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	Author	Saiz, F.; Karaaslan, Y.; Rurali, R.; Sevik, C.
	Title	Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics			Type	A1 Journal article
	Year	2021	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
	Volume	129	Issue	15	Pages	155105
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present here a new interatomic potential parameter set to predict the thermal conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is parameterized using data collected with first-principles calculations. We use non-equilibrium molecular dynamics simulations to predict the thermal conductivity. The generated parameters result in very good agreement in structural, mechanical, and dynamical parameters. The room temperature lattice thermal conductivity ( kappa) of the considered crystal is predicted to be kappa x x = 25.69Wm – 1K – 1 and kappa y y = 42.38Wm – 1K – 1, which both agree well with their corresponding first-principles values with a discrepancy of less than 5%. Moreover, the calculated kappa variation with temperature (200 and 400 K) are comparable within the framework of the accuracy of both first-principles and molecular dynamics simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000641993600001	Publication Date	2021-04-19
	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:178234			Serial	8112
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	Author	Sun, J.; Li, Y.; Karaaslan, Y.; Sevik, C.; Chen, Y.
	Title	Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces			Type	A1 Journal article
	Year	2021	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
	Volume	130	Issue	3	Pages	035301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000694725800001	Publication Date	2021-07-15
	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	Not_Open_Access
	Notes				Approved	Most recent IF: 2.068
	Call Number	UA @ admin @ c:irua:181623			Serial	8254
Permanent link to this record



	Author	Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M.
	Title	On the electrostatic control achieved in transistors based on multilayered MoS₂ : a first-principles study			Type	A1 Journal article
	Year	2017	Publication	Journal of applied physics	Abbreviated Journal
	Volume	121	Issue	4	Pages	044505
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000393480100030	Publication Date	2017-01-26
	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		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:152673			Serial	8329
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	Author	Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M.
	Title	A perspective on the state-of-the-art functionalized 2D materials			Type	A1 Journal article
	Year	2023	Publication	Journal of applied physics	Abbreviated Journal
	Volume	134	Issue	12	Pages	120901-120929
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001087770500008	Publication Date
	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		Open Access
	Notes				Approved	Most recent IF: 3.2; 2023 IF: 2.068
	Call Number	UA @ admin @ c:irua:201281			Serial	9000
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	Author	Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M.
	Title	Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions			Type	A1 Journal article
	Year	2023	Publication	Journal of applied physics	Abbreviated Journal
	Volume	134	Issue	22	Pages	224301-224307
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001135684400003	Publication Date	2023-12-11
	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	3.2	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.2; 2023 IF: 2.068
	Call Number	UA @ admin @ c:irua:202777			Serial	9069
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	Author	Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C.
	Title	The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research			Type	A1 Journal article
	Year	2023	Publication	Journal of applied physics	Abbreviated Journal
	Volume	133	Issue	15	Pages	150902-150937
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001079329000001	Publication Date	2023-04-27
	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		Open Access
	Notes				Approved	Most recent IF: 3.2; 2023 IF: 2.068
	Call Number	UA @ admin @ c:irua:200351			Serial	9105
Permanent link to this record



	Author	Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U.
	Title	The role of carbon monoxide in the catalytic synthesis of endohedral carbyne			Type	A1 Journal article
	Year	2023	Publication	Journal of applied physics	Abbreviated Journal
	Volume	134	Issue	14	Pages	144303-144307
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Ni-n@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001083993400003	Publication Date	2023-10-10
	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
	Impact Factor	3.2	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.2; 2023 IF: 2.068
	Call Number	UA @ admin @ c:irua:201233			Serial	9106
Permanent link to this record



	Author	Salman, O.U.; Finel, A.; Delville, R.; Schryvers, D.
	Title	The role of phase compatibility in martensite			Type	A1 Journal article
	Year	2012	Publication	Journal of applied physics T2 – 22nd International Symposium on Integrated Functionalities (ISIF), JUN 13-16, 2010, San Juan, PR	Abbreviated Journal	J Appl Phys
	Volume	111	Issue	10	Pages	103517
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of martensite can have a compatible (exact) interface with the austenite for some special lattice parameters in contrast to conventional austenite/twinned martensite interface with a transition layer. Experimentally, the phase compatibility results in a dramatic drop in thermal hysteresis and gives rise to very stable functional properties over cycling. Here, we investigate the microstructures observed in Ti50Ni50-xPdx alloys that undergo a cubic to orthorhombic martensitic transformation using a three-dimensional phase field approach. We will show that the simulation results are in very good agreement with transmission electron microscopy observations. However, the understanding of the drop in thermal hysteresis requires the coupling of phase transformation with plastic activity. We will discuss this point within the framework of thermoelasticity, which is a generic feature of the martensitic transformation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4712629]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000305363700053	Publication Date	2012-05-21
	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	11	Open Access
	Notes				Approved	Most recent IF: 2.068; 2012 IF: 2.210
	Call Number	UA @ lucian @ c:irua:100310			Serial	2919
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	Author	Rezaei, M.; Saey, T.; Seuntjens, P.; Joris, I.; Boenne, W.; Van Meirvenne, M.; Cornelis, W.
	Title	Predicting saturated hydraulic conductivity in a sandy grassland using proximally sensed apparent electrical conductivity			Type	A1 Journal article
	Year	2016	Publication	Journal of applied geophysics	Abbreviated Journal
	Volume	126	Issue		Pages	35-41
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Finding a correspondence between soil hydraulic properties, such as saturated hydraulic conductivity (Ks) and apparent electrical conductivity (ECa) as an easily measurable parameter, may be a way forward to estimate the spatial distribution of hydraulic properties at the field scale. In this study, the spatial distributions of Ks, of soil ECa measured by a DUALEM-21S sensor and of soil physical properties were investigated in a sandy grassland. To predict field scale Ks, the statistical relationship between co-located soil Ks, and EMI-ECa was evaluated. Results demonstrated the large spatial variability of all studied properties with Ks being the most variable one (CV = 86.21%) followed by ECa (CV >= 53.77%). A significant negative correlation was found between In-transformed Ks and ECa (r = 0.83; P <= 0.01) at two depths of exploration (0-50 and 0-100 cm). This site specific relation between In Ks and ECa was used to predict saturated hydraulic conductivity over 0-50 cm depth for the whole field. The empirical relation was validated using an independent dataset of measured Ks. The statistical results demonstrate the robustness of this empirical relation with mean estimation error MEE = 0.46 (cm h(-1)), root-mean-square estimation errors RMSEE = 0.74 (cm h(-1)), coefficient of determination r(2) = 0.67 and coefficient of model efficiency Ce = 0.64. The relationship was then used to produce a detailed map of Ks for the whole field. The result will allow model predictions of spatially distributed water content in view of irrigation management. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000371361200004	Publication Date	2016-01-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-9851	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:132349			Serial	8403
Permanent link to this record



	Author	Pacquets, L.; Irtem, E.; Neukermans, S.; Daems, N.; Bals, S.; Breugelmans, T.
	Title	Size-controlled electrodeposition of Cu nanoparticles on gas diffusion electrodes in methanesulfonic acid solution			Type	A1 Journal article
	Year	2020	Publication	Journal Of Applied Electrochemistry	Abbreviated Journal	J Appl Electrochem
	Volume	51	Issue	2	Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	In this paper electrodeposition is used to obtain Cu nanoparticles, as it allows good control over particle size and distribution. These Cu particles were deposited onto a gas diffusion electrode which increased the resulting surface area. Prior to deposition, the surface was pre-treated with NaOH, HNO3, MQ and TX100 to investigate the influence on the electrodeposition of Cu on the gas diffusion electrode (GDE). When using HNO3, the smallest particles with the most homogeneous distribution and high particle roughness were obtained. Once the optimal substrate was determined, we further demonstrated that by altering the electrodeposition parameters, the particle size and density could be tuned. On the one hand, increasing the nucleation potential led to a higher particle density resulting in smaller particles because of an increased competition between particles. Finally, the Cu particle size increased when applying a greater growth charge and growth potential. This fundamental study thus opens up a path towards the synthesis of supported Cu materials with increased surface areas, which is interesting from a catalytic point of view. Larger surface areas are generally correlated with a better catalyst performance and thus higher product yields. This research can contributed in obtaining new insides into the deposition of metallic nanoparticles on rough surfaces. [GRAPHICS] .
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000568651000001	Publication Date	2020-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-891x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.9	Times cited	3	Open Access	OpenAccess
	Notes	; L. Pacquets was supported through a PhD fellowship strategic basic research (1S56918N) of the Research Foundation-Flanders (FWO). N. Daems was supported through a postdoctoral fellowship (12Y3919N-ND) of the Research Foundation-Flanders (FWO). S. Neukermans was supported through an FWO project grant (G093317N). This research was financed by the research counsel of the university of Antwerp (BOF-GOA 33928). The authors recognize the contribution of Thomas Kenis for analytical validation and methodology. ;			Approved	Most recent IF: 2.9; 2020 IF: 2.235
	Call Number	UA @ admin @ c:irua:171588			Serial	6603
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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.;
	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	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	de Nolf, W.; Vanmeert, F.; Janssens, K.
	Title	XRDUA : crystalline phase distribution maps by two-dimensional scanning and tomographic (micro) X-ray powder diffraction			Type	A1 Journal article
	Year	2014	Publication	Journal of applied crystallography	Abbreviated Journal
	Volume	47	Issue	3	Pages	1107-1117
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Imaging of crystalline phase distributions in heterogeneous materials, either plane projected or in virtual cross sections of the object under investigation, can be achieved by scanning X-ray powder diffraction employing X-ray micro beams and X-ray-sensitive area detectors. Software exists to convert the two-dimensional powder diffraction patterns that are recorded by these detectors to one-dimensional diffractograms, which may be analysed by the broad variety of powder diffraction software developed by the crystallography community. However, employing these tools for the construction of crystalline phase distribution maps proves to be very difficult, especially when employing micro-focused X-ray beams, as most diffraction software tools have mainly been developed having structure solution in mind and are not suitable for phase imaging purposes. XRDUA has been developed to facilitate the execution of the complete sequence of data reduction and interpretation steps required to convert large sequences of powder diffraction patterns into a limited set of crystalline phase maps in an integrated fashion.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000336738500031	Publication Date	2014-05-28
	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	62	Open Access
	Notes	; The authors would like to thank the synchrotron beamline staff at ID15 (ESRF, Grenoble, France), MicroXAS (SLS, Villigen, Switzerland) and PO6/BL-L (Petra III/Hasylab, Hamburg, Germany) for accommodating the experiments presented in this paper. Support from FWO 'Big Science' project G0C1213N as well as from the BELSPO project 'S2ART' (SD/RI/04A) is acknowledged. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:117758			Serial	5920
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	Author	Leinders, G.; Grendal, O.G.; Arts, I.; Bes, R.; Prozheev, I.; Orlat, S.; Fitch, A.; Kvashnina, K.; Verwerft, M.
	Title	Refinement of the uranium dispersion corrections from anomalous diffraction			Type	A1 Journal Article
	Year	2024	Publication	Journal of Applied Crystallography	Abbreviated Journal	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	Eliaerts, J.; Meert, N.; Dardenne, P.; Baeten, V.; Pierna, J.-A.F.; Van Durme, F.; De Wael, K.; Samyn, N.
	Title	Comparison of spectroscopic techniques combined with chemometrics for cocaine powder analysis			Type	A1 Journal article
	Year	2020	Publication	Journal Of Analytical Toxicology	Abbreviated Journal	J Anal Toxicol
	Volume	44	Issue	8	Pages	851-860
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Spectroscopic techniques combined with chemometrics are a promising tool for analysis of seized drug powders. In this study, the performance of three spectroscopic techniques [Mid-InfraRed (MIR), Raman and Near-InfraRed (NIR)] was compared. In total, 364 seized powders were analyzed and consisted of 276 cocaine powders (with concentrations ranging from 4 to 99 w%) and 88 powders without cocaine. A classification model (using Support Vector Machines [SVM] discriminant analysis) and a quantification model (using SVM regression) were constructed with each spectral dataset in order to discriminate cocaine powders from other powders and quantify cocaine in powders classified as cocaine positive. The performances of the models were compared with gas chromatography coupled with mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID). Different evaluation criteria were used: number of false negatives (FNs), number of false positives (FPs), accuracy, root mean square error of cross-validation (RMSECV) and determination coefficients (R-2). Ten colored powders were excluded from the classification data set due to fluorescence background observed in Raman spectra. For the classification, the best accuracy (99.7%) was obtained with MIR spectra. With Raman and NIR spectra, the accuracy was 99.5% and 98.9%, respectively. For the quantification, the best results were obtained with NIR spectra. The cocaine content was determined with a RMSECV of 3.79% and a R-2 of 0.97. The performance of MIR and Raman to predict cocaine concentrations was lower than NIR, with RMSECV of 6.76% and 6.79%, respectively and both with a R-2 of 0.90. The three spectroscopic techniques can be applied for both classification and quantification of cocaine, but some differences in performance were detected. The best classification was obtained with MIR spectra. For quantification, however, the RMSECV of MIR and Raman was twice as high in comparison with NIR. Spectroscopic techniques combined with chemometrics can reduce the workload for confirmation analysis (e.g., chromatography based) and therefore save time and resources.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000606735000011	Publication Date	2020-08-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0146-4760; 1945-2403	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.5	Times cited		Open Access
	Notes				Approved	Most recent IF: 2.5; 2020 IF: 2.409
	Call Number	UA @ admin @ c:irua:175117			Serial	7697
Permanent link to this record



	Author	Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R.
	Title	Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt			Type	A1 Journal article
	Year	2012	Publication	Journal of analytical sciences, methods and instrumentation	Abbreviated Journal
	Volume	2	Issue	1	Pages	42-47
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb..
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2012-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2164-2745; 2164-2753	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:102567			Serial	8232
Permanent link to this record



	Author	Kuczumov, A.; Vekemans, B.; Schalm, O.; Dorriné, W.; Chevallier, P.; Dillmann, P.; Ro, C.-U.; Janssens, K.; Van Grieken, R.
	Title	Analyses of petrified wood by electron, X-ray and optical microprobes			Type	A1 Journal article
	Year	1999	Publication	Journal of analytical atomic spectroscopy	Abbreviated Journal
	Volume	14	Issue		Pages	435-446
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000079138500016	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:22889			Serial	5466
Permanent link to this record



	Author	Deraedt, I.; Janssens, K.; Veeckman, J.
	Title	Compositional distinctions between 16th century “Façon-de-Venise” and Venetian glass vessels, excavated in Antwerp, Belgium			Type	A1 Journal article
	Year	1999	Publication	Journal of analytical atomic spectroscopy	Abbreviated Journal
	Volume	14	Issue		Pages	483-498
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000079138500026	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:22887			Serial	5546
Permanent link to this record



	Author	Janssens, K.
	Title	Special issue: Proceedings of the 15th International Congress on X-ray Optics and Microanalysis			Type	A3 Journal article
	Year	1999	Publication	Journal of analytical atomic spectroscopy	Abbreviated Journal
	Volume	14	Issue		Pages	357-537
	Keywords	A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:22885			Serial	5840
Permanent link to this record



	Author	Bogaerts, A.
	Title	The afterglow mystery of pulsed glow discharges and the role of dissociative electron-ion recombination			Type	A1 Journal article
	Year	2007	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	22	Issue		Pages	502-512
	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	000246889200012	Publication Date	2007-04-18
	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	56	Open Access
	Notes				Approved	Most recent IF: 3.379; 2007 IF: 3.269
	Call Number	UA @ lucian @ c:irua:63859			Serial	81
Permanent link to this record



	Author	van Straaten, M.; Swenters, K.; Gijbels, R.; Verlinden, J.; Adriaenssens, E.
	Title	Analysis of platinum powder by glow discharge mass spectrometry			Type	A1 Journal article
	Year	1994	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	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	Bogaerts, A.; Gijbels, R.
	Title	Argon and copper optical emission spectra in a Grimm glow discharge source: mathematical simulations and comparison with experiment			Type	A1 Journal article
	Year	1998	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	13	Issue		Pages	721-726
	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	000075385700006	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	25	Open Access
	Notes				Approved	Most recent IF: 3.379; 1998 IF: 3.845
	Call Number	UA @ lucian @ c:irua:24127			Serial	149
Permanent link to this record



	Author	Bogaerts, A.; Gijbels, R.
	Title	Calculation of cathode heating in analytical glow discharges			Type	A1 Journal article
	Year	2004	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	19	Issue		Pages	1206-1212
	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	000223738000020	Publication Date	2004-09-07
	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; 2004 IF: 3.926
	Call Number	UA @ lucian @ c:irua:47647			Serial	264
Permanent link to this record



	Author	Bogaerts, A.; Okhrimovskyy, A.; Gijbels, R.
	Title	Calculation of the gas flow and its effect on the plasma characteristics for a modified Grimm-type glow discharge cell			Type	A1 Journal article
	Year	2002	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	17	Issue		Pages	1076-1082
	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	000177766400012	Publication Date	2002-09-09
	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	39	Open Access
	Notes				Approved	Most recent IF: 3.379; 2002 IF: 4.250
	Call Number	UA @ lucian @ c:irua:40191			Serial	270
Permanent link to this record



	Author	de Vyt, A.; Gijbels, R.; Davock, H.; van Roost, C.; Geuens, I.
	Title	Characterization of Ag_xAu_y nano particles by TEM and STEM			Type	A1 Journal article
	Year	1999	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	14	Issue		Pages	499-504
	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	000079138500027	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	2	Open Access
	Notes				Approved	Most recent IF: 3.379; 1999 IF: 3.677
	Call Number	UA @ lucian @ c:irua:24927			Serial	334
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.
	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	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
Permanent link to this record



	Author	Bogaerts, A.; Gijbels, R.
	Title	Computer simulation of an analytical direct current glow discharge in argon: influence of the cell dimensions on the plasma quantities			Type	A1 Journal article
	Year	1997	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	12	Issue		Pages	751-759
	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	A1997XM00600009	Publication Date	0000-00-00
	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				Approved	Most recent IF: 3.379; 1997 IF: 3.595
	Call Number	UA @ lucian @ c:irua:19605			Serial	464
Permanent link to this record



	Author	Bogaerts, A.
	Title	Computer simulations of argon-hydrogen Grimm-type glow discharges			Type	A1 Journal article
	Year	2008	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	23	Issue		Pages	1476-1486
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Computer simulations have been performed to describe the effect of small admixtures of hydrogen to an argon glow discharge in the Grimm-type configuration. The two-dimensional density profiles of the various plasma species (i.e., electrons, Ar+, ArH+, H+, H2+ and H3+ ions, H atoms and H2 molecules, Ar metastable atoms and sputtered Cu atoms) are presented for 1% H2 added to the argon glow discharge, and the effect of different H2 additions (varying between 0.1 and 10%) on the species densities, the hydrogen dissociation degree, and the sputtering process, are investigated. Finally, the relative contributions of various production and loss processes for the different plasma species are calculated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000260309700002	Publication Date	2008-10-23
	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	23	Open Access
	Notes				Approved	Most recent IF: 3.379; 2008 IF: 4.028
	Call Number	UA @ lucian @ c:irua:70950			Serial	468
Permanent link to this record



	Author	Bleiner, D.; Bogaerts, A.
	Title	Computer simulations of laser ablation sample introduction for plasma-source elemental microanalysis			Type	A1 Journal article
	Year	2006	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	21	Issue	11	Pages	1161-1174
	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	000241568200005	Publication Date	2006-09-14
	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	22	Open Access
	Notes				Approved	Most recent IF: 3.379; 2006 IF: 3.630
	Call Number	UA @ lucian @ c:irua:60157			Serial	471
Permanent link to this record



	Author	Held, A.; Taylor, P.; Ingelbrecht, C.; de Bièvre, P.; Broekaert, J.; van Straaten, M.; Gijbels, R.
	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	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.
	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	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

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