author	Sahin, H.
	Title	Structural and phononic characteristics of nitrogenated holey graphene			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	92	Issue	92	Pages	085421
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recent experimental studies showed that formation of a two-dimensional crystal structure of nitrogenated holey graphene (NHG) is possible. Similar to graphene, NHGs have an atomically thin and strong crystal structure. Using first-principles calculations, we investigate the structural, phononic, and thermal properties of monolayer NHG crystal. Our charge analysis reveals that the charged holey sites of NHG provide a reactive ground for further functionalization by adatoms or molecules. We also found that similar to graphene, the NHG structure has quite high-frequency phonon modes and the presence of nitrogen atoms leads to the emergence of additional vibrational modes. Our phonon analysis reveals the presence of three characteristic Raman-active modes of NHG. Furthermore, the analysis of constant-volume heat capacity showed that the NHG structure has a linear temperature dependence in the low-temperature region. The strong lattice structure and unique thermal properties of the NHG crystal structure are desirable in nanoscale device applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000359860700007	Publication Date	2015-08-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 1550-235x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	UA @ lucian @ c:irua:127755			Serial	4252
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	Author	Oueslati, S.; Brammertz, G.; Buffiere, M.; ElAnzeery, H.; Touayar, O.; Koeble, C.; Bekaert, J.; Meuris, M.; Poortmans, J.
	Title	Physical and electrical characterization of high-performance Cu₂ZnSnSe₄ based thin film solar cells			Type	A1 Journal article
	Year	2015	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume	582	Issue	582	Pages	224-228
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report on the electrical, optical and physical properties of Cu2ZnSnSe4 solar cells using an absorber layer fabricated by selenization of sputtered Cu, Zn and Cu10Sn90 multilayers. A maximum active-area conversion efficiency of 10.4% under AM1.5G was measured with a maximum short circuit current density of 39.7 mA/cm(2), an open circuit voltage of 394 mV and a fill factor of 66.4%. We perform electrical and optical characterization using photoluminescence spectroscopy, external quantum efficiency, current-voltage and admittance versus temperature measurements in order to derive information about possible causes for the low open circuit voltage values observed. The main defects derived from these measurements are strong potential fluctuations in the absorber layer as well as a potential barrier of the order of 133 meV at the back side contact. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000352225900048	Publication Date	2014-10-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	49	Open Access
	Notes	; We would like to acknowledge Tom De Geyter, Greetje Godiers, and Guido Huyberechts from Flamac in Gent for sputtering of the metal layers. AGC is acknowledged for providing substrates. This research is partially funded by the Flemish government, Department Economy, Science and Innovation. ;			Approved	Most recent IF: 1.879; 2015 IF: 1.759
	Call Number	UA @ lucian @ c:irua:132504			Serial	4225
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	Author	Scalise, E.; Houssa, M.; Cinquanta, E.; Grazianetti, C.; van den Broek, B.; Pourtois, G.; Stesmans, A.; Fanciulli, M.; Molle, A.
	Title	Engineering the electronic properties of silicene by tuning the composition of MoX₂ and GaX (X = S,Se,Te) chalchogenide templates			Type	A1 Journal article
	Year	2014	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	1	Issue	1	Pages	011010
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	By using first-principles simulations, we investigate the interaction of a 2D silicon layer with two classes of chalcogenide-layered compounds, namely MoX2 and GaX (X = S, Se, Te). A rather weak (van der Waals) interaction between the silicene layers and the chalcogenide layers is predicted. We found that the buckling of the silicene layer is correlated to the lattice mismatch between the silicene layer and the MoX2 or GaX template. The electronic properties of silicene on these different templates largely depend on the buckling of the silicene layer: highly buckled silicene on MoS2 is predicted to be metallic, while low buckled silicene on GaS and GaSe is predicted to be semi-metallic, with preserved Dirac cones at the K points. These results indicate new routes for artificially engineering silicene nanosheets, providing tailored electronic properties of this 2D layer on non-metallic substrates. These non-metallic templates also open the way to the possible integration of silicene in future nanoelectronic devices.
	Address
	Corporate Author				Thesis
	Publisher	IOP Publishing	Place of Publication	Bristol	Editor
	Language		Wos	000353649900011	Publication Date	2014-05-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 6.937; 2014 IF: NA
	Call Number	UA @ lucian @ c:irua:126032			Serial	1048
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	Author	Van Duppen, B.; Vasilopoulos, P.; Peeters, F.M.
	Title	Spin and valley polarization of plasmons in silicene due to external fields			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	3	Pages	035142
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic properties of the two-dimensional material silicene are strongly influenced by the application of a perpendicular electric field E-z and of an exchange field M due to adatoms positioned on the surface or a ferromagnetic substrate. Within the random phase approximation, we investigate how electron-electron interactions are affected by these fields and present analytical and numerical results for the dispersion of plasmons, their lifetime, and their oscillator strength. We find that the combination of the fields E-z and M brings a spin and valley texture to the particle-hole excitation spectrum and allows the formation of spin-and valley-polarized plasmons. When the Fermi level lies in the gap of one spin in one valley, the intraband region of the corresponding spectrum disappears. For zero E-z and finite M the spin symmetry is broken and spin polarization is possible. The lifetime and oscillator strength of the plasmons are shown to depend strongly on the number of spin and valley type electrons that form the electron-hole pairs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339974700001	Publication Date	2014-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes	; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant grant to B.V.D., the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:118776			Serial	3080
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	Author	Monico, L.; Janssens, K.; Miliani, C.; van der Snickt, G.; Brunetti, B.G.; Guidi, M.C.; Radepont, M.; Cotte, M.
	Title	Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : 4 : artificial aging of model samples of co-precipitates of lead chromate and lead sulfate			Type	A1 Journal article
	Year	2013	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	85	Issue	2	Pages	860-867
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Previous investigations about the darkening of chrome yellow pigments revealed that this form of alteration is attributable to a reduction of the original Cr(VI) to Cr(III), and that the presence of sulfur-containing compounds, most often sulfates, plays a key role during this process. We recently demonstrated that different crystal forms of chrome yellow pigments (PbCrO4 and PbCr1xSxO4) are present in paintings by Vincent van Gogh. In the present work, we show how both the chemical composition and the crystalline structure of lead chromate-based pigments influence their stability. For this purpose, oil model samples made with in-house synthesized powders of PbCrO4 and PbCr1xSxO4 were artificially aged and characterized. We observed a profound darkening only for those paint models made with PbCr1xSxO4, rich in SO42 (x ≥ 0.4), and orthorhombic phases (>30 wt %). Cr and S K-edge micro X-ray absorption near edge structure investigations revealed in an unequivocal manner the formation of up to about 60% of Cr(III)-species in the outer layer of the most altered samples; conversely, independent of the paint models chemical composition, no change in the S-oxidation state was observed. Analyses employing UVvisible diffuse reflectance and Fourier transform infrared spectroscopy were performed on unaged and aged model samples in order to obtain additional information on the physicochemical changes induced by the aging treatment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000313668400032	Publication Date	2012-10-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	49	Open Access
	Notes	; This research was supported by grants from ESRF (experiment EC-799), the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16), and the BELSPO-SDD S2-ART (SD/RI/04) project. The text also presents results from GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects G.0704.08 and G.01769.09. The EU FP7 programme CHARISMA (Grant Agreement 228330) and MIUR (PRIN08, Materiali e sistemi innovativi per la conservazione dell'arte contemporanea 2008 FFXXN9) are also acknowledged. ;			Approved	Most recent IF: 6.32; 2013 IF: 5.825
	Call Number	UA @ admin @ c:irua:110471			Serial	5569
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	Author	Trofimova, E.Y.; Kurdyukov, D.A.; Yakovlev, S.A.; Kirilenko, D.A.; Kukushkina, Y.A.; Nashchekin, A.V.; Sitnikova, A.A.; Yagovkina, M.A.; Golubev, V.G.
	Title	Monodisperse spherical mesoporous silica particles : fast synthesis procedure and fabrication of photonic-crystal films			Type	A1 Journal article
	Year	2013	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	24	Issue	15	Pages	155601-155611
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A procedure for the synthesis of monodisperse spherical mesoporous silica particles (MSMSPs) via the controlled coagulation of silica/surfactant clusters into spherical aggregates with mean diameters of 250-1500 nm has been developed. The synthesis is fast (taking less than 1 h) because identical clusters are simultaneously formed in the reaction mixture. The results of microscopic, x-ray diffraction, adsorption and optical measurements allowed us to conclude that the clusters are similar to 15 nm in size and have hexagonally packed cylindrical pore channels. The channel diameters in MSMSPs obtained with cethyltrimethylammonium bromide and decyltrimethylammonium bromide as structure-directing agents were 3.1 +/- 0.15 and 2.3 +/- 0.12 nm, respectively. The specific surface area and the pore volume of MSMSP were, depending on synthesis conditions, 480-1095 m(2) g(-1) and 0.50-0.65 cm(3) g(-1). The MSMSP were used to grow opal-like photonic-crystal films possessing a hierarchical macro-mesoporous structure, with pores within and between the particles. A selective filling of mesopore channels with glycerol, based on the difference between the capillary pressures in macro- and mesopores, was demonstrated. It is shown that this approach makes it possible to control the photonic bandgap position in mesoporous opal films by varying the degree of mesopore filling with glycerol. Online supplementary data available from stacks.iop.org/Nano/24/155601/mmedia
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000316988700009	Publication Date	2013-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484;1361-6528;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.44; 2013 IF: 3.672
	Call Number	UA @ lucian @ c:irua:108462			Serial	2191
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	Author	Van Passel, S.; Meul, M.
	Title	Multilevel and multi-user sustainability assessment of farming systems			Type	A1 Journal article
	Year	2012	Publication	Environmental Impact Assessment Review	Abbreviated Journal	Environ Impact Asses
	Volume	32	Issue	1	Pages	170-180
	Keywords	A1 Journal article; Engineering sciences. Technology
	Abstract	Sustainability assessment is needed to build sustainable farming systems. A broad range of sustainability concepts, methodologies and applications already exists. They differ in level, focus, orientation, measurement, scale, presentation and intended end-users. In this paper we illustrate that a smart combination of existing methods with different levels of application can make sustainability assessment more profound, and that it can broaden the insights of different end-user groups. An overview of sustainability assessment tools on different levels and for different end-users shows the complementarities and the opportunities of using different methods. In a case-study, a combination of the sustainable value approach (SVA) and MOTIFS is used to perform a sustainability evaluation of farming systems in Flanders. SVA is used to evaluate sustainability at sector level, and is especially useful to support policy makers, while MOTIFS is used to support and guide farmers towards sustainability at farm level. The combined use of the two methods with complementary goals can widen the insights of both farmers and policy makers, without losing the particularities of the different approaches. To stimulate and support further research and applications, we propose guidelines for multilevel and multi-user sustainability assessments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000297874000020	Publication Date	2011-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0195-9255	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.094	Times cited	49	Open Access
	Notes	; ;			Approved	Most recent IF: 3.094; 2012 IF: 1.851
	Call Number	UA @ admin @ c:irua:94186			Serial	6231
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	Author	Lind, O.C.; Salbu, B.; Skipperud, L.; Janssens, K.; Jaroszewicz, J.; de Nolf, W.
	Title	Solid state speciation and potential bioavailability of depleted uranium particles from Kosovo and Kuwait			Type	A1 Journal article
	Year	2009	Publication	Journal of environmental radioactivity	Abbreviated Journal	J Environ Radioactiv
	Volume	100	Issue	4	Pages	301-307
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A combination of synchrotron radiation based X-ray microscopic techniques (ì-XRF, ì-XANES, ì-XRD) applied on single depleted uranium (DU) particles and semi-bulk leaching experiments has been employed to link the potential bioavailability of DU particles to site-specific particle characteristics. The oxidation states and crystallographic forms of U in DU particles have been determined for individual particles isolated from selected samples collected at different sites in Kosovo and Kuwait that were contaminated by DU ammunition during the 1999 Balkan conflict and the 1991 Gulf war. Furthermore, small soil or sand samples heavily contaminated with DU particles were subjected to simulated gastrointestinal fluid (0.16 M HCl) extractions. Characteristics of DU particles in Kosovo soils collected in 2000 and in Kuwait soils collected in 2002 varied significantly depending on the release scenario and to some extent on weathering conditions. Oxidized U (+6) was determined in large, fragile and bright yellow DU particles released during fire at a DU ammunition storage facility and crystalline phases such as schoepite (UO3·2.25H2O), dehydrated schoepite (UO3·0.75H2O) and metaschoepite (UO3·2.0H2O) were identified. As expected, these DU particles were rapidly dissolved in 0.16 M HCl (84 ± 3% extracted after 2 h) indicating a high degree of potential mobility and bioavailability. In contrast, the 2 h extraction of samples contaminated with DU particles originating either from corrosion of unspent DU penetrators or from impacted DU ammunition appeared to be much slower (2030%) as uranium was less oxidized (+4 to +6). Crystalline phases such as UO2, UC and metallic U or UTi alloy were determined in impacted DU particles from Kosovo and Kuwait, while the UO2,34 phase, only determined in particles from Kosovo, could reflect a more corrosive environment. Although the results are based on a limited number of DU particles, they indicate that the structure and extractability of DU particles released from similar sources (metallic U penetrators) will depend on the release scenarios (fire, impact) and to some extent environmental conditions. However, most of the DU particles (7396%) in all investigated samples were dissolved in 0.16 M HCl after one week indicating that a majority of the DU material is bioaccessible.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000264649500004	Publication Date	2009-02-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0265-931x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.31	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 2.31; 2009 IF: 1.268
	Call Number	UA @ admin @ c:irua:76413			Serial	5834
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	Author	Bogaerts, A.
	Title	Hybrid Monte Carlo: fluid model for studying the effects of nitrogen addition to argon glow discharges			Type	A1 Journal article
	Year	2009	Publication	Spectrochimica acta: part B : atomic spectroscopy	Abbreviated Journal	Spectrochim Acta B
	Volume	64	Issue	2	Pages	126-140
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A computer model is developed for describing argon/nitrogen glow discharges. The species taken into account in the model include electrons, Ar atoms in the ground state and in the 4s metastable levels, N2 molecules in the ground state and in six different electronically excited levels, N atoms, Ar+ ions, N+, N2+, N3+ and N4+ ions. The fast electrons are simulated with a Monte Carlo model, whereas all other species are treated in a fluid model. 74 different chemical reactions are considered in the model. The calculation results include the densities of all the different plasma species, as well as information on their production and loss processes. The effect of different N2 additions, in the range between 0.1 and 10%, is investigated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000263621300002	Publication Date	2008-12-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0584-8547;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.241	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.241; 2009 IF: 2.719
	Call Number	UA @ lucian @ c:irua:72829			Serial	1525
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	Author	Costa Filho, R.N.; Farias, G.A.; Peeters, F.M.
	Title	Graphene ribbons with a line of impurities: oOpening of a gap			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	76	Issue		Pages	193409,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000251326800034	Publication Date	2007-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:69661			Serial	1376
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	Author	Papp, G.; Peeters, F.M.
	Title	Tunable giant magnetoresistance with magnetic barriers			Type	A1 Journal article
	Year	2006	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	100	Issue	4	Pages	043707,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000240236800056	Publication Date	2006-09-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 2.068; 2006 IF: 2.316
	Call Number	UA @ lucian @ c:irua:60812			Serial	3742
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	Author	Yang, Z.; Tirry, W.; Schryvers, D.
	Title	Analytical TEM investigations on concentration gradients surrounding Ni₄Ti₃ precipitates in Ni-Ti shape memory material			Type	A1 Journal article
	Year	2005	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	52	Issue	11	Pages	1129-1134
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000228190200010	Publication Date	2005-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	49	Open Access
	Notes	GOA project; MCRTN-FP6-505226 Multimat			Approved	Most recent IF: 3.747; 2005 IF: 2.228
	Call Number	UA @ lucian @ c:irua:55687			Serial	110
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	Author	Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K.
	Title	Multiple flux jumps and irreversible behavior of thin Al superconducting rings			Type	A1 Journal article
	Year	2003	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	67	Issue	5	Pages	054506-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000181360300061	Publication Date	2003-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.836; 2003 IF: NA
	Call Number	UA @ lucian @ c:irua:102812			Serial	2227
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	Author	Wang, X.F.; Vasilopoulos, P.; Peeters, F.M.
	Title	Ballistic spin transport through electronic stub tuners : spin precession, selection, and square-wave transmission			Type	A1 Journal article
	Year	2002	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	80	Issue	8	Pages	1400-1402
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ballistic spin transport is studied through electronic tuners with double stubs attached to them. The spins precess due to the spin-orbit interaction. Injected polarized spins can exit the structure polarized in the opposite direction. A nearly square-wave spin transmission, with values 1 and 0, can be obtained using a periodic system of symmetric stubs and changing their length or width. The gaps in the transmission can be widened using asymmetric stubs. An additional modulation is obtained upon combining stub structures with different values of the spin-orbit strength. D 2002 American Institute of Physics.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000174009800028	Publication Date	2002-07-26
	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	49	Open Access
	Notes				Approved	Most recent IF: 3.411; 2002 IF: 4.207
	Call Number	UA @ lucian @ c:irua:95131			Serial	215
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	Author	de Raedt, I.; Janssens, K.; Veeckman, J.; Vincze, L.; Vekemans, B.; Jeffries, T.
	Title	Trace analysis allows to distinguish between Venetian and facon-de-Venise glass vessels of the 16th and 17th century			Type	A1 Journal article
	Year	2001	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	16	Issue	9	Pages	1012-1017
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000171287600020	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.379; 2001 IF: 3.305
	Call Number	UA @ admin @ c:irua:34090			Serial	5878
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	Author	Bogaerts, A.; Gijbels, R.
	Title	Fundamental aspects and applications of glow discharge spectrometric techniques			Type	A1 Journal article
	Year	1998	Publication	Spectrochimica acta: part B : atomic spectroscopy	Abbreviated Journal	Spectrochim Acta B
	Volume	53	Issue	1	Pages	1-42
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000074078200001	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0584-8547;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.241	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.241; 1998 IF: 2.758
	Call Number	UA @ lucian @ c:irua:19612			Serial	1308
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	Author	Partoens, B.; Schweigert, V.A.; Peeters, F.M.
	Title	Classical double-layer atoms: artificial molecules			Type	A1 Journal article
	Year	1997	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	79	Issue		Pages	3990-3993
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1997YF78600048	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 8.462; 1997 IF: 6.140
	Call Number	UA @ lucian @ c:irua:19280			Serial	364
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	Author	Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B.
	Title	Lead-mercury based superconductors: the 1212 cuprate Pb_0.7Hg_0.3Sr_2+xCa_0.7Nd_0.3-xCu₂O_7-\delta and the new oxycarbonate Pb_0.7Hg_0.3Sr₄Cu₂CO₃O₇			Type	A1 Journal article
	Year	1994	Publication	Physica C-Superconductivity And Its Applications	Abbreviated Journal	Physica C
	Volume	222	Issue		Pages	19-26
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994NB49400004	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.942	Times cited	49	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10027			Serial	1812
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	Author	Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B.
	Title	Lead-mercury-based superconductors – the 1212-cuprate Pb_0.7Hg_0.3Sr_2+xCa_0.7Nd_0.3-xCu₂O_7-\delta and the new oxycarbonate Pb_0.7Hg_0.3Sr₄Cu₂CO₃O₇			Type	A1 Journal article
	Year	1994	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	222	Issue	1-2	Pages	19-26
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new superconducting mercury oxycarbonate, Pb0.7Hg0.3Sr4Cu2CO3O7, has been synthesized. This tetragonal phase (a = 3.824 angstrom, c= 16.468 angstrom) consists of an intergrowth of two nonsuperconducting compounds, Sr2CuO2CO3 and Pb0.7Hg0.3Sr2CuO5. It exhibits after optimization a critical temperature of 70 K, with a sharp transition and a superconducting volume fraction of 50%. Its behavior can be compared to that of thallium oxycarbonates previously isolated. This study is completed by a reinvestigation of the 1212 cuprate of the system Hg-Pb-Sr-Ca-Nd-Cu. A superconducting phase with the 1212 structure, similar to that previously obtained but with a significantly different composition, Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7, has been obtained, with a T(c onset) of 100 K. The behavior of the latter is compared with other lead-based 1212 cuprates.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994NB49400004	Publication Date	2002-10-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.942	Times cited	49	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:104517			Serial	1813
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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	UA @ lucian @ c:irua:111403			Serial	670
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