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Gasparotto, A.; Maccato, C.; Carraro, G.; Sada, C.; Štangar, U.L.; Alessi, B.; Rocks, C.; Mariotti, D.; La Porta, A.; Altantzis, T.; Barreca, D. |
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Title |
Surface Functionalization of Grown-on-Tip ZnO Nanopyramids: From Fabrication to Light-Triggered Applications |
Type |
A1 Journal Article |
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Year |
2019 |
Publication |
Acs Applied Materials & Interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
11 |
Issue |
17 |
Pages |
15881-15890 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
We report on a combined chemical vapor deposition (CVD)/radio frequency (RF) sputtering synthetic strategy for the controlled surface modification of ZnO nanostructures by Ti-containing species. Specifically, the proposed approach consists in the CVD of grown-on-tip ZnO nanopyramids, followed by titanium RF sputtering under mild conditions. The results obtained by a thorough characterization demonstrate the successful ZnO surface functionalization with dispersed Ti-containing species in low amounts. This phenomenon, in turn, yields a remarkable enhancement of photoactivated superhydrophilic behavior, self-cleaning ability, and photocatalytic performances in comparison to bare ZnO. The reasons accounting for such an improvement are unravelled by a multitechnique analysis, elucidating the interplay between material chemico-physical properties and the corresponding functional behavior. Overall, the proposed strategy stands as an amenable tool for the mastering of semiconductor-based functional nanoarchitectures through ad hoc engineering of the system surface. |
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Wos  |
000466988800078 |
Publication Date |
2019-04-18 |
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Edition |
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ISSN |
1944-8244 |
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Impact Factor |
7.504 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
The research leading to these results has received financial support from Padova University ACTION postdoc fellowship, DOR 2016-2018, P-DiSC #03BIRD2016-UNIPD projects, and HERALD COST Action MP1402-37831. The support from EPSRC (awards EP/R008841/1 and EP/M024938/1) as well as from the Slovenian Research Agency (research core funding No. P1-0134) is also recognized. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors are grateful to Dr. Sebastiano Pianta (Department of Chemical Sciences, Padova University, Italy) for experimental assistance. |
Approved |
Most recent IF: 7.504 |
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Call Number |
EMAT @ emat @ |
Serial |
5185 |
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Author |
Scarabelli, L.; Schumacher, M.; Jimenez de Aberasturi, D.; Merkl, J.‐P.; Henriksen‐Lacey, M.; Milagres de Oliveira, T.; Janschel, M.; Schmidtke, C.; Bals, S.; Weller, H.; Liz‐Marzán, L.M. |
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Title |
Encapsulation of Noble Metal Nanoparticles through Seeded Emulsion Polymerization as Highly Stable Plasmonic Systems |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
29 |
Issue |
29 |
Pages |
1809071 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The implementation of plasmonic nanoparticles in vivo remains hindered by important limitations such as biocompatibility, solubility in biological fluids, and physiological stability. A general and versatile protocol is presented, based on seeded emulsion polymerization, for the controlled encapsulation of gold and silver nanoparticles. This procedure enables the encapsulation of single nanoparticles as well as nanoparticle clusters inside a protecting polymer shell. Specifically, the efficient coating of nanoparticles of both metals is demonstrated, with final dimensions ranging between 50 and 200 nm, i.e., sizes of interest for bio-applications. Such hybrid nanocomposites display extraordinary stability in high ionic strength and oxidizing environments, along with high cellular uptake, and low cytotoxicity. Overall, the prepared nanostructures are promising candidates for plasmonic applications under biologically relevant conditions. |
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000467109100024 |
Publication Date |
2019-02-11 |
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Edition |
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ISSN |
1616-301X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
19 |
Open Access |
OpenAccess |
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Notes |
L.S. and M.S. contributed equally to this work. This work was supported by the Spanish MINECO (Grant MAT2017-86659-R), by the German Research Foundation (DFG, Grant LA 2901/1-1) and by the European Research Council (Grant 335078 COLOURATOM to S.B). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M). L.S. acknowledges funding from the American-Italian Cancer Foundation through a Post-Doctoral Research Fellowship. D.J.d.A. thanks MINECO for a Juan de la Cierva fellowship (IJCI-2015-24264). J.P.M. was financed by Verband der Chemischen Industrie e.V. (VCI). The authors thank Dr. Artur Feld, Dr. Andreas Kornowski and Stefan Werner (Institute of Physical Chemistry, University of Hamburg) for their support. |
Approved |
Most recent IF: 12.124 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:160710 |
Serial |
5190 |
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Author |
Yagmurcukardes, M.; Ozen, S.; Iyikanat, F.; Peeters, F.M.; Sahin, H. |
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Title |
Raman fingerprint of stacking order in HfS2-Ca(OH)(2) heterobilayer |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
20 |
Pages |
205405 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using density functional theory-based first-principles calculations, we investigate the stacking order dependence of the electronic and vibrational properties of HfS2-Ca(OH)(2) heterobilayer structures. It is shown that while the different stacking types exhibit similar electronic and optical properties, they are distinguishable from each other in terms of their vibrational properties. Our findings on the vibrational properties are the following: (i) from the interlayer shear (SM) and layer breathing (LBM) modes we are able to deduce the AB' stacking order, (ii) in addition, the AB' stacking type can also be identified via the phonon softening of E-g(I) and A(g)(III) modes which harden in the other two stacking types, and (iii) importantly, the ultrahigh frequency regime possesses distinctive properties from which we can distinguish between all stacking types. Moreover, the differences in optical and vibrational properties of various stacking types are driven by two physical effects, induced biaxial strain on the layers and the layer-layer interaction. Our results reveal that with both the phonon frequencies and corresponding activities, the Raman spectrum possesses distinctive properties for monitoring the stacking type in novel vertical heterostructures constructed by alkaline-earth-metal hydroxides. |
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000467387800010 |
Publication Date |
2019-05-06 |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the Project No. 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:160334 |
Serial |
5226 |
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Author |
Wang, L.; Wen, D.-Q.; Zhang, Q.-Z.; Song, Y.-H.; Zhang, Y.-R.; Wang, Y.-N. |
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Title |
Disruption of self-organized striated structure induced by secondary electron emission in capacitive oxygen discharges |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
28 |
Issue |
5 |
Pages |
055007 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Self-organized striated structure has been observed experimentally and numerically in CF4 plasmas in radio-frequency capacitively coupled plasmas recently (Liu et al 2016 Phys. Rev. Lett. 116 255002). In this work, the striated structure is investigated in a capacitively coupled oxygen discharge with the introduction of the effect from the secondary electron emission, based on a particle-in-cell/Monte Carlo collision model. As we know, the transport of positive and negative ions plays a key role in the formation of striations in electronegative gases, for which, the electronegativity needs to be large enough. As the secondary electron emission increases, electrons in the sheaths gradually contribute more ionization to the discharge. Meanwhile, the increase of the electron density, especially in the plasma bulk, leads to an increased electrical conductivity and a reduced bulk electric field, which would shield the ions' mobility. These changes result in enlarged striation gaps. And then, with more emitted electrons, obvious disruption of the striations is observed accompanied with a transition of electron heating mode. Due to the weakened field, the impact ionization in the plasma bulk is attenuated, compared with the enhanced ionization caused by secondary electrons. This would lead to the electron heating mode transition from striated (STR) mode to gamma-mode. Besides, our investigation further reveals that gamma-mode is more likely to dominate the discharge under high gas pressures or driving voltages. |
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000467827800001 |
Publication Date |
2019-04-09 |
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ISSN |
0963-0252 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
2 |
Open Access |
Not_Open_Access: Available from 13.05.2020
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Approved |
Most recent IF: 3.302 |
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Call Number |
UA @ admin @ c:irua:160365 |
Serial |
5270 |
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Author |
Dasgupta, N.; Borah, R.; Mishra, P.; Gupta, A.K.; Chhabra, R.P. |
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Combined effects of blockage and yield stress on drag and heat transfer from an in-line array of three spheres |
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A1 Journal article |
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Year |
2019 |
Publication |
Journal of dispersion science and technology |
Abbreviated Journal |
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Volume |
40 |
Issue |
6 |
Pages |
855-873 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
This work reports results on the drag and heat transfer from an in-line array of three isothermal spheres falling in a cylindrical confinement filled with Bingham plastic fluids. The effects of dimensionless parameters, such as the Reynolds number (1 ≤ Re ≤ 100), Prandtl number (1 ≤ Pr ≤ 100), Bingham number (0 ≤ Bn ≤ 100), blockage ratio (2 ≤ β ≤ 4) and sphere-to-sphere distance (1.5 ≤ t ≤ 6) have been elucidated. The flow and heat transfer characteristics were analysed in terms of yielded/unyielded regions, streamline and isotherm contours, drag coefficient, pressure coefficient, and local and average Nusselt number. Broadly, the drag coefficient shows a positive dependence on Bn and sphere-to-sphere distance (t) while it exhibits an inverse dependence on Re and β. On the other hand, the Nusselt number shows a positive dependence on Re, Pr, Bn and β; and a complex dependence on t for each sphere. Simple predictive expressions for the average Nusselt number for each sphere are formulated, thereby enabling its prediction in a new application. |
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000467844200010 |
Publication Date |
2018-12-01 |
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ISSN |
0193-2691 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:190865 |
Serial |
7680 |
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Author |
Perreault, P.; Robert, E.; Patience, G.S. |
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Title |
Experimental methods in chemical engineering : mass spectrometry – MS |
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A1 Journal article |
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Year |
2019 |
Publication |
The Canadian journal of chemical engineering |
Abbreviated Journal |
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Volume |
97 |
Issue |
5 |
Pages |
1036-1042 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Mass spectrometry identifies the atomic mass of molecules and fragments in the gas phase. The spectrometer ionizes the molecules that then pass through an electric or magnetic field towards a detector. The field modifies the molecule's trajectory and we infer mass from its direction and velocity in a static field or from the stability of its path in a dynamic field. The electric current is amplified and a mass spectrum is generated from the location or timing of the signal from the detector, translated into a plot of the intensity as a function of the mass‐over‐charge ratio. It is field deployable, measures concentrations in real time with a temporal resolution better than 100 ms, and detection limits of fg. However, the signal drifts with time so we have to calibrate it as frequently as every hour. Calibrating requires multiple mixtures with varying concentrations to map the non‐linear response. The Web of Science Core Collection indexed over 60 000 articles that refer to MS (2016 and 2017) with applications ranging from permanent gas analysis, to identifying protein, forensic science, and natural products. The bibliometric software VOSViewer(2010) identified four clusters of research related to MS: (1) proteomics, proteins, plasma, and metabolomics; (2) solid phase extraction together with gas chromatography; (3) tandem mass spectrometry and liquid chromatography; and (4) waste water and toxicity. We expect that the technique will continue to evolve with increased sensitivity, lower drift, and greater specificity. Miniaturization efforts should also continue in order to develop faster field deployable instruments. |
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000468025000001 |
Publication Date |
2019-01-29 |
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0008-4034; 1939-019x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:162123 |
Serial |
7947 |
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Author |
MacLennan, D.; Trentelman, K.; Szafran, Y.; Woollett, A.T.; Delaney, J.K.; Janssens, K.; Dik, J. |
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Title |
Rembrandt's An Old Man in Military Costume : combining hyperspectral and MA-XRF imaging to understand how two paintings were painted on a single panel |
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A1 Journal article |
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Year |
2019 |
Publication |
Journal of the American Institute for Conservation |
Abbreviated Journal |
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Volume |
58 |
Issue |
1-2 |
Pages |
54-68 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Over the past several decades the painting An Old Man in Military Costume by Rembrandt Harmensz van Rijn (ca. 1630-31; J. Paul Getty Museum, 78.PB.246) has been the subject of a number of investigations carried out in order to better visualize a second painting beneath the surface figure. The underlying image – the head and shoulders of a man wearing a cloak – is oriented 180 degrees from the upper image and appears to be fairly complete. Scanning macro x-ray fluorescence (XRF) spectroscopy reveals the face is painted with lead white and a mercury-containing pigment (likely vermilion), and the cloak is painted with a copper-containing pigment. Following the revelation and digital color reconstruction of the underlying figure, a number of questions still remained. Here, through the use of infrared reflectance imaging spectroscopy (i.e., hyperspectral imaging) and macro-XRF imaging spectroscopy, together with cross-sections taken from targeted areas, the sequence of painting in both compositions was explored. Of particular interest was the discovery of evidence of multiple attempts to situate the lower figure, and the subsequent application of a blocking-out layer over the lower figure before the artist rotated the panel and executed the upper figure. In addition, examination of the placement of the two images on the panel adds to our understanding of the subtle complexities of Rembrandt's working process. RESUMEAu cours des dernieres decennies, la peinture Le vieil homme en costume militaire de Rembrandt Harmensz van Rijn (ca. 1630-31; J. Paul Getty Museum, 78.PB.246) a fait l'objet de nombreuses investigations menees dans le but de mieux visualiser une seconde peinture dissimulee sous la surface. L'image sous-jacente – la tete et les epaules d'un homme vetu d'une cape – est orientee a 180 degres de de l'image du vieil homme, et elle semble assez complete. La spectroscopie a macro-balayage de fluorescence X (MA-XRF) revele que le visage est peint avec du blanc de plomb et un pigment contenant du mercure (comme le vermillon), et que la cape est peinte avec un pigment a base de cuivre. Plusieurs questions restaient en suspens suite a cette decouverte et a la reconstruction numerique en couleur de l'image sous-jacente. Grace a l'emploi de techniques d'imagerie comme la spectroscopie proche infrarouge (ex., imagerie hyperspectrale) et l'imagerie MA-XRF, combinees a l'analyse de coupes stratigraphiques prelevees a des endroits cibles, on a pu explorer la sequence d'application des couches picturales de chacune des deux compositions. Une decouverte particulierement interessante est la preuve que l'artiste a fait plusieurs tentatives pour positionner la figure sous-jacente puis, a ensuite applique une couche pour la recouvrir completement avant de faire pivoter le panneau et peindre la figure du vieil homme. De plus, l'examen du positionnement des deux images sur le panneau ajoute a notre comprehension de la subtile complexite du processus de creation de Rembrandt. Traduit par Elisabeth Forest. RESUMONas ultimas decadas, a pintura Um Velho em Traje Militar, de Rembrandt Harmensz van Rijn (ca. 1630-31; J. Paul Getty Museum, 78.PB.246), foi objeto de uma serie de investigacoes realizadas para visualizar melhor uma segunda pintura abaixo da figura aparente. A imagem subjacente – a cabeca e os ombros de um homem usando uma capa – e orientada a 180 graus da imagem superior e parece estar bastante completa. O macro mapeamento de imagem por espectroscopia de fluorescencia de raios X (FRX) revela que a face e pintada com branco de chumbo e um pigmento contendo mercurio (provavelmente vermelhAo), e a capa e pintada com um pigmento contendo cobre. Apos a descoberta e reconstrucAo digital da cor da figura subjacente, uma serie de questoes ainda permanecem. EntAo, atraves da utilizacAo do mapeamento por imagem de espectroscopia de refletancia por infravermelhos (i.e. mapeamento hiperespectral) e macro mapeamento por imagem de FRX, juntamente com cortes estratigraficos de amostras retiradas de areas de interesse, a pintura em ambas as composicoes foi explorada. De particular interesse foi a descoberta de evidencias de multiplas tentativas de posicionar a figura subjacente, e a subsequente aplicacAo de uma camada intermediaria de separacAo sobre a figura inferior antes do artista girar o painel e executar a figura superior. Alem disso, o exame da colocacAo das duas imagens no painel aumenta nossa compreensAo das sutis complexidades do processo de trabalho de Rembrandt. Traduzido por Marcia Rozzi e Beatriz Haspo. RESUMENA lo largo de las ultimas decadas, la pintura Un anciano con traje militar de Rembrandt Harmensz van Rijn (ca. 1630-31; J. Paul Getty Museum, 78.PB.246) ha sido objeto de varias investigaciones realizadas con el fin de visualizar mejor una segunda pintura debajo de la figura de la superficie. La imagen subyacente, la cabeza y los hombros de un hombre que lleva una capa, esta orientada a 180 grados de la imagen superior y parece estar bastante completa. La espectroscopia de fluorescencia de rayos X (XRF) de barrido revela que la cara esta pintada con blanco de plomo y un pigmento que contiene mercurio (probablemente bermellon), y la capa esta pintada con un pigmento que contiene cobre. Tras la revelacion y la reconstruccion digital del color de la figura subyacente, aun quedaban algunas preguntas. Aqui, por medio del uso de la espectroscopia de imagenes de reflectancia infrarroja (es decir, imagenes hiperespectrales) e imagenes macro-XRF, junto con las secciones transversales tomadas de areas especificas, se exploro la secuencia de pintura en ambas composiciones. De particular interes fue el descubrimiento de evidencia de multiples intentos de situar la figura inferior, y la aplicacion posterior de una capa de bloqueo sobre la figura inferior antes de que el artista rotara el panel y ejecutara la figura superior. Ademas, el examen de la colocacion de las dos imagenes en el panel contribuye a nuestra comprension de las sutiles complejidades del proceso de trabajo de Rembrandt. Traduccion: Amparo Rueda. |
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000468065200005 |
Publication Date |
2018-12-18 |
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ISSN |
0197-1360 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160407 |
Serial |
5811 |
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Author |
Srivastava, A.; Van Passel, S.; Laes, E. |
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Title |
Dissecting demand response : a quantile analysis of flexibility, household attitudes, and demographics |
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A1 Journal article |
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Year |
2019 |
Publication |
Energy Research and Social Science |
Abbreviated Journal |
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Volume |
52 |
Issue |
52 |
Pages |
169-180 |
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A1 Journal article; Economics; Engineering Management (ENM) |
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Demand response (DR) can aid with grid integration of renewables, ensuring security of supply, and reducing generation costs. However, not enough is known about how residential customers’ perceptions of DR shape their response to such programs. This paper offers a deeper understanding of – and reveals the heterogeneity in – this relationship by conducting a quantile regression analysis of a Belgian DR trial, combining data on response with information on household attitudes towards smart appliances. Results overall suggest that improving response requires subtle shifts in electricity consumption behaviour, which can be achieved through changes in user perceptions. Specifically, if customers are inclined to be flexible, a stronger perception of smart appliances as being beneficial can greatly improve response. With those who are less flexible, the cost of smart appliances is a bigger concern. Thus, when designing DR programs, policymakers should aim to promote modest behaviour changes – so as to minimise inconvenience – in customers, by improving awareness on the benefits of smart appliances. Uptake of such DR programs may be improved by explaining the financial benefits or offering incentives to less flexible population segments. Lastly, improving response among older population segments will require a deeper investigation into their concerns. |
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000468215900016 |
Publication Date |
2019-03-04 |
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Series Issue |
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Edition |
|
|
| |
ISSN |
2214-6296 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; This work continued on the results and data of the project Linear that was supported by the Flemish Ministry of Science and organised by the Institute for Science and Technology (IWT). The authors gratefully acknowledge the support extended by Wim Cardinaels at VITO in helping them access the underlying Linear data. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:158910 |
Serial |
6183 |
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| Permanent link to this record |
| |
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| |
|
Author |
Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. |
|
| |
Title |
A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
6 |
Issue |
3 |
Pages |
035030 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Heterostructures of low-dimensional semiconducting materials, such as transition metal dichalcogenides (MX2), are promising building blocks for future electronic and optoelectronic devices. The patterning of one MX2 material on top of another one is challenging due to their structural similarity. This prevents an intrinsic etch stop when conventional anisotropic dry etching processes are used. An alternative approach consist in a two-step process, where a sacrificial silicon layer is pre-patterned with a low damage plasma process, stopping on the underlying MoS2 film. The pre-patterned layer is used as sacrificial template for the formation of the top WS2 film. This study describes the optimization of a cyclic Ar/Cl-2 atomic layer etch process applied to etch silicon on top of MoS2, with minimal damage, followed by a selective conversion of the patterned Si into WS2. The impact of the Si atomic layer etch towards the MoS2 is evaluated: in the ion energy range used for this study, MoS2 removal occurs in the over-etch step over 1-2 layers, leading to the appearance of MoOx but without significant lattice distortions to the remaining layers. The combination of Si atomic layer etch, on top of MoS2, and subsequent Si-to-WS2 selective conversion, allows to create a WS2/MoS2 heterostructure, with clear Raman signals and horizontal lattice alignment. These results demonstrate a scalable, transfer free method to achieve horizontally individually patterned heterostacks and open the route towards wafer-level processing of 2D materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000468335500004 |
Publication Date |
2019-04-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 6.937 |
|
| |
Call Number |
UA @ admin @ c:irua:160229 |
Serial |
5266 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Heijkers, S.; Martini, L.M.; Dilecce, G.; Tosi, P.; Bogaerts, A. |
|
| |
Title |
Nanosecond Pulsed Discharge for CO2Conversion: Kinetic Modeling To Elucidate the Chemistry and Improve the Performance |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
123 |
Issue |
19 |
Pages |
12104-12116 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We study the mechanisms of CO2 conversion in a nanosecond repetitively pulsed (NRP) discharge, by means of a chemical kinetics model. The calculated conversions and energy efficiencies are in reasonable agreement with experimental results over a wide range of specific energy input values, and the same applies to the evolution of gas temperature and CO2 conversion as a function of time in the afterglow, indicating that our model provides a realistic picture of the underlying mechanisms in the NRP discharge and can be used to identify its limitations and thus to suggest further improvements. Our model predicts that vibrational excitation is very important in the NRP discharge, explaining why this type of plasma yields energy-efficient CO2 conversion. A significant part of the CO2 dissociation occurs by electronic excitation from the lower vibrational levels toward repulsive electronic states, thus resulting in dissociation. However, vibration−translation (VT) relaxation (depopulating the higher vibrational levels) and CO + O recombination (CO + O + M → CO2 + M), as well as mixing of the converted gas with fresh gas entering the plasma in between the pulses, are limiting factors for the conversion and energy efficiency. Our model predicts that extra cooling, slowing down the rate of VT relaxation and of the above recombination reaction, thus enhancing the contribution of the highest vibrational levels to the overall CO2 dissociation, can further improve the performance of the NRP discharge for energy-efficient CO2 conversion. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468368800009 |
Publication Date |
2019-05-16 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 26.04.2020
|
|
| |
Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; The authors acknowledge financial support from the Fund for Scientific Research, Flanders (FWO; Grant no. G.0383.16N). |
Approved |
Most recent IF: 4.536 |
|
| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159976 |
Serial |
5174 |
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| Permanent link to this record |
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| |
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Author |
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
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| |
Title |
C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
123 |
Issue |
19 |
Pages |
12485-12499 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Two-dimensional polyaniline with structural unit C3N is an indirect semiconductor with 0.4 eV band gap, which has attracted a lot of interest because of its unusual electronic, optoelectronic, thermal, and mechanical properties useful for various applications. Adsorption of adatoms is an effective method to improve and tune the properties of C3N. Using first-principles calculations, we investigated the adsorption of adatoms, including H, O, S, F, Cl, B, C, Si, N, P, Al, Li, Na, K, Be, Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, on C3N. Depending on the adatom size and the number of valence electrons, they may induce metallic, half-metallic, semiconducting, and ferromagnetic-metallic behavior. In addition, we investigate the effects of an electrical field, charging, and strain on C3N and found how the electronic and magnetic properties are modified. Semi- and full hydrogenation are studied. From the mechanical and thermal stability of C3N monolayer, we found it to be a hard material that can withstand large strain. From our calculations, we gained novel insights into the properties of C3N demonstrating its unique electronic and magnetic properties that can be useful for semiconducting, nanosensor, and catalytic applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468368800053 |
Publication Date |
2019-04-24 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
67 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FW0-V1). The authors thank Keyvan Nazifi from the Cluster Center of Faculty of Science, Guilan University, for his help. They acknowledge OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
UA @ admin @ c:irua:160323 |
Serial |
5196 |
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| Permanent link to this record |
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Author |
Gaetani, C.; Gheno, G.; Borroni, M.; De Wael, K.; Moretto, L.M.; Ugo, P. |
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| |
Title |
Nanoelectrode ensemble immunosensing for the electrochemical identification of ovalbumin in works of art |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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| |
Volume |
312 |
Issue |
312 |
Pages |
72-79 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
This research is aimed to the study and application of an electrochemical immunosensor for the detection of ovalbumin (OVA) from egg white (or albumen) used as a binder in some works of art, such as some historical photographic prints and tempera paintings. The immunosensor takes advantage of the interesting biodetection capabilities offered by nanoelectrode ensembles (NEEs). The NEEs used to this aim are prepared by template deposition of gold nanoelectrodes within the pores of track-etched polycarbonate (PC) membranes. The affinity of polycarbonate for proteins is exploited to capture OVA from the aqueous extract obtained by incubation in phosphate buffer of a small sample fragment (<1 mg). The captured protein is reacted selectively with anti-OVA antibody, labelled with glucose oxidase (GOx). In the case of positive response, the addition of the GOx substrate (i.e. glucose) and a suitable redox mediator (a ferrocenyl derivative) reflects in the up rise of an electrocatalytic oxidation current, which depends on the OVA amount captured on the NEE, this amount correlating with OVA concentration in the extract. After optimization, the sensor is successfully applied to identify OVA in photographic prints dating back to the late 19th century, as well as in ancient tempera paintings from the 15th and 18th centuries. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468595500008 |
Publication Date |
2019-04-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.798 |
Times cited |
2 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 4.798 |
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| |
Call Number |
UA @ admin @ c:irua:159573 |
Serial |
5743 |
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| Permanent link to this record |
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Author |
Charalampopoulou, E.; Cautaerts, N.; Van der Donck, T.; Schryvers, D.; Lambrinou, K.; Delville, R. |
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Title |
Orientation relationship of the austenite-to-ferrite transformation in austenitic stainless steels due to dissolution corrosion in contact with liquid Pb-Bi eutectic |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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| |
Volume |
167 |
Issue |
167 |
Pages |
66-70 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The orientation relationship of an austenite-to-ferrite phase transformation in 316L stainless steels induced by the loss of austenite stabilizers resulting from the steel dissolution corrosion in liquid Pb-Bi eutectic was studied by means of electron backscatter diffraction. The misorientations at the austenite/ferrite interface were compared to the prevailing orientation relationship models in steels. The Pitsch orientation relationship model was found to be predominant, which is unusual for austenite-to-ferrite bulk transformations in steels. The nature of this particular transformation, which involves loss of steel alloying elements and the presence of an interfacial liquid metal layer, is discussed to explain this finding. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468720000014 |
Publication Date |
2019-04-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1359-6462 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.747 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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| |
Notes |
; The authors would like to thank J. Joris (SCK center dot CEN) for technical support during corrosion testing, J. Lim (SCK center dot CEN) for the manufacture and calibration of the oxygen sensors used in this work and W. Van Renterghem (SCK center dot CEN) for his valuable help with the EBSD measurements. The steel suppliers were: Industeel, ArcelorMittal Group, for the 316L-SA plate, and Panchmahal Steel Ltd., India, for the 316L-CWrod. The authors gratefully acknowledge the financial support provided within the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). ; |
Approved |
Most recent IF: 3.747 |
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| |
Call Number |
UA @ admin @ c:irua:160228 |
Serial |
5257 |
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| Permanent link to this record |
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Author |
Kontogiannidou, E.; Karavasili, C.; Kouskoura, M.G.; Filippousi, M.; Van Tendeloo, G.; Andreadis, I.I.; Eleftheriadis, G.K.; Kontopoulou, I.; Markopoulou, C.K.; Bouropoulos, N.; Fatouros, D.G. |
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Title |
In vitro and ex vivo assessment of microporous Faujasite zeolite (NaX-FAU) as a carrier for the oral delivery of danazol |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of drug delivery science and technology |
Abbreviated Journal |
J Drug Deliv Sci Tec |
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| |
Volume |
51 |
Issue |
51 |
Pages |
177-184 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Microporous zeolite NaX-FAU has been systemically evaluated for the oral delivery of the poorly water-soluble compound danazol. For this purpose, danazol-loaded zeolitic particles were prepared by the incipient wetness method and were characterized by means of N-2 physisorption, X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and high-resolution transmission electron microscopy (HRTEM). The zeolitic formulation shows a high drug payload and drug stability over a period of six months under accelerated storage conditions. The dissolution profile of danazol-loaded zeolitic particles was assessed in simulated gastric fluid (SGF) pH 1.2; fasted state simulated intestinal fluids (FaSSIF) and fed state simulated intestinal fluid (FeSSIF) showing a gradual and increasing drug dissolution in the different media. Ex vivo studies using the everted gut sac model show an increased drug transport across rat intestinal epithelium when loaded in the zeolitic particles. Our results suggest that microporous Faujasite zeolite (NaX-FAU) could be used as a drug delivery system to facilitate the oral delivery of poorly water soluble compounds. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468750300018 |
Publication Date |
2019-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1773-2247; 2588-8943 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.194 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 27.08.2020
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Notes |
; This research was supported by General Secretariat for Research and Technology, Greece – Research Program “Excellence II, 4766”. The authors acknowledge financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI). ; |
Approved |
Most recent IF: 1.194 |
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| |
Call Number |
UA @ admin @ c:irua:160279 |
Serial |
5252 |
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| Permanent link to this record |
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Author |
Neyts, E.C. |
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Title |
Special Issue on future directions in plasma nanoscience |
Type |
Editorial |
| |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
|
| |
Volume |
13 |
Issue |
2 |
Pages |
199-200 |
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Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468848400001 |
Publication Date |
2019-05-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.712 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 1.712 |
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Call Number |
UA @ admin @ c:irua:160277 |
Serial |
5280 |
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| Permanent link to this record |
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Author |
Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J. |
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Title |
Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma is gaining increasing interest for cancer
treatment, but the underlying mechanisms are not yet fully
understood. Using computer simulations at the molecular
level, we try to gain better insight in how plasma-generated
reactive oxygen and nitrogen species (RONS) can
penetrate through the cell membrane. Specifically, we
compare the permeability of various (hydrophilic and
hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation,
and how it is hampered by higher concentrations of
cholesterol in the cell membrane, and we illustrate the
much higher permeability of H2O2 through aquaporin
channels. Both mechanisms may explain the selective
cytotoxic effect of plasma towards cancer cells. Finally, we
also discuss the synergistic effect of plasma-induced
oxidation and electric fields towards pore formation.
Keywords plasma medicine, cancer treatment, computer
modelling, cell membrane, reactive oxygen and nitrogen
species |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468848400004 |
Publication Date |
2019-03-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.712 |
Times cited |
5 |
Open Access |
Not_Open_Access: Available from 23.05.2020
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Notes |
We acknowledge financial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions. |
Approved |
Most recent IF: 1.712 |
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| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159977 |
Serial |
5172 |
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Author |
Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. |
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Title |
Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
|
| |
Volume |
13 |
Issue |
2 |
Pages |
324-329 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468848400009 |
Publication Date |
2019-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.712 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.712 |
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| |
Call Number |
UA @ admin @ c:irua:160278 |
Serial |
5276 |
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| Permanent link to this record |
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Author |
Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A. |
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Title |
Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Sustainable Energy & Fuels |
Abbreviated Journal |
Sustainable Energy Fuels |
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Volume |
3 |
Issue |
6 |
Pages |
1388-1395 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation. |
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Place of Publication |
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Wos |
000469258600021 |
Publication Date |
2019-02-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2398-4902 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160268 |
Serial |
5188 |
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| Permanent link to this record |
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Author |
Tunca, B.; Lapauw, T.; Delville, R.; Neuville, D.R.; Hennet, L.; Thiaudiere, D.; Ouisse, T.; Hadermann, J.; Vleugels, J.; Lambrinou, K. |
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Title |
Synthesis and Characterization of Double Solid Solution (Zr,Ti)(2)(Al,Sn)C MAX Phase Ceramics |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
58 |
Issue |
10 |
Pages |
6669-6683 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Quasi phase-pure (>98 wt %) MAX phase solid solution ceramics with the (ZryTi)(2)(Al-0.5,Sn-0.5)C stoichiometry and variable Zr/Ti ratios were synthesized by both reactive hot pressing and pressureless sintering of ZrH2, TiH2, Al, Sn, and C powder mixtures. The influence of the different processing parameters, such as applied pressure and sintering atmosphere, on phase purity and microstructure of the produced ceramics was investigated. The addition of Sn to the (Zr,Ti)(2)AlC system was the key to achieve phase purity. Its effect on the crystal structure of a 211-type MAX phase was assessed by calculating the distortions of the octahedral M6C and trigonal M(6)A prisms due to steric effects. The M(6)A prismatic distortion values were found to be smaller in Sn-containing double solid solutions than in the (Zr,Ti)(2)AlC MAX phases. The coefficients of thermal expansion along the < a > and < c > directions were measured by means of Rietveld refinement of high-temperature synchrotron X-ray diffraction data of (Zr1-x,Ti-x)(2)(Al-0.5,Sn-0.5)C MAX phase solid solutions with x = 0, 0.3, 0.7, and 1. The thermal expansion coefficient data of the Ti-2(Al-0.5,Sn-0.5)C solid solution were compared with those of the Ti2AlC and Ti2SnC ternary compounds. The thermal expansion anisotropy increased in the (Zr,Ti)(2)(Al-0.5,Sn-0.5)C double solid solution MAX phases as compared to the Zr-2(Al-0.5,Sn-0.5)C and Ti-2(Al-0.5,Sn-0.5)C end-members. |
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Wos |
000469304700014 |
Publication Date |
2019-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
; H. Roussel and D. Pinek are acknowledged for the Ti<INF>2</INF>SnC single-crystal production and high-temperature XRD measurements performed at Grenoble INP-LMGP-CMTC. This research was funded partly by the European Atomic Energy Community's (Euratom) Seventh Framework Programme FP7/2007-2013 under Grant Agreement No. 604862 (FP7MatISSE), and partly by the Euratom research and training programme 2014-2018 under Grant Agreement No. 740415 (H2020 IL TROVATORE). T.L. thanks the Agency for Innovation by Science and Technology (IWT), Flanders, Belgium, for Ph.D. Grant No. 131081. B.T. acknowledges the financial support of the SCK.CEN Academy for Nuclear Science and Technology. All authors gratefully acknowledge Synchrotron SOLEIL for the allocated time at the DIFFABS beamline in association with Project 20161410 entitled “Investigation of (Zr-Ti)-Al-C MAX phases with in-situ high-temperature XRD” and the Hercules Foundation for Project AKUL/1319 (CombiS(T)EM). ; |
Approved |
Most recent IF: 4.857 |
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| |
Call Number |
UA @ admin @ c:irua:160318 |
Serial |
5261 |
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| Permanent link to this record |
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Author |
Sui, Y.; Muys, M.; Van de Waal, D.; D'Adamo, S.; Vermeir, P.; Fernandes, T.V.; Vlaeminck, S.E. |
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Title |
Enhancement of co-production of nutritional protein and carotenoids in Dunaliella salina using a two-phase cultivation assisted by nitrogen level and light intensity |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Bioresource technology |
Abbreviated Journal |
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| |
Volume |
287 |
Issue |
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Pages |
121398 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Microalga Dunaliella salina is known for its carotenogenesis. At the same time, it can also produce high-quality protein. The optimal conditions for D. salina to co-produce intracellular pools of both compounds, however, are yet unknown. This study investigated a two-phase cultivation strategy to optimize combined high-quality protein and carotenoid production of D. salina. In phase-one, a gradient of nitrogen concentrations was tested. In phase-two, effects of nitrogen pulse and high illumination were tested. Results reveal optimized protein quantity, quality (expressed as essential amino acid index EAAI) and carotenoids content in a two-phase cultivation, where short nitrogen starvation in phase-one was followed by high illumination during phase-two. Adopting this strategy, productivities of protein, EAA and carotenoids reached 22, 7 and 3 mg/L/d, respectively, with an EAAI of 1.1. The quality of this biomass surpasses FAO/WHO standard for human nutrition, and the observed level of β-carotene presents high antioxidant pro-vitamin A activity. |
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Place of Publication |
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Language |
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Wos |
000469414500008 |
Publication Date |
2019-04-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0960-8524 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:159661 |
Serial |
7916 |
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Author |
Jishkariani, D.; Elbert, K.C.; Wu, Y.; Lee, J.D.; Hermes, M.; Wang, D.; van Blaaderen, A.; Murray, C.B. |
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Title |
Nanocrystal Core Size and Shape Substitutional Doping and Underlying Crystalline Order in Nanocrystal Superlattices |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
13 |
Issue |
5 |
Pages |
5712-5719 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Substitutional doping is a potentially powerful technique to control the properties of nanocrystal (NC) superlattices (SLs). However, not every NC can be substituted into any lattice, as the NCs have to be close in size and shape, limiting the application of substitutional doping. Here we show that this limitation can be overcome by employing ligands of various size. We show that small NCs with long ligands can be substituted into SLs of big NCs with short ligands. Furthermore, we show that shape differences can also be overcome and that cubes can substitute spheres when both are coated with long ligands. Finally, we use the NC effective ligand size, softness, and effective overall size ratio to explain observed doping behaviors. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000469886300078 |
Publication Date |
2019-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by the University of Pennsylvania's NSF MRSEC under award no. DMR-112090 and the CNRS-UPENN-SOLVAY through the Complex Assemblies of Soft Matter Laboratory (COMPASS). K.C.E. acknowledges support from the NSF Graduate Research Fellowship Program under grant no. DGE-1321851. C.B.M. acknowledges the Richard Perry University Professorship at the University of Pennsylvania. D.W. and A.v.B. acknowledge partial funding from the European Research Council under the European Union's Seventh Framework Programme (FP -2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. M.H. was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The authors thank EM square in Utrecht University for the access to the microscopes. ; |
Approved |
Most recent IF: 13.942 |
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Call Number |
UA @ admin @ c:irua:160344 |
Serial |
5256 |
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| Permanent link to this record |
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Author |
Vaitkeviciute, J.; Chakir, R.; Van Passel, S. |
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Title |
Climate variable choice in Ricardian studies of European Agriculture |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Revue économique |
Abbreviated Journal |
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Volume |
70 |
Issue |
3 |
Pages |
375-401 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
The Ricardian model has been employed frequently to study the impact of climate change on European agriculture. This paper contributes to this literature by using a panel data of FADN EU regions and the period 2004-2012 and by taking into account both individual heterogeneity as well as spatial autocorrelation among EU regions. We tested three hypotheses related to the degree days model. Our results show that climate outside the defined growing season matters for European agriculture, and excluding it could underestimate climate change impacts. Our results should support public policy decisions about efficient and effective mitigation and adaptation policy measures in EU agriculture. |
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Place of Publication |
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Wos |
000469914100005 |
Publication Date |
2019-05-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0035-2764; 1950-6694 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
; We thank the two anonymous referees and the editors of the Revue economique for their useful comments which have helped us to improve the paper significantly. The usual disclaimers apply. The research leading to these results received funding from the European Union within the European Commission Seventh Framework Programme in the frame of RURAGRI ERA-NET under Grant Agreement 235175 TRUSTEE (ANR-13-RURA-0001-01) and from the Agence Nationale de la Recherche within STIMUL (Scenarios Towards integrating multi-scale land use tools) flagship project as part of the “Investissements d'Avenir” Programme (LabEx BASC; ANR-11-LABX-0034). This work was also supported by the metaprogramme Adaptation of Agriculture and Forest to Climate Change (AAFCC) of the French National Institute for Agricultural Research (INRA). Neither the French Agence Nationale de la Recherche nor the European Union or European Commission organization is accountable for the content of this research. The authors are solely responsible for any omissions or deficiencies. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160346 |
Serial |
6167 |
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Author |
Vanmeert, F.; De Keyser, N.; van Loon, A.; Klaassen, L.; Noble, P.; Janssens, K. |
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Title |
Transmission and reflection mode macroscopic x-ray powder diffraction imaging for the noninvasive visualization of paint degradation in still life paintings by Jan Davidsz. de Heem |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
11 |
Pages |
7153-7161 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of noninvasive chemical imaging techniques is becoming more widespread for the study of cultural heritage artifacts. Recently a mobile instrument for macroscopic X-ray powder diffraction (MA-XRPD) scanning was developed, which is capable of visualizing the distribution of crystalline (pigment) phases in quasi-flat-painted artifacts. In this study, MA-XRPD is used in both transmission and reflection mode for the analysis of three 17th century still life paintings, two paintings by Jan Davidsz. de Heem (1606-1684) and one copy painting after De Heem by an unknown artist. MA-XRPD allowed to reveal and map the presence of in situ-formed alteration products. In the works examined, two rare lead arsenate minerals, schultenite (PbHAsO4) and mimetite (Pb-5(AsO4)(3)Cl), were encountered, both at and below the paint surface; they are considered to be degradation products of the pigments realgar (alpha-As4S4) and orpiment (As2S3). In transmission mode, the depletion of lead white, present in the (second) ground layer, could be seen, illustrating the intrusive nature of this degradation process. In reflection mode, several sulfate salts, palmierite (K2Pb(SO4)(2)), syngenite (K2Ca(SO4)(2)center dot H2O), and gypsum (CaSO4 center dot 2H(2)O), could be detected, in particular, at the (top) surface of the copy painting. Estimates for the information depth and sensitivity of both transmission and reflection mode MA-XRPD for various pigments have been made. The possibility of MA-XRPD to allow for noninvasive identification and visualization of alteration products is considered a significant advantage and unique feature of this method. MA-XRPD can thus provide highly relevant information for assessing the conservation state of artworks and could guide possible future restoration treatments. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000470793800031 |
Publication Date |
2019-05-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
5 |
Open Access |
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Notes |
; The authors acknowledge financial support from BELSPO (Brussels) S2-ART and METOX projects, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and the GOA Project Solarpaint (University of Antwerp Research Council). The authors thank the Rijksmuseum, the Royal Museum of Fine Arts Antwerp, and their staff for the collaborations. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:160245 |
Serial |
5882 |
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| Permanent link to this record |
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Author |
Chekol Zewdie, M.; Van Passel, S.; Cools, J.; Tenessa, D.B.; Ayele, Z.A.; Tsegaye, E.A.; Minale, A.S.; Nyssen, J. |
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Title |
Direct and indirect effect of irrigation water availability on crop revenue in northwest Ethiopia : a structural equation model |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Agricultural Water Management |
Abbreviated Journal |
Agr Water Manage |
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Volume |
220 |
Issue |
220 |
Pages |
27-35 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Development of a clear understanding of the relationship between the availability of dam-driven irrigation water and crop revenue is important in poverty reduction and food security process. As a result, large research efforts are devoted to understanding the relationship between the availability of irrigation water and crop revenue. However, earlier studies do have several limitations. For example, without considering its indirect effect, prior studies focused solely on the direct effect of availability of irrigation water on crop revue. In this study, using a structural equation model analysis, the direct and indirect effect of availability of dam-driven irrigation water on crop revenue is decomposed and quantified specifically for the Koga irrigation scheme, located in the Mecha district of Amhara region in Ethiopia. A primary data set was collected from a randomly selected sample of 450 households in the Koga irrigation scheme. More than half of the households (254) are supported by the Koga Dam irrigation water during the dry season, and the other 196 households depended only on rainfall. The results of the study showed that, in addition to its direct effect, the availability of irrigation water indirectly affected crop revenue through receptivity of the farmers to use modern farm inputs. Around 27 percent of the total effect of dam-driven irrigation water on crop revenue was mediated by farmers’ receptivity to use yield-enhancing modern farm inputs. The results of this study suggested that the availability of irrigation water is essential to improve both crop revenue and receptivity of the farmers to use modern farm inputs. This finding also drives a strategic framework that the receptivity of the farmers to use modern farm inputs is crucial for utilizing the positive effects of irrigation water availability on crop revenue. |
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Wos |
000470941300003 |
Publication Date |
2019-04-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0378-3774 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.848 |
Times cited |
1 |
Open Access |
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Notes |
; The authors would like to thank Bahir Dar University – Institutional University Cooperation (BDU-IUC) VLIR_UOS project for providing us enough funds for the completion of this study. Special gratitude is given to Abrehet Kahassay and Kassahun Birhanu for helping us to map the study area; and to the data collectors (Hilemichael Fentahun, Etsehewot Birara, and Tsegachewu Degu) for their commitment. The authors gratefully acknowledge the Koga Irrigation Scheme office managers, Tewachewu Abebe, and his colleagues for their support during the data collection. The authors also acknowledge the farmers (respondents) for their willingness to spend time responding honestly to questions. ; |
Approved |
Most recent IF: 2.848 |
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Call Number |
UA @ admin @ c:irua:159246 |
Serial |
6182 |
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Author |
Terzano, R.; Denecke, M.A.; Falkenberg, G.; Miller, B.; Paterson, D.; Janssens, K. |
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Title |
Recent advances in analysis of trace elements in environmental samples by X-ray based techniques (IUPAC Technical Report) |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Pure and applied chemistry |
Abbreviated Journal |
Pure Appl Chem |
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Volume |
91 |
Issue |
6 |
Pages |
1029-1063 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Trace elements analysis is a fundamental challenge in environmental sciences. Scientists measure trace elements in environmental media in order to assess the quality and safety of ecosystems and to quantify the burden of anthropogenic pollution. Among the available analytical techniques, X-ray based methods are particularly powerful, as they can quantify trace elements in situ. Chemical extraction is not required, as is the case for many other analytical techniques. In the last few years, the potential for X-ray techniques to be applied in the environmental sciences has dramatically increased due to developments in laboratory instruments and synchrotron radiation facilities with improved sensitivity and spatial resolution. In this report, we summarize the principles of the X-ray based analytical techniques most frequently employed to study trace elements in environmental samples. We report on the most recent developments in laboratory and synchrotron techniques, as well as advances in instrumentation, with a special attention on X-ray sources, detectors, and optics. Lastly, we inform readers on recent applications of X-ray based analysis to different environmental matrices, such as soil, sediments, waters, wastes, living organisms, geological samples, and atmospheric particulate, and we report examples of sample preparation. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000471262400011 |
Publication Date |
2019-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0033-4545 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.626 |
Times cited |
3 |
Open Access |
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Notes |
; This document was developed as a part of IUPAC, Funder Id: http://dx.doi.org/ 10.13039/100006987, Project #2016-019-2-600 “Trace elements analysis of environmental samples with X-rays: from synchrotron to lab and from lab to synchrotron” led by Roberto Terzano (Task Group Chair). Task Group Members for this project were: Melissa Anne Denecke, Gerald Falkenberg, Armin Gross, Koen Janssens, Bradley Miller, David Paterson, Ryan Tappero, Fang-Jie Zhao. Their contribution to the project is gratefully acknowledged. ; |
Approved |
Most recent IF: 2.626 |
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Call Number |
UA @ admin @ c:irua:161369 |
Serial |
5803 |
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Author |
Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
372 |
Issue |
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Pages |
1253-1264 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as
equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically
investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and
packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in
a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in
combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e.,
power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing
material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the
type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no
apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials
studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23
and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide
a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order
to be able to distinguish plasma effects from true catalytic enhancement. |
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Wos |
000471670400116 |
Publication Date |
2019-05-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 05.05.2021
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Notes |
European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159979 |
Serial |
5171 |
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| Permanent link to this record |
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Author |
Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Porret, C.; Loo, R.; Vandervorst, W. |
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Title |
Heavily phosphorus doped germanium : strong interaction of phosphorus with vacancies and impact of tin alloying on doping activation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
125 |
Issue |
22 |
Pages |
225703 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We examined the vacancy trapping proficiency of Sn and P atoms in germanium using positron annihilation spectroscopy measurements, sensitive to the open-volume defects. Epitaxial Ge1 xSnx films were grown by chemical vapor deposition with different P concentrations in the 3: 0 1019-1: 5 1020 cm 3 range. We corroborate our findings with first principles simulations. Codoping of Ge with a Sn concentration of up to 9% is not an efficient method to suppress the free vacancy concentration and the formation of larger phosphorus-vacancy complexes. Experimental results confirm an increase in the number of P atoms around the monovacancy with P-doping, leading to dopant deactivation in epitaxial germanium-tin layers with similar Sn content. Vice versa, no impact on the improvement of maximum achieved P activation in Ge with increasing Sn-doping has been observed. Theoretical calculations also confirm that Pn-V (vacancy) complexes are energetically more stable than the corresponding SnmPn-V and Snm-V defect structures with the same number of alien atoms (Sn or P) around the monovacancy. he strong attraction of vacancies to the phosphorus atoms remains the dominant dopant deactivation mechanism in Ge as well as in Ge1 xSnx. Published under license by AIP Publishing. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000471698600044 |
Publication Date |
2019-06-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:161333 |
Serial |
6300 |
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Author |
Khalilov, U.; Vets, C.; Neyts, E.C. |
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Title |
Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Nanoscale Horizons |
Abbreviated Journal |
Nanoscale Horiz. |
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Volume |
4 |
Issue |
3 |
Pages |
674-682 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap. |
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Place of Publication |
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Wos |
000471816500011 |
Publication Date |
2019-01-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2055-6756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
Not_Open_Access: Available from 03.01.2020
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Notes |
Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159658 |
Serial |
5169 |
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Author |
Yuan, H.F.; Xu, W.; Zhao, X.N.; Song, D.; Zhang, G.R.; Xiao, Y.M.; Ding, L.; Peeters, F.M. |
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Title |
Quantum and transport mobilities of a Na3Bi-based three-dimensional Dirac system |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
23 |
Pages |
235303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic and transport properties of a three-dimensional (3D) Dirac system are investigated theoretically, which is motivated by recent experimental measurements on quantum and transport mobilities in the 3D Dirac semimetal Na3Bi by J. Xiong et al. [Science 350, 413 (2015); Europhys. Lett. 114, 27002 (2016)]. The electron Hamiltonian is taken from a simplified k center dot p approach. From the obtained electronic band structure and the Fermi energy, we explain why the anomalous effect induced by the chiral anomaly and the Berry curvature in the energy band can be observed experimentally in magnetotransport coefficients in both low-and high-density samples. Moreover, the quantum and transport mobilities are calculated on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation with the electron-impurity interaction. The quantum and transport mobilities obtained from this study agree both qualitatively and quantitatively with those measured experimentally. We also examine the electron mobilities along different crystal directions in Na3Bi and find them largely anisotropic. The theoretical findings from this work can be helpful in gaining an in-depth understanding of the experimental results and of the basic electronic and transport properties of newly developed 3D Dirac systems. |
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Wos |
000471983500006 |
Publication Date |
2019-06-17 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:161329 |
Serial |
5425 |
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Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
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Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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Volume |
132 |
Issue |
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Pages |
172-181 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000472124700023 |
Publication Date |
2019-04-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3697 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
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Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
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| Permanent link to this record |
