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Author | Desmet, N.; Touchant, K.; Seuntjens, P.; Tang, T.; Bronders, J. | ||||
Title | A hybrid monitoring and modelling approach to assess the contribution of sources of glyphosate and AMPA in large river catchments | Type | A1 Journal article | ||
Year | 2016 | Publication | The science of the total environment | Abbreviated Journal | |
Volume | 573 | Issue | Pages | 1580-1588 | |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Large river catchments with mixed land use capture pesticides from many sources, and degradable pesticides are converted during downstream transport. Unravelling the contribution of pesticide source and the effect of degradation processes is a challenge in such areas. However, insight and understanding of the sources is important for targeted managen-lent, especially when water is abstracted from the river for drinking water production. The river Meuse is such a case. A long-term monitoring data set was applied in a modelling approach for assessing the contribution of waste water treatment plants (WWTPs) and tributaries (sub-basins) to surface water contamination, and to evaluate the effect of decay on the downstream concentrations of glyphosate and AMPA at the point of drinking water abstraction. The results show that WWTPs are important contributors for glyphosate and AMPA in large river catchments with mixed land uses. In the studied area, the river Meuse in the Netherlands, the relative contribution of WWTP effluents is above 29% for glyphosate and around 12% for AMPA. Local industries are found to be potentially big contributors of AMPA. Glyphosate entering the river system is gradually converted to AMPA and other degradation-productions, which results in downstream loads that are considerably lower than the sum of all influxes. In summer when the travel time is longer due to lower discharge, the first order decay of glyphosate in the river Meuse is estimated to result in about 50% reduction of the downstream glyphosate concentrations over a river stretch of 250 km. The contribution of glyphosate decay to the observed AMPA concentrations ranges between 2% and 10%. Contributions are sensitive to seasonal variations in discharge that influence the concentrations through dilution and degradation. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000390071000153 | Publication Date | 2016-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:140296 | Serial | 7391 | ||
Permanent link to this record | |||||
Author | Ercolani, G.; Gorle, C.; Garcia Sánchez, C.; Corbari, C.; Mancini, M. | ||||
Title | RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer | Type | A1 Journal article | ||
Year | 2015 | Publication | Computers and fluids | Abbreviated Journal | Comput Fluids |
Volume | 123 | Issue | 123 | Pages | 54-71 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000365367500006 | Publication Date | 2015-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0045-7930 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.313 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 2.313; 2015 IF: 1.619 | |||
Call Number | UA @ lucian @ c:irua:130200 | Serial | 4236 | ||
Permanent link to this record | |||||
Author | Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. | ||||
Title | Rippling, buckling, and melting of single- and multilayer MoS2 | Type | A1 Journal article | ||
Year | 2015 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 91 | Issue | 91 | Pages | 014101 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multilayer (ML) molybdenum disulfide (MoS2). The amplitude of the intrinsic ripples of SL MoS2 are found to be smaller than those exhibited by graphene (GE). Furthermore, because of the van der Waals interaction between layers, the out-of-plane thermal fluctuations of ML MoS2 decreases rapidly with increasing number of layers. This trend is confirmed by the buckling transition due to uniaxial stress which occurs for a significantly larger applied tension as compared to graphene. For SL MoS2, the melting temperature is estimated to be 3700 K which occurs through dimerization followed by the formation of small molecules consisting of two to five atoms. When different types of vacancies are inserted in the SL MoS2 it results in a decrease of both the melting temperature as well as the stiffness. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000347921300001 | Publication Date | 2015-01-05 | |
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 | 40 | Open Access | |
Notes | ; This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Foundation of the Flemish Government. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. We would like to thanks Prof. Douglas E. Spearot [26] for giving us the implemented parameters of Mo-S in LAMMPS. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
Call Number | c:irua:123834 | Serial | 2909 | ||
Permanent link to this record | |||||
Author | Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. | ||||
Title | Thermal properties of fluorinated graphene | Type | A1 Journal article | ||
Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 87 | Issue | 10 | Pages | 104114-104116 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114 | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000316933500002 | Publication Date | 2013-03-29 | |
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 | 80 | Open Access | |
Notes | ; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
Call Number | UA @ lucian @ c:irua:108495 | Serial | 3629 | ||
Permanent link to this record | |||||
Author | Alexiades, V.; Autrique, D. | ||||
Title | Enthalpy model for heating, melting, and vaporization in laser ablation | Type | A1 Journal article | ||
Year | 2010 | Publication | Electronic journal of differential equations | Abbreviated Journal | |
Volume | Issue | Pages | 1-13 | ||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu) target in a helium (He) background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model that connects the thermodynamics and underlying kinetics of this challenging phase change problem in a selfconsistent way. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000455668500001 | Publication Date | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1072-6691 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:190550 | Serial | 7925 | ||
Permanent link to this record | |||||
Author | Teodorescu, V.S.; Nistor, L.C.; van Landuyt, J.; Dinescu, M. | ||||
Title | TEM study of laser induced phase transition in iron thin films | Type | A1 Journal article | ||
Year | 1994 | Publication | Materials research bulletin | Abbreviated Journal | Mater Res Bull |
Volume | 29 | Issue | 1 | Pages | 63-71 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Laser induced phase transition from b.c.c.(alpha) to f.c.c.(gamma) iron thin films is studied by high resolution TEM. The iron film has been covered on both sides with carbon layers to protect it against oxidation. Single pulse, tau FWHM = 20ns KrF (lambda = 248nm) excimer laser irradiation was performed in air with the film on the substrate. The laser pulse acts like a heat pulse followed by a rapid quenching revealing sequential aspects of the phase transition process. The presence of a fine mixture of the alpha + gamma phases between the alpha and gamma regions of the film has been interpreted as an incomplet transformation. The results are explained by assuming that the transformation took place via a phonon drag mechanism. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1994ML03000008 | Publication Date | 2003-06-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0025-5408; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.288 | Times cited | 2 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:99945 | Serial | 3488 | ||
Permanent link to this record | |||||
Author | Wouters, L.; Bernard, P.; Van Grieken, R. | ||||
Title | Characterization of individual estuarine and marine particles by LAMMA and EPXMA | Type | A1 Journal article | ||
Year | 1988 | Publication | International journal of environmental analytical chemistry | Abbreviated Journal | |
Volume | 34 | Issue | 1 | Pages | 17-29 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser microprobe mass analysis (LAMMA) was applied to particulate matter from the Atlantic Ocean. Inferring information about the surface layer by LAMMA was not probe X-ray microanalysis (EPXMA). Geochemically relevant groups of particles had been identified by EPXMA and cluster analysis. For both locations, the most abundant ones appeared to be those rich in silicon and the alumino-silicates. Afterwards LAMMA was applied to obtain more information about the trace element composition and surface characteristics. The iron-rich phase appeared to contain significant amounts of heavy metals and of phosphate. Lead appeared to be associated in detectable amounts with alumino-silicates in the Scheldt but not with those in the Atlantic Ocean. Inferring information about the surface layer by LAMMA was not always unambiguous. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | A1988Q274200002 | Publication Date | 2007-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0306-7319 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:116577 | Serial | 7624 | ||
Permanent link to this record | |||||
Author | Bruynseels, F.; Storms, H.; Tavares, T.; Van Grieken, R. | ||||
Title | Characterization of individual particle types in coastal air by laser microprobe mass analysis | Type | A1 Journal article | ||
Year | 1985 | Publication | International journal of environmental analytical chemistry | Abbreviated Journal | |
Volume | 23 | Issue | 1 | Pages | 1-14 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser Microprobe Mass Analysis (LAMMA) was used in a preliminary study to characterize aerosol particles from a beach and inland sites and from a heavily industrialized area. As many as six types of both positive and negative mass spectra with different inorganic and organic signals could be distinguished in the different particle size ranges. Information about the elemental composition and the speciation of S and N was obtained. With increasing distance from sea, progressive uptake of nitrate in seasalt particles was found. Complex particles, containing soot and organic ammonium sulfate, were also detected. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | A1985AZE1800001 | Publication Date | 2007-07-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0306-7319 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:116575 | Serial | 7626 | ||
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Author | Vandeputte, D.F.; Van Grieken, R.E.; Foets, B.J.J.; Misotten, L. | ||||
Title | Characterization of the spheroliths present in primary atypical bandkeratopathy using laser microprobe mass analysis | Type | A1 Journal article | ||
Year | 1989 | Publication | Biomedical and environmental mass spectrometry | Abbreviated Journal | |
Volume | 18 | Issue | 9 | Pages | 753-756 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser microprobe mass analysis was applied to study the chemical composition of spheroliths in the Bowman's membrane of patients suffering from primary atypical bandkeratopathy. The inclusions appear to consist mainly of calcium phosphate. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2005-05-29 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0887-6134 | ISBN | Additional Links | UA library record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:116824 | Serial | 7635 | ||
Permanent link to this record | |||||
Author | Bruynseels, F.J.; Van Grieken, R.E. | ||||
Title | Molecular ion distributions in laser microprobe mass-spectrometry of calcium-oxide and calcium salts | Type | A1 Journal article | ||
Year | 1983 | Publication | Spectrochimica acta: part B : atomic spectroscopy | Abbreviated Journal | |
Volume | 38 | Issue | 5-6 | Pages | 853-858 |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser Microprobe Mass Spectrometry (LAMMA) is used to examine micrometric particles of calcium oxyanion salts (CaCO3, CaSO4, CaSO4·2H2O) and calcium oxide, in both the positive and negative ion mode. The major molecular ions, appearing in the positive mass spectrum, can be divided into three series, namely CamOm-1+, (CaO)m+ and (CaO)mH+ (m = 1-4). In the case of the former two series the relative intensities of the mass peaks as a function of the fragment valence K = (1 + 2n)/m, for CamOn+, can be fitted to a Gaussian distribution curve, as was earlier demonstrated for secondary ion mass spectrometry. The high stability of the (CaO)mH+ series can be explained by the favourable fragment valence of +2 corresponding to the usual oxidation state of calcium. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | A1983QY80000019 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0584-8547; 1873-3565 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:113626 | Serial | 8273 | ||
Permanent link to this record | |||||
Author | Struyf, H.; van Vaeck, L.; Kennis, P.; Gijbels, R.; van Grieken, R. | ||||
Title | Chemical characterization of neo-ceramic powders by time-of-flight and Fourier transform laser microprobe mass spectrometry | Type | A1 Journal article | ||
Year | 1996 | Publication | Rapid communications in mass spectrometry | Abbreviated Journal | Rapid Commun Mass Sp |
Volume | 10 | Issue | 6 | Pages | 699-706 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Laser microprobe mass spectrometry (LMMS) aims at the identification of local organic and inorganic constituents at the surface of solids, The low mass resolution capabilities of the initially used time-of-flight (TOF) mass spectrometers have often proved to be insufficient for identification, Therefore, high mass resolution Fourier transform (ET) LMMS was developed, Neo-ceramic powders with oxide or carbide coatings were analyzed by both FT LMMS and TOF LMMS, The data are useful to compare the analytical information gained from both methods, Analytical results of these samples by electron microprobe x-ray analysis (EPXMA) and secondary ion mass spectrometry (SIMS) are discussed to assess the place of FT LMMS and TOF LMMS in the spectrum of microanalytical techniques. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1996UJ50200016 | Publication Date | 2002-09-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0951-4198;1097-0231; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.253 | Times cited | 11 | Open Access | |
Notes | Approved | ||||
Call Number | UA @ lucian @ c:irua:12363 | Serial | 346 | ||
Permanent link to this record | |||||
Author | Verbueken, A.H.; Van Grieken, R.E.; de Broe, M.E.; Wedeen, R.P. | ||||
Title | Identification of inorganic and organic microliths in kidney sections by laser microprobe mass spectrometry | Type | A1 Journal article | ||
Year | 1987 | Publication | Analytica chimica acta | Abbreviated Journal | |
Volume | 195 | Issue | Pages | 97-115 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) | ||||
Abstract | Laser microprobe mass spectrometry is used to identify intrarenal microliths; they appear to consist of either oxalate, urate or phosphate. Crystalline and amorphous deposits in rat and human kidney are pin-pointed by the laser beam and their chemical composition determined by mass spectrometry. The method has the potential for wide application in the identification of single organic, inorganic or combination crystals in histological sections. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | A1987K019500009 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2670; 1873-4324 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:116448 | Serial | 8055 | ||
Permanent link to this record | |||||
Author | Mueller, G.; Stahnke, F.; Bleiner, D. | ||||
Title | Fast steel-cleanness characterization by means of laser-assisted plasma spectrometric methods | Type | A1 Journal article | ||
Year | 2006 | Publication | Talanta : the international journal of pure and applied analytical chemistry T2 – 34th Colloquium Spectroscopicum Internationale, SEP 04-09, 2005, Univ Antwerp, Antwerp, BELGIUM | Abbreviated Journal | Talanta |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Laser-assisted plasma spectrometry is a palette of analytical techniques (L-OES, LA-ICP-MS) capable of fast spatially-resolved elemental analysis in the micrometer range. For fast estimation of the occurrence in steel samples of non-metallic inclusions, which degrade the material's technical properties, simultaneous OES detection and sequential ICP-MS detection were compared. Histograms were obtained for the intensity distribution of the acquired signals (laser pulse statistics). The skewness coefficient of the histograms for Al (indicator of non-metallic inclusions) was found to be clearly dependent on the fraction of non-metallic inclusions in the case of scanning L-OES. For LA-ICP-MS less clear dependence was observed, which was influenced by the acquisition characteristics. In fact, less measurement throughput limited for LA-ICP-MS the counting statistics to an extent that overrides the benefit of higher detection power as compared to L-OES. (c) 2006 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Pergamon | Place of Publication | Oxford | Editor | |
Language | Wos | 000242871900015 | Publication Date | 2006-07-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0039-9140; 1873-3573 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.162 | Times cited | 12 | Open Access | |
Notes | Approved | Most recent IF: 4.162; 2006 IF: 2.810 | |||
Call Number | UA @ lucian @ c:irua:103122 | Serial | 4518 | ||
Permanent link to this record | |||||
Author | Savchenko, T.M.; Buzzi, M.; Howald, L.; Ruta, S.; Vijayakumar, J.; Timm, M.; Bracher, D.; Saha, S.; Derlet, P.M.; Béché, A.; Verbeeck, J.; Chantrell, R.W.; Vaz, C.A.F.; Nolting, F.; Kleibert, A. | ||||
Title | Single femtosecond laser pulse excitation of individual cobalt nanoparticles | Type | A1 Journal article | ||
Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 20 | Pages | 205418 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Laser-induced manipulation of magnetism at the nanoscale is a rapidly growing research topic with potential for applications in spintronics. In this work, we address the role of the scattering cross section, thermal effects, and laser fluence on the magnetic, structural, and chemical stability of individual magnetic nanoparticles excited by single femtosecond laser pulses. We find that the energy transfer from the fs laser pulse to the nanoparticles is limited by the Rayleigh scattering cross section, which in combination with the light absorption of the supporting substrate and protective layers determines the increase in the nanoparticle temperature. We investigate individual Co nanoparticles (8 to 20 nm in size) as a prototypical model system, using x-ray photoemission electron microscopy and scanning electron microscopy upon excitation with single femtosecond laser pulses of varying intensity and polarization. In agreement with calculations, we find no deterministic or stochastic reversal of the magnetization in the nanoparticles up to intensities where ultrafast demagnetization or all-optical switching is typically reported in thin films. Instead, at higher fluences, the laser pulse excitation leads to photo-chemical reactions of the nanoparticles with the protective layer, which results in an irreversible change in the magnetic properties. Based on our findings, we discuss the conditions required for achieving laser-induced switching in isolated nanomagnets. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000589602000005 | Publication Date | 2020-11-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.7 | Times cited | 1 | Open Access | OpenAccess |
Notes | This work received funding by the Swiss National Foundation (SNF) (Grants No. 200021160186 and No. 2002153540), the Swiss Nanoscience Institute (SNI) (Grant No. SNI P1502), the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 737093 (FEMTOTERABYTE), and the COST Action CA17123 (MAGNETOFON). Part of this work was performed at the SIM beamline of the Swiss Light Source (SLS), Paul Scherrer Institut, Villigen, Switzerland. Part of the simulations were undertaken on the VIKING cluster, which is a high-performance compute facility provided by the University of York. We kindly acknowledge Anja Weber from PSI for preparation of substrates with marker structures. A.B. and Jo Verbeeck acknowledge funding through FWO Project No. G093417N (“Compressed sensing enabling low dose imaging in transmission electron microscopy”) from the Flanders Research Fund. Jo Verbeeck acknowledges funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 823717 – ESTEEM3. S.S. acknowledges ETH Zurich Post-Doctoral fellowship and Marie Curie actions for people COFUND program.; esteem3JRA; esteem3reported | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | EMAT @ emat @c:irua:174273 | Serial | 6669 | ||
Permanent link to this record | |||||
Author | Bleiner, D.; Bogaerts, A.; Belloni, F.; Nassisi, V. | ||||
Title | Laser-induced plasmas from the ablation of metallic targets: the problem of the onset temperature, and insights on the expansion dynamics | Type | A1 Journal article | ||
Year | 2007 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 101 | Issue | 8 | Pages | 083301,1-5 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Laser-induced plasmas are transient systems rapidly aging in few nanoseconds of evolution. Time-of-flight spectrometry allowed studying initial plasma characteristics based on frozen translational degrees of freedom, hence overcoming intrinsic limitations of optical spectroscopy. Experimental ion velocity distributions were reconstructed as developed during the longitudinal plasma expansion. The obtained onset plasma temperatures are in the range of similar to 18-45 eV depending on the ablated metals. Also the ion angular spreads were found to be a function of ablated metal, e.g., the narrowest for Fe, the broadest for Al, due to different collisional coupling in the plasma population. (c) 2007 American Institute of Physics. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000246072200047 | Publication Date | 2007-04-18 | |
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 | 31 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2007 IF: 2.171 | |||
Call Number | UA @ lucian @ c:irua:64635 | Serial | 1788 | ||
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Author | Sreckovic, M.Z.; Tomic, E.; Ostojic, S.M.; Ilic, J.T.; Bundaleski, N.; Sekulic, R.S.; Mlinar, V. | ||||
Title | The application of laser beam diffraction and scattering methods in the measurement of shape and determination of material parameters | Type | A1 Journal article | ||
Year | 2007 | Publication | Lasers in Engineering (Old City Publishing) | Abbreviated Journal | Laser Eng |
Volume | 17 | Issue | 3-4 | Pages | 179-196 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Lasers can be used for many applications including determination of size, in addition to the theory of diffraction and material dispersion phenomena. In this paper we calculated the corrections in angular intensity for the Gaussian and uniform particle distributions, the scattering intensity on cylindrical objects. We also evaluated the necessary mathematical summations. In addition, we analyse and Simulate the special positions of detectors using laser Doppler anemometric (LDA) methods, which can be used to determine the particle diameter. The dispersion measurements for actual fibres are given at the end. The geometric and material parameters of these fibres were taken before the evaluation of the angular scattering intensity. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0898-1507 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | 0.214 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 0.214; 2007 IF: 0.188 | |||
Call Number | UA @ lucian @ c:irua:104050 | Serial | 3571 | ||
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Author | Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Greenblatt, M. | ||||
Title | B-site ordered perovskite LaSrMnNbO6 : synthesis, structure and antiferromagnetism | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 183 | Issue | 11 | Pages | 2689-2694 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | LaSrMnNbO6 has been synthesized by high temperature solid state reaction under 1% H2/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn2+ and Nb5+ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazers tilt system a−b−c+. Upon heating, LaSrMnNbO6 decomposes at 690 °C under O2 flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at TN=8 K; the experimentally observed effective paramagnetic moment, μeff=5.76 μB for high spin Mn2+ (3d5, S=5/2) is in good agreement with the calculated value (μcalcd=5.92 μB). | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000284179800028 | Publication Date | 2010-09-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited | 13 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 2.299; 2010 IF: 2.261 | ||
Call Number | UA @ lucian @ c:irua:85805 | Serial | 212 | ||
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Author | Dooley, K.A.; Gifford, E.M.; van Loon, A.; Noble, P.; Zeibel, J.G.; Conover, D.M.; Alfeld, M.; van der Snickt, G.; Legrand, S.; Janssens, K.; Dik, J.; Delaney, J.K. | ||||
Title | Separating two painting campaigns in Saul and David, attributed to Rembrandt, using macroscale reflectance and XRF imaging spectroscopies and microscale paint analysis | Type | A1 Journal article | ||
Year | 2018 | Publication | Heritage science | Abbreviated Journal | |
Volume | 6 | Issue | 6 | Pages | 46 |
Keywords | A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | Late paintings of Rembrandt van Rijn (1606-1669) offer intriguing problems for both art historians and conservation scientists. In the research presented here, the key question addressed is whether observed stylistic differences in paint handling can be correlated with material differences. In Saul and David, in the collection of the Royal Picture Gallery Mauritshuis in The Hague, NL, the stylistic differences between the loose brushwork of Saul's cloak and the more detailed depiction of his turban and the figure of David have been associated with at least two painting stages since the late 1960s, but the attribution of each stage has been debated in the art historical literature. Stylistic evaluation of the paint handling in the two stages, based on magnified surface examination, is further described here. One of the research goals was to determine whether the stylistic differences could be further differentiated with macroscale and microscale methods of material analysis. To address this, selected areas of the painting having pronounced stylistic differences were investigated with two macroscopic chemical imaging methods, X-ray fluorescence and reflectance imaging spectroscopies. The pigments used were identified and their spatial distribution was mapped. The mapping results show that the passages rendered in more detail and associated stylistically with the first painting stage, such as the orange-red color of David's garment or the Greek key design in Saul's turban, were painted with predominately red ochre mixed with vermilion. The regions of loose, bold brushwork, such as the orange-red slashing strokes in the interior of Saul's cloak, associated with the second painting stage, were painted with predominately red ochre without vermilion. These macroscale imaging results were confirmed and extended with scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX) analysis of three cross-sections taken from regions of stylistic differences associated with the two painting stages, including one sample each from the right and left sleeve of David, and one from the interior of Saul's cloak. SEM-EDX also identified a trace component, barium sulfate, associated with the red ochre of the second stage revisions. Combining mapping information from two spectroscopic imaging methods with localized information from microscopic samples has clearly shown that the stylistic differences observed in the paint handling are affiliated with differences in the chemical composition of the paints. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000441205600001 | Publication Date | 2018-08-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 3 | Open Access | ||
Notes | ; The authors gratefully acknowledge the financial support through the NWO Science4Arts program (ReVisRembrandt Project 2012-2018) and the NSF SCI-ART program (Award 1041827). JKD acknowledges support from the Andrew W. Mellon and the Samuel H. Kress Foundations. SL is grateful for a doctoral scholarship from the Research Council of the University of Antwerp. GvdS and KJ acknowledge support from the Fund Baillet Latour. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:153119 | Serial | 5829 | ||
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Author | Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. | ||||
Title | Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study | Type | A1 Journal article | ||
Year | 2021 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
Volume | 540 | Issue | 1 | Pages | 148289 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000599883200005 | Publication Date | 2020-11-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.387 | Times cited | 1 | Open Access | Not_Open_Access |
Notes | ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; | Approved | Most recent IF: 3.387 | ||
Call Number | UA @ admin @ c:irua:174956 | Serial | 6688 | ||
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Author | Zhang, F.; Vanmeensel, K.; Batuk, M.; Hadermann, J.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J. | ||||
Title | Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation | Type | A1 Journal article | ||
Year | 2015 | Publication | Acta biomaterialia | Abbreviated Journal | Acta Biomater |
Volume | 16 | Issue | 16 | Pages | 215-222 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Latest trends in dental restorative ceramics involve the development of full-contour 3Y-TZP ceramics which can avoid chipping of veneering porcelains. Among the challenges are the low translucency and the hydrothermal stability of 3Y-TZP ceramics. In this work, different trivalent oxides (Al2O3, Sc2O3, Nd2O3 and La2O3) were selected to dope 3Y-TZP ceramics. Results show that dopant segregation was a key factor to design hydrothermally stable and high-translucent 3Y-TZP ceramics and the cation dopant radius could be used as a controlling parameter. A large trivalent dopant, oversized as compared to Zr4+, exhibiting strong segregation at the ZrO2 grain boundary was preferred. The introduction of 0.2 mol% La2O3 in conventional 0.10.25 wt.% Al2O3-doped 3Y-TZP resulted in an excellent combination of high translucency and superior hydrothermal stability, while retaining excellent mechanical properties. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | S.l. | Editor | ||
Language | Wos | 000351978600021 | Publication Date | 2015-02-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-7061; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.319 | Times cited | 54 | Open Access | |
Notes | Fwo G043110n | Approved | Most recent IF: 6.319; 2015 IF: 6.025 | ||
Call Number | c:irua:124421 | Serial | 1473 | ||
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Author | Du, C.; Hoefnagels, J.P.M.; Kolling, S.; Geers, M.G.D.; Sietsma, J.; Petrov, R.; Bliznuk, V.; Koenraad, P.M.; Schryvers, D.; Amin-Ahmadi, B. | ||||
Title | Martensite crystallography and chemistry in dual phase and fully martensitic steels | Type | A1 Journal article | ||
Year | 2018 | Publication | Materials characterization | Abbreviated Journal | Mater Charact |
Volume | 139 | Issue | Pages | 411-420 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lath martensite is important in industry because it is the key strengthening component in many advanced high strength steels. The study of crystallography and chemistry of lath martensite is extensive in the literature, however, mostly based on fully martensitic steels. In this work, lath martensite in dual phase steels is investigated with a focus on the substructure identification of the martensite islands and microstructural bands using electron backscattered diffraction, and on the influence of the accompanied tempering process during industrial coating process on the distribution of alloying elements using atom probe tomography. Unlike findings for the fully martensitic steels, no martensite islands with all 24 Kurdjumov-Sachs variants have been observed. Almost all martensite islands contain only one main packet with all six variants and minor variants from the remaining three packets of the same prior austenite grain. Similarly, the martensite bands are typically composed of connected domains originating from prior austenite grains, each containing one main packets (mostly with all variants) and few separate variants. The effect of tempering at similar to 450 degrees C (due to the industrial zinc coating process) has also been investigated. The results show a strong carbon partitioning to lath boundaries and Cottrell atmospheres at dislocation core regions due to the thermal process of coating. In contrast, auto-tempering contributes to the carbon redistribution only in a limited manner. The substitutional elements are all homogenously distributed. The phase transformation process has two effects on the material: mechanically, the earlier-formed laths are larger and softer and therefore more ductile (as revealed by nanoindentation); chemically, due to the higher dislocation density inside the later-formed laths, which are generally smaller, carbon Cottrell atmospheres are predominantly observed. | ||||
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Publisher | Place of Publication | New York | Editor | ||
Language | Wos | 000431469300044 | Publication Date | 2018-03-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1044-5803 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.714 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 2.714 | |||
Call Number | UA @ lucian @ c:irua:151554 | Serial | 5033 | ||
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Author | Prabhakara, V.; Jannis, D.; Guzzinati, G.; Béché, A.; Bender, H.; Verbeeck, J. | ||||
Title | HAADF-STEM block-scanning strategy for local measurement of strain at the nanoscale | Type | A1 Journal article | ||
Year | 2020 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 219 | Issue | Pages | 113099 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lattice strain measurement of nanoscale semiconductor devices is crucial for the semiconductor industry as strain substantially improves the electrical performance of transistors. High resolution scanning transmission electron microscopy (HR-STEM) imaging is an excellent tool that provides spatial resolution at the atomic scale and strain information by applying Geometric Phase Analysis or image fitting procedures. However, HR-STEM images regularly suffer from scanning distortions and sample drift during image acquisition. In this paper, we propose a new scanning strategy that drastically reduces artefacts due to drift and scanning distortion, along with extending the field of view. It consists of the acquisition of a series of independent small subimages containing an atomic resolution image of the local lattice. All subimages are then analysed individually for strain by fitting a nonlinear model to the lattice images. The method allows flexible tuning of spatial resolution and the field of view within the limits of the dynamic range of the scan engine while maintaining atomic resolution sampling within the subimages. The obtained experimental strain maps are quantitatively benchmarked against the Bessel diffraction technique. We demonstrate that the proposed scanning strategy approaches the performance of the diffraction technique while having the advantage that it does not require specialized diffraction cameras. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000594768500006 | Publication Date | 2020-09-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.2 | Times cited | 4 | Open Access | OpenAccess |
Notes | A.B. D.J. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. J.V acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. The Qu-Ant-EM microscope and the direct electron detector used in the diffraction experiments was partly funded by the Hercules fund from the Flemish Government. This project has received funding from the GOA project “Solarpaint” of the University of Antwerp. GG acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek – Vlaanderen (FWO). Special thanks to Dr. Thomas Nuytten, Prof. Dr. Wilfried Vandervorst, Dr. Paola Favia, Dr. Olivier Richard from IMEC, Leuven and Prof. Dr. Sara Bals from EMAT, Antwerp for their continuous support and collaboration with the project and to the IMEC processing group for the device fabrication. | Approved | Most recent IF: 2.2; 2020 IF: 2.843 | ||
Call Number | EMAT @ emat @c:irua:172485 | Serial | 6404 | ||
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Author | Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. | ||||
Title | Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides | Type | A1 Journal article | ||
Year | 2023 | Publication | ACS applied electronic materials | Abbreviated Journal | |
Volume | 5 | Issue | 11 | Pages | 5852-5863 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001096792500001 | Publication Date | 2023-10-26 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:201198 | Serial | 9026 | ||
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Author | Osella, S.; Knippenberg, S. | ||||
Title | Laurdan as a molecular rotor in biological environments | Type | A1 Journal article | ||
Year | 2019 | Publication | ACS applied bio materials | Abbreviated Journal | |
Volume | 2 | Issue | 12 | Pages | 5769-5778 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000616372300047 | Publication Date | 2019-11-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2576-6422 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:180356 | Serial | 8166 | ||
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Author | Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H. | ||||
Title | Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion | Type | A1 Journal article | ||
Year | 2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
Volume | 55 | Issue | 55 | Pages | 7079-7089 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000380181400035 | Publication Date | 2016-07-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.857 | Times cited | 12 | Open Access | |
Notes | Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; | Approved | Most recent IF: 4.857 | ||
Call Number | EMAT @ emat @ c:irua:140848 | Serial | 4424 | ||
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Author | Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A. | ||||
Title | Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries | Type | A1 Journal article | ||
Year | 2023 | Publication | ACS applied energy materials | Abbreviated Journal | ACS Appl. Energy Mater. |
Volume | 6 | Issue | 13 | Pages | 6956-6971 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001018266700001 | Publication Date | 2023-07-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access: Available from 24.12.2023 | |
Notes | Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 6.4; 2023 IF: NA | ||
Call Number | EMAT @ emat @c:irua:198160 | Serial | 8809 | ||
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Author | Paulus, A.; Hendrickx, M.; Bercx, M.; Karakulina, O.M.; Kirsanova, M.A.; Lamoen, D.; Hadermann, J.; Abakumov, A.M.; Van Bael, M.K.; Hardy, A. | ||||
Title | An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | |
Volume | 49 | Issue | 30 | Pages | 10486-10497 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Layered Li-rich/Mn-rich NMC (LMR-NMC) is characterized by high initial specific capacities of more than 250 mA h g(-1), lower cost due to a lower Co content and higher thermal stability than LiCoO2. However, its commercialisation is currently still hampered by significant voltage fade, which is caused by irreversible transition metal ion migration to emptied Li positionsviatetrahedral interstices upon electrochemical cycling. This structural change is strongly correlated with anionic redox chemistry of the oxygen sublattice and has a detrimental effect on electrochemical performance. In a fully charged state, up to 4.8 Vvs.Li/Li+, Mn4+ is prone to migrate to the Li layer. The replacement of Mn4+ for an isovalent cation such as Sn4+ which does not tend to adopt tetrahedral coordination and shows a higher metal-oxygen bond strength is considered to be a viable strategy to stabilize the layered structure upon extended electrochemical cycling, hereby decreasing voltage fade. The influence of Sn4+ on the voltage fade in partially charged LMR-NMC is not yet reported in the literature, and therefore, we have investigated the structure and the corresponding electrochemical properties of LMR-NMC with different Sn concentrations. We determined the substitution limit of Sn4+ in Li1.2Ni0.13Co0.13Mn0.54-xSnxO2 by powder X-ray diffraction and transmission electron microscopy to be x approximate to 0.045. The limited solubility of Sn is subsequently confirmed by density functional theory calculations. Voltage fade for x= 0 andx= 0.027 has been comparatively assessed within the 3.00 V-4.55 V (vs.Li/Li+) potential window, from which it is concluded that replacing Mn4+ by Sn4+ cannot be considered as a viable strategy to inhibit voltage fade within this window, at least with the given restricted doping level. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000555330900018 | Publication Date | 2020-07-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0300-9246; 1477-9226; 1472-7773 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4 | Times cited | Open Access | OpenAccess | |
Notes | ; The authors acknowledge Research Foundation Flanders (FWO) project number G040116N for funding. The authors are grateful to Dr Ken Elen and Greet Cuyvers (imo-imomec, UHasselt and imec) for respectively preliminary PXRD measurements and performing ICP-AES on the monometal precursors. Dr Dmitry Rupasov (Skolkovo Institute of Science and Technology) is acknowledged for performing TGA measurements on the metal sulfate precursors. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. ; | Approved | Most recent IF: 4; 2020 IF: 4.029 | ||
Call Number | UA @ admin @ c:irua:171149 | Serial | 6450 | ||
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Author | Khoeini, F.; Shakouri; Peeters, F.M. | ||||
Title | Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering | Type | A1 Journal article | ||
Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 94 | Issue | 94 | Pages | 125412 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000383238800009 | Publication Date | 2016-09-09 | |
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 | 38 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:137130 | Serial | 4360 | ||
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Author | Bhatia, H.; Martin, C.; Keshavarz, M.; Dovgaliuk, I.; Schrenker, N.J.; Ottesen, M.; Qiu, W.; Fron, E.; Bremholm, M.; Van de Vondel, J.; Bals, S.; Roeffaers, M.B.J.; Hofkens, J.; Debroye, E. | ||||
Title | Deciphering the role of water in promoting the optoelectronic performance of surface-engineered lead halide perovskite nanocrystals | Type | A1 Journal article | ||
Year | 2023 | Publication | ACS applied materials and interfaces | Abbreviated Journal | |
Volume | 15 | Issue | 5 | Pages | 7294-7307 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lead halide perovskites are promising candidates for applicability is limited by their structural instability toward moisture. Although a deliberate addition of water to the precursor solution has recently been shown to improve the crystallinity and optical properties of perovskites, the corresponding thin films still do not exhibit a near-unity quantum yield. Herein, we report that the direct addition of a minute amount of water to post-treated substantially enhances the stability while achieving a 95% photoluminescence quantum yield in a NC thin film. We unveil the mechanism of how moisture assists in the formation of an additional NH4Br component. Alongside, we demonstrate the crucial role of moisture in assisting localized etching of the perovskite crystal, facilitating the partial incorporation of NH4+, which is key for improved performance under ambient conditions. Finally, as a proof-of-concept, the application of post-treated and watertreated perovskites is tested in LEDs, with the latter exhibiting a superior performance, offering opportunities toward commercial application in moisture-stable optoelectronics. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000931729400001 | Publication Date | 2023-01-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.5 | Times cited | 3 | Open Access | Not_Open_Access |
Notes | H.B. would like to express her sincere gratitude to Dr. Peter Erk (formerly BASF SE, Germany) for very insightful discussions. The authors acknowledge financial support from the Research Foundation-Flanders (FWO grant numbers S002019N, 1514220N, G.0B39.15, G.0B49.15, G098319N, and ZW15_09-GOH6316) , the KU Leuven Research Fund (C14/19/079, iBOF-21-085 PERSIST, and STG/21/010) , the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) , the Hercules Founda-tion (HER/11/14) , and the ERC through the Marie Curie ITN iSwitch Ph.D. fellowship to H.B. (grant number 642196) . C.M. acknowledges the financial support from grants PID2021-128761OA-C22 funded by MCIN/AEI/10.13039/501100011033 by the ?European Union? and SBPLY/21/180501/000127 funded by JCCM and by the EU through Fondo Europeo de Desarollo Regional? (FEDER) . Martin Bremholm and Martin Ottesen acknowledge funding from the Danish Council for Independent Research, Natural Sciences, under the Sapere Aude program (grant no. 7027-00077B) and VILLUM FONDEN through the Centre of Excellence for Dirac Materials (grant no. 11744) . Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged.-N.J.S. acknowledges financial support from the research foundation Flanders (FWO) through a postdoctoral fellowship (FWO grant no. 1238622N) . S.B. acknowledges financial support from the European Commission by the ERC Consolidator grant REALNANO (no. 815128) . | Approved | Most recent IF: 9.5; 2023 IF: 7.504 | ||
Call Number | UA @ admin @ c:irua:195375 | Serial | 7293 | ||
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Author | Mushtaq, A.; Pradhan, B.; Kushavah, D.; Zhang, Y.; Wolf, M.; Schrenker, N.; Fron, E.; Bals, S.; Hofkens, J.; Debroye, E.; Pal, S.K. | ||||
Title | Third-Order Nonlinear Optical Properties and Saturation of Two-Photon Absorption in Lead-Free Double Perovskite Nanocrystals under Femtosecond Excitation | Type | A1 Journal article | ||
Year | 2021 | Publication | Acs Photonics | Abbreviated Journal | Acs Photonics |
Volume | 8 | Issue | 11 | Pages | 3365-3374 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lead halide perovskites have been widely explored in the field of photovoltaics, light-emitting diodes, and lasers due to their outstanding linear and nonlinear optical (NLO) properties. But, the presence of lead toxicity and low chemical stability remain serious concerns. Lead-free double perovskite with excellent optical properties and chemical stability could be an alternative. However, proper examination of the NLO properties of such a material is crucial to identify their utility for future nonlinear device applications. Herein, we have made use of femtosecond (fs) Z-scan technique to explore the NLO properties of Cs2AgIn0.9Bi0.1Cl6 nanocrystals (NCs). Our measurements suggest that under nonresonant fs excitation, perovskite NCs exhibit strong twophoton absorption (TPA). The observed saturation of TPA at high light intensities has been explained by a customized model. Furthermore, we have demonstrated a change in the nonlinear refractive index of the NCs under varying input intensities. The strong TPA absorption of lead-free double perovskite NCs could be used for Kerr nonlinearity-based nonlinear applications such as optical shutters for picosecond lasers. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000757024100028 | Publication Date | 2021-11-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2330-4022 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.756 | Times cited | 25 | Open Access | OpenAccess |
Notes | A.M. is thankful to IIT Mandi for his fellowship and Advanced Materials Research Centre for the experimental facilities. A.M. is also thankful to Torbjörn Pascher (Pascher Instrument) for writing the Z-scan data acquisition program. J.H. acknowledges financial support from the Research Foundation-Flanders (FWO, Grant No. G983.19N, G0A5817N, and G0H6316N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). B.P. acknowledges postdoctoral fellowship from the Research Foundation- Flanders (FWO Grant No. 1275521N). D.K. acknowledges the financial support from Science and Engineering Research Board (Grant No. PDF/2018/003146), India. N.J.S. acknowledges financial support from the Research Foundation- Flanders via a postdoctoral fellowship (FWO Grant No. 1238622N). | Approved | Most recent IF: 6.756 | ||
Call Number | EMAT @ emat @c:irua:184249 | Serial | 6832 | ||
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