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Author Chen, Q.; Li, L.L.; Peeters, F.M. pdf  url
doi  openurl
  Title Inner and outer ring states of MoS2 quantum rings : energy spectrum, charge and spin currents Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys  
  Volume 125 Issue 24 Pages 244303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the energy levels and persistent currents of MoS2 quantum rings having different shapes and edge types in the presence of a perpendicular magnetic field by means of the tight-binding approach. We find states localized at the inner and outer boundaries of the ring. These energy levels exhibit different magnetic field dependences for the inner and outer ring states due to their different localization properties. They both exhibit the usual Aharanov-Bohm oscillations but with different oscillation periods. In the presence of spin-orbit coupling, we show distinct spin and charge persistent currents for inner and outer ring states. We find well-defined spin currents with negligibly small charge currents. This is because the local currents of spin-up and -down states flow in opposite directions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000474439600026 Publication Date 2019-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 11 Open Access  
  Notes ; This work was supported by the Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2080, and 2018JJ4047), the National Natural Science Foundation of China (NNSFC) (No. 51502087), the Scientific Research Fund of Hunan Provincial Education Department (Nos. 15A042, 15B056, and 17B060), and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:161309 Serial 5417  
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Ghergherehchi, M.; Peeters, F.M. pdf  doi
openurl 
  Title Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys  
  Volume 126 Issue 14 Pages 144304  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000503995300019 Publication Date 2019-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 56 Open Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:165160 Serial 6328  
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. url  doi
openurl 
  Title Two-dimensional carbon nitride (2DCN) nanosheets : tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal (down) J Appl Phys  
  Volume 126 Issue 21 Pages 215104  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By employing first-principles calculations within the framework of density functional theory, we investigated the structural, electronic, and magnetic properties of graphene and various two-dimensional carbon-nitride (2DNC) nanosheets. The different 2DCN gives rise to diverse electronic properties such as metals (C3N2), semimetals (C4N and C9N4), half-metals (C4N3), ferromagnetic-metals (C9N7), semiconductors (C2N, C3N, C3N4, C6N6, and C6N8), spin-glass semiconductors (C10N9 and C14N12), and insulators (C2N2). Furthermore, the effects of adsorption and substitution of hydrogen atoms as well as N-vacancy defects on the electronic and magnetic properties are systematically studied. The introduction of point defects, including N vacancies, interstitial H impurity into graphene and different 2DCN crystals, results in very different band structures. Defect engineering leads to the discovery of potentially exotic properties that make 2DCN interesting for future investigations and emerging technological applications with precisely tailored properties. These properties can be useful for applications in various fields such as catalysis, energy storage, nanoelectronic devices, spintronics, optoelectronics, and nanosensors. Published under license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000504007300023 Publication Date 2019-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 70 Open Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:165733 Serial 6329  
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Author Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M. pdf  doi
openurl 
  Title Asymmetric versus symmetric HgTe/CdxHg1-x Te double quantum wells: Bandgap tuning without electric field Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 128 Issue 6 Pages 064301-64308  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the electron states in double asymmetric HgTe / Cd x Hg 1 – x Te quantum wells grown along the [ 001 ] direction. The subbands are computed by means of the envelope function approximation applied to the eight-band Kane k . mml:mspace width=“.1em”mml:mspace p model. The asymmetry of the confining potential of the double quantum wells results in a gap opening, which is absent in the symmetric system where it can only be induced by an applied electric field. The bandgap and the subbands are affected by spin-orbit coupling, which is a consequence of the asymmetry of the confining potential. The electron-like and hole-like states are mainly confined in different quantum wells, and the enhanced hybridization between them opens a spin-dependent hybridization gap at a finite in-plane wavevector. We show that both the ratio of the widths of the two quantum wells and the mole fraction of the C d x H g 1 – x Te barrier control both the energy gap between the hole-like states and the hybridization gap. The energy subbands are shown to exhibit inverted ordering, and therefore, a nontrivial topological phase could emerge in the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000561339300001 Publication Date 2020-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.2 Times cited 4 Open Access  
  Notes ; This research was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:171146 Serial 6453  
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Author Li, Q.N.; Xu, W.; Xiao, Y.M.; Ding, L.; Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Optical absorption window in Na₃Bi based three-dimensional Dirac electronic system Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 128 Issue 15 Pages 155707  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical study of the optoelectronic properties of a Na3Bi based three-dimensional Dirac electronic system (3DDES). The optical conductivity is evaluated using the energy-balance equation derived from a Boltzmann equation, where the electron Hamiltonian is taken from a simplified k . p approach. We find that for short-wavelength irradiation, the optical absorption in Na3Bi is mainly due to inter-band electronic transitions. In contrast to the universal optical conductance observed for graphene, the optical conductivity for Na3Bi based 3DDES depends on the radiation frequency but not on temperature, carrier density, and electronic relaxation time. In the radiation wavelength regime of about 5 mu m, < lambda < 200 mu m, an optical absorption window is found. This is similar to what is observed in graphene. The position and width of the absorption window depend on the direction of the light polarization and sensitively on temperature, carrier density, and electronic relaxation time. Particularly, we demonstrate that the inter-band optical absorption channel can be switched on and off by applying the gate voltage. This implies that similar to graphene, Na3Bi based 3DDES can also be applied in infrared electro-optical modulators. Our theoretical findings are helpful in gaining an in-depth understanding of the basic optoelectronic properties of recently discovered 3DDESs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000585807400004 Publication Date 2020-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.2 Times cited 1 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (NNSFC Nos. U1930116, U1832153, 11764045, 11574319, and 11847054) and the Center of Science and Technology of Hefei Academy of Science (No. 2016FXZY002). Applied Basic Research Foundation of Department of Science and Technology of Yunnan Province (No. 2019FD134), the Department of Education of Yunnan Province (No. 2018JS010), the Young Backbone Teachers Training Program of Yunnan University, and the Department of Science and Technology of Yunnan Province are acknowledged. ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:173591 Serial 6571  
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Author Chaves, A.; Moura, V.N.; Linard, F.J.A.; Covaci, L.; Milošević, M.V. doi  openurl
  Title Tunable magnetic focusing using Andreev scattering in superconductor-graphene hybrid devices Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 128 Issue 12 Pages 124303  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We perform the wavepacket dynamics simulation of a graphene-based device where propagating electron trajectories are tamed by an applied magnetic field toward a normal/superconductor interface. The magnetic field controls the incidence angle of the incoming electronic wavepacket at the interface, which results in the tunable electron-hole ratio in the reflected wave function due to the angular dependence of the Andreev reflection. Here, mapped control of the quasiparticle trajectories by the external magnetic field not only defines an experimental probe for fundamental studies of the Andreev reflection in graphene but also lays the foundation for further development of magnetic focusing devices based on nanoengineered superconducting two-dimensional materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000576393200002 Publication Date 2020-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.2 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by the Brazilian Council for Research (CNPq) through the PRONEX/FUNCAP and PQ programs and by the Research Foundation-Flanders (FWO). ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:172730 Serial 6639  
Permanent link to this record
 

 
Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. doi  openurl
  Title Machine learning approach to constructing tight binding models for solids with application to BiTeCl Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 128 Issue 21 Pages 215107  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Finding a tight-binding (TB) model for a desired solid is always a challenge that is of great interest when, e.g., studying transport properties. A method is proposed to construct TB models for solids using machine learning (ML) techniques. The approach is based on the LCAO method in combination with Slater-Koster (SK) integrals, which are used to obtain optimal SK parameters. The lattice constant is used to generate training examples to construct a linear ML model. We successfully used this method to find a TB model for BiTeCl, where spin-orbit coupling plays an essential role in its topological behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000597311900001 Publication Date 2020-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.2 Times cited 10 Open Access  
  Notes ; This work was supported by the Methusalem program of the Flemish government and was partially supported by BOF (UAntwerpen Grant Reference No. ADPERS/BAP/RS/ 2019). We would like to thank one of the anonymous referees for assisting us in making the paper more accessible to the reader. ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:174380 Serial 6691  
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Author Bruggeman, P.J.; Bogaerts, A.; Pouvesle, J.M.; Robert, E.; Szili, E.J. pdf  url
doi  openurl
  Title Plasma–liquid interactions Type A1 Journal Article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 130 Issue 20 Pages 200401  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979 ISBN Additional Links UA library record  
  Impact Factor 2.068 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.068  
  Call Number PLASMANT @ plasmant @c:irua:184245 Serial 6830  
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Author Milošević, M.V.; Mandrus, D. pdf  doi
openurl 
  Title 2D quantum materials : magnetism and superconductivity Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 130 Issue 18 Pages 180401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000720289900004 Publication Date 2021-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.068 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:184090 Serial 6963  
Permanent link to this record
 

 
Author Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H. url  doi
openurl 
  Title Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal (down) J Appl Phys  
  Volume 129 Issue 15 Pages 155103  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, a two-dimensional (2D) MoSi 2N 4 (MSN) structure has been successfully synthesized [Hong et al., Science 369(6504), 670-674 (2020)]. Motivated by this result, we investigate the structural, electronic, and optical properties of MSN monolayer (MSN-1L) and bilayer (MSN-2L) under the applied electric field (E-field) and strain using density functional theory calculations. We find that the MSN-2L is a semiconductor with an indirect bandgap of 1.60 (1.80)eV using Perdew-Burke-Ernzerhof (HSE06). The bandgap of MSN-2L decreases as the E-field increases from 0.1 to 0.6V/angstrom and for larger E-field up to 1.0V/angstrom the bilayer becomes metallic. As the vertical strain increases, the bandgap decreases; more interestingly, a semiconductor to a metal phase transition is observed at a strain of 12 %. Furthermore, the optical response of the MSN-2L is in the ultraviolet (UV) region of the electromagnetic spectrum. The absorption edge exhibits a blue shift by applying an E-field or a vertical compressive strain. The obtained interesting properties suggest MSN-2L as a promising material in electro-mechanical and UV opto-mechanical devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000640620400003 Publication Date 2021-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:178233 Serial 6981  
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Author Bogomolova, A.; Hruby, M.; Panek, J.; Rabyk, M.; Turner, S.; Bals, S.; Steinhart, M.; Zhigunov, A.; Sedlacek, O.; Stepanek, P.; Filippov, S.K.; pdf  doi
openurl 
  Title Small-angle X-ray scattering and light scattering study of hybrid nanoparticles composed of thermoresponsive triblock copolymer F127 and thermoresponsive statistical polyoxazolines with hydrophobic moieties Type A1 Journal article
  Year 2013 Publication Journal of applied crystallography Abbreviated Journal (down) J Appl Crystallogr  
  Volume 46 Issue 6 Pages 1690-1698  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A combination of new thermoresponsive statistical polyoxazolines, poly[(2-butyl-2-oxazoline)-stat-(2-isopropyl-2-oxazoline)] [pBuOx-co-piPrOx], with different hydrophobic moieties and F127 surfactant as a template system for the creation of thermosensitive nanoparticles for radionuclide delivery has recently been tested [Pánek, Filippov, Hrubý, Rabyk, Bogomolova, Kučka Stěpánek (2012). Macromol. Rapid Commun.33, 16831689]. It was shown that the presence of the thermosensitive F127 triblock copolymer in solution reduces nanoparticle size and polydispersity. This article focuses on a determination of the internal structure and solution properties of the nanoparticles in the temperature range from 288 to 312 K. Here, it is demonstrated that below the cloud point temperature (CPT) the polyoxazolines and F127 form complexes that co-exist in solution with single F127 molecules and large aggregates. When the temperature is raised above the CPT, nanoparticles composed of polyoxazolines and F127 are predominant in solution. These nanoparticles could be described by a spherical shell model. It was found that the molar weight and hydrophobicity of the polymer do not influence the size of the outer radius and only slightly change the inner radius of the nanoparticles. At the same time, molar weight and hydrophobicity did affect the process of nanoparticle formation. In conclusion, poly(2-oxazoline) molecules are fully incorporated inside of F127 micelles, and this result is very promising for the successful application of such systems in radionuclide delivery.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Copenhagen Editor  
  Language Wos 000327070000020 Publication Date 2013-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8898; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 18 Open Access  
  Notes 262348 Esmi; Fwo; Iap-Pai Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:112420 Serial 3042  
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Author Leinders, G.; Grendal, O.G.; Arts, I.; Bes, R.; Prozheev, I.; Orlat, S.; Fitch, A.; Kvashnina, K.; Verwerft, M. pdf  url
doi  openurl
  Title Refinement of the uranium dispersion corrections from anomalous diffraction Type A1 Journal Article
  Year 2024 Publication Journal of Applied Crystallography Abbreviated Journal (down) J Appl Cryst  
  Volume 57 Issue 2 Pages 284-295  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The evolution of the uranium chemical state in uranium compounds, principally in the oxides, is of concern in the context of nuclear fuel degradation under storage and repository conditions, and in accident scenarios. The U–O system shows complicated phase relations between single-valence uranium dioxide (UO<sub>2</sub>) and different mixed-valence compounds (<italic>e.g.</italic>U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>7</sub>and U<sub>3</sub>O<sub>8</sub>). To try resolving the electronic structure associated with unique atomic positions, a combined application of diffraction and spectroscopic techniques, such as diffraction anomalous fine structure (DAFS), can be considered. Reported here is the application of two newly developed routines for assessing a DAFS data set, with the aim of refining the uranium X-ray dispersion corrections. High-resolution anomalous diffraction data were acquired from polycrystalline powder samples of UO<sub>2</sub>(containing tetravalent uranium) and potassium uranate (KUO<sub>3</sub>, containing pentavalent uranium) using synchrotron radiation in the vicinity of the U<italic>L</italic><sub>3</sub>edge (17.17 keV). Both routines are based on an iterative refinement of the dispersion corrections, but they differ in either using the intensity of a selection of reflections or doing a full-pattern (Rietveld method) refinement. The uranium dispersion corrections obtained using either method are in excellent agreement with each other, and they show in great detail the chemical shifts and differences in fine structure expected for tetravalent and pentavalent uranium. This approach may open new possibilities for the assessment of other, more complicated, materials such as mixed-valence compounds. Additionally, the DAFS methodology can offer a significant resource optimization because each data set contains both structural (diffraction) and chemical (spectroscopy) information, which can avoid the requirement to use multiple experimental stations at synchrotron sources.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001208800100008 Publication Date 2024-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1600-5767 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.1 Times cited Open Access  
  Notes FPS Economy, SF-CORMOD; Approved Most recent IF: 6.1; 2024 IF: 2.495  
  Call Number EMAT @ emat @c:irua:206011 Serial 9127  
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Author van Straaten, M.; Swenters, K.; Gijbels, R.; Verlinden, J.; Adriaenssens, E. doi  openurl
  Title Analysis of platinum powder by glow discharge mass spectrometry Type A1 Journal article
  Year 1994 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 9 Issue Pages 1389-1397  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1994PY14900012 Publication Date 2004-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.466 Times cited 17 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10253 Serial 103  
Permanent link to this record
 

 
Author Jembrih-Simbürger, D.; Neelmeijer, C.; Schalm, O.; Fredrickx, P.; Schreiner, M.; De Vis, K.; Mäder, M.; Schryvers, D.; Caen, J. pdf  doi
openurl 
  Title The colour of silver stained glass : analytical investigations carried out with XRF, SEM/EDX, TEM and IBA Type A1 Journal article
  Year 2002 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 17 Issue Pages 321-328  
  Keywords A1 Journal article; Art; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Glass treated on its surface with silver compounds and an aluminosilicate, such as ochre or clay, at higher temperatures (between 550 and 650 °C) accepts a wide variety of a yellow colour. It is the aim of this study to investigate the parameters of the manufacturing process affecting the final colour of silver stained glass and to correlate them with the final colour and colour intensity. Therefore, defined mixtures of ochre and a silver compound (AgCl, AgNO3, Ag2SO4, Ag3PO4, Ag2O) were prepared and applied on soda-lime glass. The firing process was modified within the range from 563 to 630 °C and glass samples were analysed after treatment with energy dispersive X-ray fluorescence analysis (EDXRF), scanning electron microscopy (SEM/EDX), transmission electron microscopy (TEM), as well as ion beam analysis (IBA) with an external beam. Within the scope of IBA simultaneous measurements using particle-induced X-ray emission (PIXE), particle-induced gamma-ray emission (PIGE), and Rutherford backscattering spectrometry (RBS) were carried out in order to obtain the thickness of the Ag-rich surface layer and the depth distribution of Ag. By means of TEM the microstructure of the silver particles was visualised. XRF results show that the lowest amount of Ag could be detected on glass samples treated with silver stain mixtures containing AgCl and Ag2O. A low kiln temperature (e.g. 563 °C) results in a higher silver concentration at the surface and lower penetration depths. Furthermore, the results obtained with SEM/EDX at cross-sections of the glass samples could be confirmed by PIXE, PIGE, RBS, and TEM.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000175158900001 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 42 Open Access  
  Notes Approved Most recent IF: 3.379; 2002 IF: 4.250  
  Call Number UA @ lucian @ c:irua:48775 Serial 395  
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Author Held, A.; Taylor, P.; Ingelbrecht, C.; de Bièvre, P.; Broekaert, J.; van Straaten, M.; Gijbels, R. doi  openurl
  Title 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 Type A1 Journal article
  Year 1995 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 10 Issue Pages 849-852  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1995TB75500024 Publication Date 2004-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.466 Times cited 6 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12265 Serial 671  
Permanent link to this record
 

 
Author Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D. pdf  doi
openurl 
  Title Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis Type A1 Journal article
  Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 29 Issue 2 Pages 262-271  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000329934000006 Publication Date 2013-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 18 Open Access  
  Notes Approved Most recent IF: 3.379; 2014 IF: 3.466  
  Call Number UA @ lucian @ c:irua:112897 Serial 697  
Permanent link to this record
 

 
Author Aghaei, M.; Lindner, H.; Bogaerts, A. doi  openurl
  Title Effect of a mass spectrometer interface on inductively coupled plasma characteristics : a computational study Type A1 Journal article
  Year 2012 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 27 Issue 4 Pages 604-610  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An inductively coupled plasma connected to a mass spectrometer interface (sampling cone) is computationally investigated. Typical plasma characteristics, such as gas flow velocity, plasma temperature and electron density, are calculated in two dimensions (cylindrical symmetry) and compared with and without a mass spectrometer sampling interface. The results obtained from our model compare favorably with experimental data reported in the literature. A dramatic increase in the plasma velocity is reported in the region close to the interface. Furthermore, a cooled metal interface lowers the plasma temperature and electron density on the axial channel very close to the sampling cone but the corresponding values in the off axial regions are increased. Therefore, the effect of the interface strongly depends on the measurement position. It is shown that even a small shift from the actual position of the sampler leads to a considerable change of the results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000301496700005 Publication Date 2012-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 18 Open Access  
  Notes Approved Most recent IF: 3.379; 2012 IF: 3.155  
  Call Number UA @ lucian @ c:irua:97386 Serial 791  
Permanent link to this record
 

 
Author Aghaei, M.; Lindner, H.; Bogaerts, A. pdf  doi
openurl 
  Title The effect of the sampling cone position and diameter on the gas flow dynamics in an ICP Type A1 Journal article
  Year 2013 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 28 Issue 9 Pages 1485-1492  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An inductively coupled plasma, connected to a sampling cone of a mass spectrometer, is computationally investigated. The effects of the sampler orifice diameter (ranging from 1 to 2 mm) and distance of the sampler cone from the load coil (ranging from 7 to 17 mm) are studied. An increase in sampler orifice diameter leads to a higher central plasma temperature at the place of the sampler, as well as more efficient gas transfer through the sampler, by reducing the interaction of the plasma gas with the sampling cone. However, the flow velocity at the sampler position is found to be independent of the sampler orifice diameter. Moreover, by changing the sampler orifice diameter, we can control whether only the central gas or also the auxiliary gas can exit through the sampler. Finally, with the increasing distance of the sampler from the load coil, the plasma temperature at the place of the sampler decreases slightly, which might also have consequences for the ion generation and transport through the sampling cone.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000322922300016 Publication Date 2013-06-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.379; 2013 IF: 3.396  
  Call Number UA @ lucian @ c:irua:109204 Serial 848  
Permanent link to this record
 

 
Author Martens, T.; Bogaerts, A.; Brok, W.J.M.; van der Mullen, J.J.A.M. doi  openurl
  Title Modeling study on the influence of the pressure on a dielectric barrier discharge microplasma Type A1 Journal article
  Year 2007 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 22 Issue 9 Pages 1003-1042  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000248917300013 Publication Date 2007-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.379; 2007 IF: 3.269  
  Call Number UA @ lucian @ c:irua:64791 Serial 2140  
Permanent link to this record
 

 
Author Aghaei, M.; Flamigni, L.; Lindner, H.; Günther, D.; Bogaerts, A. pdf  doi
openurl 
  Title Occurrence of gas flow rotational motion inside the ICP torch : a computational and experimental study Type A1 Journal article
  Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 29 Issue 2 Pages 249-261  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract An inductively coupled plasma, connected to the sampling cone of a mass spectrometer, is computationally investigated. The occurrence of rotational motion of the auxiliary and carrier gas flows is studied. The effects of operating parameters, i.e., applied power and gas flow rates, as well as geometrical parameters, i.e., sampler orifice diameter and injector inlet diameter, are investigated. Our calculations predict that at higher applied power the auxiliary and carrier gas flows inside the torch move more forward to the sampling cone, which is validated experimentally for the auxiliary gas flow, by means of an Elan 6000 ICP-MS. Furthermore, an increase of the gas flow rates can also modify the occurrence of rotational motion. This is especially true for the carrier gas flow rate, which has a more pronounced effect to reduce the backward motion than the flow rates of the auxiliary and cooling gas. Moreover, a larger sampler orifice (e.g., 2 mm instead of 1 mm) reduces the backward flow of the auxiliary gas path lines. Finally, according to our model, an injector inlet of 2 mm diameter causes more rotations in the carrier gas flow than an injector inlet diameter of 1.5 mm, which can be avoided again by changing the operating parameters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000329934000005 Publication Date 2013-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 21 Open Access  
  Notes Approved Most recent IF: 3.379; 2014 IF: 3.466  
  Call Number UA @ lucian @ c:irua:112896 Serial 2427  
Permanent link to this record
 

 
Author Gamez, G.; Bogaerts, A.; Hieftje, G.M. doi  openurl
  Title Temporal and spatially resolved laser-scattering plasma diagnostics for the characterization of a ms-pulsed glow discharge Type A1 Journal article
  Year 2006 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 21 Issue Pages 350-359  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000235990200015 Publication Date 2006-01-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.379; 2006 IF: 3.630  
  Call Number UA @ lucian @ c:irua:56539 Serial 3503  
Permanent link to this record
 

 
Author Aghaei, M.; Bogaerts, A. url  doi
openurl 
  Title Particle transport through an inductively coupled plasma torch: elemental droplet evaporation Type A1 Journal article
  Year 2016 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 31 Issue 31 Pages 631-641  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We studied the transport of copper droplets through an inductively coupled plasma, connected to the sampling cone of a mass spectrometer, by means of a computational model. The sample droplets are followed until they become evaporated. They are inserted as liquid particles from the central inlet and the effects of injection position (i.e. “on” and “off” axis), droplet diameter, as well as mass loading flow rate are investigated. It is shown that more “on-axis” injection of the droplets leads to a more straight path line, so that the droplets move less in the radial direction and are evaporated more on the central axis, enabling a better sample transfer efficiency to the sampler cone. Furthermore, there are optimum ranges of diameters and flow rates, which guarantee the proper position of evaporation along the torch, i.e. not too early, so that the sample can get lost in the torch, and not too late, which reduces the chance of becoming ionized before reaching the sampler.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372857300003 Publication Date 2015-07-07  
  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 21 Open Access  
  Notes The authors are very grateful to H. Lindner for the many fundamental and fruitful discussions. They are also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO). Approved Most recent IF: 3.379  
  Call Number c:irua:133240 Serial 4024  
Permanent link to this record
 

 
Author Bogaerts, A.; Aghaei, M. pdf  url
doi  openurl
  Title Inductively coupled plasma-mass spectrometry: insights through computer modeling Type A1 Journal article
  Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 32 Issue 32 Pages 233-261  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this tutorial review paper, we illustrate how computer modeling can contribute to a better insight in inductively coupled plasma-mass spectrometry (ICP-MS). We start with a brief overview on previous efforts, studying the fundamentals of the ICP and ICP-MS, with main focus on previous modeling activities. Subsequently, we explain in detail the model that we developed in previous years, and we show typical calculation results, illustrating the plasma characteristics, gas flow patterns and the sample transport, evaporation and ionization. We also present the effect of various experimental parameters, such as operating conditions, geometrical aspects and sample characteristics, to illustrate how modeling can help to elucidate the optimal conditions for improved analytical performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395529800002 Publication Date 2016-12-07  
  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 14 Open Access OpenAccess  
  Notes The authors are very grateful to H. Lindner for the initial model development and for the many interesting discussions. They also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO; Grant number 6713). The calculations were 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: 3.379  
  Call Number PLASMANT @ plasmant @ c:irua:140074 Serial 4416  
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Author Silva, A.L.M.; Carvalho, M.L.; Janssens, K.; Veloso, J.F.C.A. pdf  doi
openurl 
  Title A large area full-field EDXRF imaging system based on a THCOBRA gaseous detector Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 30 Issue 2 Pages 343-352  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract By taking advantage of the attractive features in terms of gain, position and energy resolution of the 2D-THCOBRA detector, a new large area Full-Field X-ray Fluorescence Imaging (FF-XRFI) system for EDXRF imaging applications was developed. The proposed FF-XRFI system has an active area of 10 x 10 cm(2) and can be used to examine macroscopic samples with a moderately good energy resolution (< 1.6 keV FWHM at 8 keV) and a suitable spatial resolution (similar to 500 mu m FWHM). This combination of characteristics allows us to record elemental distribution maps from the surface of different sample types by combining image and energy information. Two different approaches were used for X-ray optics, one based on a single pinhole and another based on a parallel multiple-hole collimator. To illustrate the system capabilities, some sample examples were imaged and studied.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000349145700003 Publication Date 2014-10-24  
  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 11 Open Access  
  Notes ; The authors thank Stijn Legrand for acquisition of the MAXRF maps shown in Fig. 15. This work was partially supported by projects CERN/FP/123604/2011 FEDER, COMPETE and FCT (Lisbon) programs. A. L. M. Silva is supported by the QREN programme Mais Centro – Programa Operacional Regional do Centro, FEDER and COMPETE, through the project Biomaterials for Regenerative Medicine (CENTRO-07-ST24-FEDER-002030). ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125297 Serial 5452  
Permanent link to this record
 

 
Author Alfeld, M.; Pedroso, J.V.; van Hommes, M.E.; van der Snickt, G.; Tauber, G.; Blaas, J.; Haschke, M.; Erler, K.; Dik, J.; Janssens, K. pdf  doi
openurl 
  Title A mobile instrument for in situ scanning macro-XRF investigation of historical paintings Type A1 Journal article
  Year 2013 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 28 Issue 5 Pages 760-767  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Scanning macro-X-ray fluorescence analysis (MA-XRF) is rapidly being established as a technique for the investigation of historical paintings. The elemental distribution images acquired by this method allow for the visualization of hidden paint layers and thus provide insight into the artist's creative process and the painting's conservation history. Due to the lack of a dedicated, commercially available instrument the application of the technique was limited to a few groups that constructed their own instruments. We present the first commercially available XRF scanner for paintings, consisting of an X-ray tube mounted with a Silicon-Drift (SD) detector on a motorized stage to be moved in front of a painting. The scanner is capable of imaging the distribution of the main constituents of surface and sub-surface paint layers in an area of 80 by 60 square centimeters with dwell times below 10 ms and a lateral resolution below 100 mu m. The scanner features for a broad range of elements between Ti (Z = 22) and Mo (Z = 42) a count rate of more than 1000 counts per second (cps)?mass percent and detection limits of 100 ppm for measurements of 1 s duration. Next to a presentation of spectrometric figures of merit, the value of the technique is illustrated through a case study of a painting by Rembrandt's student Govert Flinck (1615-1660).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317674200019 Publication Date 2013-03-22  
  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 106 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents the results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. M. Alfeld receives a Ph. D. fellowship of the Research Foundation-Flanders (FWO). We thank J. Langerock for allowing us to examine the portable altar triptych shown in Fig. 5. ; Approved Most recent IF: 3.379; 2013 IF: 3.396  
  Call Number UA @ admin @ c:irua:108517 Serial 5453  
Permanent link to this record
 

 
Author Rouchon, V.; Pellizzi, E.; Duranton, M.; Vanmeert, F.; Janssens, K. doi  openurl
  Title Combining XANES, ICP-AES, and SEM/EDS for the study of phytate chelating treatments used on iron gall ink damaged manuscripts Type A1 Journal article
  Year 2011 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 26 Issue 12 Pages 2434-2441  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Many historical documents written with iron gall inks are endangered by the corrosive effects of these inks. In this work, a combination of complementary analytical methods was used for the first time in order to study the phytate process which is used in conservation studios to stabilize damaged manuscripts. This process consists of an antioxidant treatment performed by means of a calcium phytate (CP) solution, followed by a deacidification treatment performed with a calcium carbonate (CC) solution. The antioxidant treatment capitalizes on the properties of myo-inositol hexaphosphoric acid (phytic acid) that inhibits iron through chelation. In order to use relatively low acidic solutions, the pH of the CP solution is increased up to values between 5 and 6, which is in the range of the CP precipitation threshold. This study was performed on laboratory samples made of paper impregnated with iron gall ink and artificially aged in climatic chambers. It aims to investigate how the CP precipitate impacts the efficiency of the treatment. Side effects, such as elemental losses and deposits, were measured by means of several analytical techniques (FeK Edge XANES, SEM/EDS, and ICP-AES). These measurements were crosschecked with a ready to use colour spot test made of bathophenanthroline impregnated paper. It appeared that the CP treatment should necessarily be followed by the deacidification treatment in order to achieve long term stability. The precipitation of CP in the treating solution does finally not impact the efficiency of the treatment despite the fact that it should theoretically lower the availability of phytate to chelate iron. A scenario is proposed to explain this point.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000297030400008 Publication Date 2011-10-06  
  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 10 Open Access  
  Notes ; This research was funded by SOLEIL (proposals 20060396 and 20080761) and was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. We are thankful to the paper conservator students of the Institut National du Patrimoine who were involved in some of the sample preparations, and to Dr Dominique Thiaudiere and Dr Solenn Reguer for their assistance and help during the experiments performed at SOLEIL beamline “DIFFABS”. ; Approved Most recent IF: 3.379; 2011 IF: 3.220  
  Call Number UA @ admin @ c:irua:93845 Serial 5527  
Permanent link to this record
 

 
Author Vermeulen, M.; Sanyova, J.; Janssens, K.; Nuyts, G.; De Meyer, S.; De Wael, K. url  doi
openurl 
  Title The darkening of copper- or lead-based pigments explained by a structural modification of natural orpiment : a spectroscopic and electrochemical study Type A1 Journal article
  Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 32 Issue 7 Pages 1331-1341  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A combined Raman and electrochemical study of natural orpiment (As2S3), an arsenic sulfide pigment, was used to assess the quick formation of oxidized species such as arsenic oxide (As2O3) upon exposing the pigment to 405 nm or 532 nm monochromatic light while simultaneously recording the Raman spectra of the exposed sample. During this process, a distortion of the main band at 355 cm−1, associated with the stretching of the AsS3/2 pyramids of natural orpiment, was observed as well as an increased intensity of the 359 cm−1 band, corresponding to covalent AsAs bonds in natural orpiment. The distortion was accompanied by an overall decrease of the global Raman signal for natural orpiment, which could be explained by a loss in the crystal structure. The same phenomena were recorded in reference natural orpiment model paint samples stored for a long time together with verdigris (Cu(OH)2·(CH3COO)2·5H2O) and minium (Pb3O4) paints, the latter two appearing darkened on their sides closest to the orpiment sample as well as in several historical samples containing natural orpiment mixed with various blue pigments. By SEM-EDX and XRPD analysis, respectively on loose material and cast thin-sections of model paint samples, the darkening was identified as dark sulfide species such as chalcocite (Cu2S) and galena (PbS), suggesting the release of volatile sulfide or related species by the natural orpiment paint. XANES analyses of paint samples presenting AsAs bond increase indicated the presence of sulfur species most likely identified as organosulfur compounds formed upon the AsAs bond formation and explained the darkening of the Cu- and Pb-based pigments. To the best of our knowledge, this article reports for the first time the light-induced formation of AsAs bonds in natural orpiment used as an artists' pigment and objectively demonstrates the incompatibility between orpiment and (arsenic) sulfide-sensitive pigments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404998500007 Publication Date 2017-05-31  
  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 10 Open Access  
  Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). We gratefully acknowledge Julie Arslanoglu (Conservation and Scientific Research Department at the Metropolitan Museum of Art, New York, USA) for providing us the orpiment, verdigris and minium mock-up samples. We gratefully acknowledge the Paul Scherrer Institut, Villigen, Switzerland and the German Electron Synchrotron (DESY) for provision of synchrotron radiation beamtimes at respectively beamlines of the SLS and Petra III. ; Approved Most recent IF: 3.379  
  Call Number UA @ admin @ c:irua:144384 Serial 5564  
Permanent link to this record
 

 
Author Cagno, S.; Nuyts, G.; Bugani, S.; De Vis, K.; Schalm, O.; Caen, J.; Helfen, L.; Cotte, M.; Reischig, P.; Janssens, K. doi  openurl
  Title Evaluation of manganese-bodies removal in historical stained glass windows via SR-\mu-XANES/XRF and SR-\mu-CT Type A1 Journal article
  Year 2011 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 26 Issue 12 Pages 2442-2451  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The speed and effectiveness of a conservation treatment used for stained glass windows have been investigated. Dark-coloured Mn-rich stains can be found in the alteration layer of ancient glass artefacts and cause the surface to turn brown/black: this phenomenon is known as Mn-browning or Mn-staining. While in glass manganese is present in the +II or +III oxidation states, in the Mn-rich bodies, manganese is in a higher oxidation state (+IV). In restoration practice, mildly reducing solutions are employed to eliminate the dark colour and restore the clear appearance of the glass. In this paper the effectiveness and side effects of the use of hydroxylamine hydrochloride for this purpose are assessed. Archaeological fragments of stained glass windows, dated to the 14th century and originating from Sidney Sussex College, Cambridge (UK), were examined by means of synchrotron radiation (SR) based microscopic X-ray Absorption Near-Edge Spectroscopy (μ-XANES) and microscopic X-Ray Fluorescence (μ-XRF) and with high resolution computed absorption tomography (μ-CT) before, during and after the treatment. The monitoring of the glass fragments during the treatment allows us to better understand the manner in which the process unfolds and its kinetics. The results obtained reveal that the hydroxylamine hydrochloride treatment is effective, but also that it has a number of unwanted side effects. These findings are useful for optimizing the time and other modalities of the Mn-reducing treatment as well as minimizing its unwanted results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000297030400009 Publication Date 2011-10-11  
  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 17 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Special thanks to Ms Leonie Seliger, head of the stained-glass conservation studio (The Cathedral Studios-The Chapter of Canterbury Cathedral) for the supply of the archaeological samples. The authors gratefully acknowledge ESRF for granting beamtime (proposal EC-602). ; Approved Most recent IF: 3.379; 2011 IF: 3.220  
  Call Number UA @ admin @ c:irua:93848 Serial 5613  
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Author Monico, L.; Janssens, K.; Alfeld, M.; Cotte, M.; Vanmeert, F.; Ryan, C.G.; Falkenberg, G.; Howard, D.L.; Brunetti, B.G.; Miliani, C. url  doi
openurl 
  Title Full spectral XANES imaging using the Maia detector array as a new tool for the study of the alteration process of chrome yellow pigments in paintings by Vincent van Gogh Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 30 Issue 3 Pages 613-626  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A combination of synchrotron radiation (SR) micro X-ray fluorescence (m-XRF) and XRF mode X-ray absorption near edge structure (XANES) measurements at the Cr K-edge already allowed us to establish that the photo-reduction of chromates to Cr(III) compounds is the cause of darkening of chrome yellow pigments (PbCr1-xSxO4, 0 <= x <= 0.8) in a number of paintings by Vincent van Gogh and in corresponding artificially aged paint models. A silicon drift detector (SDD) was employed to record the Cr-K XRF radiation in these X-ray micro beam-based measurements. However, in view of the limited count rate capabilities and collection solid angle of a single device, m-XRF and m-XANES employing single element SDDs (or similar) are primarily suited for collection of spectral data from individual points. Additionally, collection of XRF maps via point-by-point scanning with relatively long dwell times per point is possible but is usually confined to small areas. The development of the 384 silicon-diode array Maia XRF detector has provided valuable solutions in terms of data acquisition rate, allowing for full spectral (FS) XANES imaging in XRF mode, i.e., where spectroscopic information is available at each pixel in the scanned map. In this paper, the possibilities of SR Cr K-edge FS-XANES imaging in XRF mode using the Maia detector are examined as a new data collection strategy to study the speciation and distribution of alteration products of lead chromate-based pigments in painting materials. The results collected from two micro-samples taken from two Van Gogh paintings and an aged paint model show the possibility to perform FS-XANES imaging in practical time frames (from several minutes to a few hours) by scanning regions of sample sizes of the same order (more than 500 mm). The sensitivity and capabilities of FS-XANES imaging in providing representative chemical speciation information at the microscale (spatial resolution from similar to 2 to 0.6 mm) over the entire scanned area are demonstrated by the identification of Cr(OH) 3, Cr(III) sulfates and/or Cr(III) organometallic compounds in the corresponding phase maps, as alteration products. Comparable Cr-speciation results were obtained by performing equivalent higher spatial resolution SR m-XRF/single-point m-XANES analysis using a more conventional SDD from smaller regions of interest of each sample. Thus, large-area XRF mode FS-XANES imaging (Maia detector) is here proposed as a valuable and complementary data collection strategy in relation to “ zoomed-in” high-resolution m-XRF mapping and single-point m-XANES analysis (SDD).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350650800006 Publication Date 2014-12-17  
  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 28 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA), GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) project no. G.0C12.13, G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. For the grants received thanks are expressed to ESRF (experiments EC-799, EC-1051) and DESY (experiment H-20000043). Part of this research was undertaken at the XFM beamline at the Australian Synchrotron, Victoria, Australia (experiment M4604). LM acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam), Muriel Geldof (Cultural Heritage Agency of The Netherlands) and Margje Leeuwestein (Kroller-Muller Museum, Otterlo) for selecting and sharing the information on the cross-section taken from the paintings The Bedroom and Falling Leaves (Les Alyscamps). All the staff of the Van Gogh Museum and the Kroller-Muller Museum are acknowledged for their agreeable cooperation. ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125475 Serial 5628  
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Author Kempenaers, L.; Janssens, K.; Jochum, K.P.; Vincze, L.; Vekemans, B.; Somogyi, A.; Drakopoulos, M.; Adams, F. doi  openurl
  Title Micro-heterogeneity study of trace elements in USGS, MPI-DING and glass reference materials by means of synchrotron micro-XRF Type A1 Journal article
  Year 2003 Publication Journal of analytical atomic spectrometry Abbreviated Journal (down) J Anal Atom Spectrom  
  Volume 18 Issue Pages 350-357  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000181827800010 Publication Date 2003-03-27  
  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 38 Open Access  
  Notes Approved Most recent IF: 3.379; 2003 IF: 3.200  
  Call Number UA @ admin @ c:irua:41009 Serial 5715  
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