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Author |
Chen, Q.; Wang, W.; Peeters, F.M. |
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Title |
Magneto-polarons in monolayer transition-metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
123 |
Issue |
21 |
Pages |
214303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Wos |
000434775500014 |
Publication Date |
2018-06-05 |
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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 |
19 |
Open Access |
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Notes |
; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985 |
Serial |
5031 |
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Author |
Vanmeert, F.; de Nolf, W.; De Meyer, S.; Dik, J.; Janssens, K. |
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Title |
Macroscopic X-ray powder diffraction scanning, a new method for highly selective chemical imaging of works of art : instrument optimization |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
11 |
Pages |
6436-6444 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In the past decade macroscopic X-ray fluorescence imaging (MA-XRF) has become established as a method for the noninvasive investigation of flat painted surfaces, yielding large scale elemental maps. MA-XRF is limited by a lack of specificity, only allowing for indirect pigment identification based on the simultaneous presence of chemical elements. The high specificity of X-ray powder diffraction (XRPD) mapping is already being exploited at synchrotron facilities for investigations at the (sub)microscopic scale, but the technique has not yet been employed using lab sources. In this paper we present the development of a novel MA-XRPD/XRF instrument based on a laboratory X-ray source. Several combinations of X-ray sources and area detectors are evaluated in terms of their spatial and angular resolution and their sensitivity. The highly specific imaging capability of the combined MA-XRPD/XRF instrument is demonstrated on a 15th/16th century illuminated manuscript directly revealing the distribution of a large number of inorganic pigments, including the uncommon yellow pigment massicot (o-PbO). The case study illustrates the wealth of new mapping information that can be obtained in a noninvasive manner using the laboratory MA-XRPD/XRF instrument. |
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Wos |
000434893200019 |
Publication Date |
2018-04-06 |
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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 |
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 |
11 |
Open Access |
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Notes |
; The authors thank the persons involved at Incoatec GmbH, imXPAD SAS and Dectris Ltd. for loaning us some of their products over the past years. We acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” Project and GOA Project Solarpaint (University of Antwerp Research Council). Photo Copyright Geert Van der Snickt, 2008 for the photograph of the illuminated manuscript in the TOC graphic. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151993 |
Serial |
5701 |
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Author |
Vanmeert, F.; de Nolf, W.; Dik, J.; Janssens, K. |
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Title |
Macroscopic X-ray powder diffraction scanning : possibilities for quantitative and depth-selective parchment analysis |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
90 |
Issue |
11 |
Pages |
6445-6452 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
At or below the surface of painted works of art, valuable information is present that provides insights into an objects past, such as the artists technique and the creative process that was followed or its conservation history but also on its current state of preservation. Various noninvasive techniques have been developed over the past 2 decades that can probe this information either locally (via point analysis) or on a macroscopic scale (e.g., full-field imaging and raster scanning). Recently macroscopic X-ray powder diffraction (MA-XRPD) mapping using laboratory X-ray sources was developed. This method can visualize highly specific chemical distributions at the macroscale (dm(2)). In this work we demonstrate the synergy between the quantitative aspects of powder diffraction and the noninvasive scanning capability of MA-XRPD highlighting the potential of the method to reveal new types of information. Quantitative data derived from a 15th/16th century illuminated sheet of parchment revealed three lead white pigments with different hydrocerussite-cerussite compositions in specific pictorial elements, while quantification analysis of impurities in the blue azurite pigment revealed two distinct azurite types: one rich in barite and one in quartz. Furthermore, on the same artifact, the depth-selective possibilities of the method that stem from an exploitation of the shift of the measured diffraction peaks with respect to reference data are highlighted. The influence of different experimental parameters on the depth-selective analysis results is briefly discussed. Promising stratigraphic information could be obtained, even though the analysis is hampered by not completely understood variations in the unit cell dimensions of the crystalline pigment phases. |
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Wos |
000434893200020 |
Publication Date |
2018-04-06 |
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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 |
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 |
6 |
Open Access |
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Notes |
; The authors thank Incoatec GmbH for giving us the opportunity to test the I mu S Cu X-ray source. We acknowledge financial support from BELSPO (Brussels) S2-ART, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and GOA Project Solarpaint (University of Antwerp Research Council). Photo Copyright Geert Van der Snickt, 2008 for the photograph of the illuminated manuscript in the TOC graphic. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:151994 |
Serial |
5702 |
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Author |
Hu, S.; Gopinadhan, K.; Rakowski, A.; Neek-Amal, M.; Heine, T.; Grigorieva, I.V.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. |
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Title |
Transport of hydrogen isotopes through interlayer spacing in van der Waals crystals |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
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Volume |
13 |
Issue |
6 |
Pages |
468-+ |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Atoms start behaving as waves rather than classical particles if confined in spaces commensurate with their de Broglie wavelength. At room temperature this length is only about one angstrom even for the lightest atom, hydrogen. This restricts quantum-confinement phenomena for atomic species to the realm of very low temperatures(1-5). Here, we show that van der Waals gaps between atomic planes of layered crystals provide angstrom-size channels that make quantum confinement of protons apparent even at room temperature. Our transport measurements show that thermal protons experience a notably higher barrier than deuterons when entering van der Waals gaps in hexagonal boron nitride and molybdenum disulfide. This is attributed to the difference in the de Broglie wavelengths of the isotopes. Once inside the crystals, transport of both isotopes can be described by classical diffusion, albeit with unexpectedly fast rates comparable to that of protons in water. The demonstrated angstrom-size channels can be exploited for further studies of atomistic quantum confinement and, if the technology can be scaled up, for sieving hydrogen isotopes. |
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Wos |
000434715700015 |
Publication Date |
2018-04-04 |
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Series Editor |
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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 |
1748-3387; 1748-3395 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
38.986 |
Times cited |
32 |
Open Access |
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Notes |
; The authors acknowledge support from the Lloyd's Register Foundation, EPSRC – EP/N010345/1, the European Research Council ARTIMATTER project – ERC-2012-ADG and from Graphene Flagship. M.L.-H. acknowledges a Leverhulme Early Career Fellowship. ; |
Approved |
Most recent IF: 38.986 |
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Call Number |
UA @ lucian @ c:irua:152014UA @ admin @ c:irua:152014 |
Serial |
5046 |
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Author |
Delaney, J.K.; Conover, D.M.; Dooley, K.A.; Glinsman, L.; Janssens, K.; Loew, M. |
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Title |
Integrated X-ray fluorescence and diffuse visible-to-near-infrared reflectance scanner for standoff elemental and molecular spectroscopic imaging of paints and works on paper |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
6 |
Issue |
6 |
Pages |
31 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Prior studies have shown the improved ability to identify artists' pigments by combining results from X-ray fluorescence (XRF), which provides elemental information, with reflectance spectroscopy in the visible to near infrared (400-1000 nm) that provides information on electronic transitions. Extending the spectral range of reflectance spectroscopy into the UV, 350-400 nm, allows identification of several white pigments since their electronic transitions occur in this region (e.g., zinc white and rutile and anatase forms of titanium white). Extending the range further into the infrared, out to 2500 nm, provides information on vibrational transitions of various functional groups, such as hydroxyl, carbonate, and methyl groups. This allows better identification of mineral-based pigments and some paint binders. The combination of elemental information with electronic and vibrational transitions provides a more robust method to identify artists' materials in situ. The collection of both sets of spectral information across works of art, such as paintings and works on paper, allows generating a more complete map of artists' materials. Here, we describe a 2-D scanner that simultaneously collects XRF spectra and reflectance spectra from 350 to 2500 nm across the surfaces of works of art. The scanner consists of a stationary, single pixel XRF spectrometer and fiber optic reflectance spectrometer along with a 2-D position-controlled easel that moves the artwork in front of the two detection systems. The dual-mode scanner has been tested on a variety of works of art from illuminated manuscripts (0.1 x 0.1 m(2)) to paintings as large as 1.7 x 1.9 m(2). The scanner is described and two sets of results are presented. The first is the XRF scanning of a large warped panel painting by Andrea del Sarto titled Charity. The second is a combined XRF and reflectance scan of Georges Seurat's painting titled Haymakers at Montfermeil. The XRF was collected at 1 mm spatial sampling and the reflectance spectral data at 3 mm. Combining the results from the data sets was found to enhance the identification of pigments as well as yield distribution maps, in spite of the relatively low reflectance spatial sampling. The elemental and reflectance maps allowed the identification and mapping of lead white, cobalt blue, viridian, ochres, and likely chrome yellow. The maps also provide information on the mixing of pigments. While the reflectance image cube has 10-20x larger spatial samples than desired, the elimination of having to use two hyperspectral cameras to cover the range from 400 to 2500 nm makes for a low cost dual modality scanner. |
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Place of Publication |
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Wos |
000433601900001 |
Publication Date |
2018-05-18 |
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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 |
2050-7445 |
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 |
7 |
Open Access |
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Notes |
; The authors acknowledge funding from the National Science Foundation (Award 1041827). J.K.D. and D.M.C. acknowledge funding from the Andrew W. Mellon and Samuel H. Kress Foundations. The authors are grateful to David Martin and Dennis Murphy of SmartDrive Ltd., Gary Fager of Malvern PANalytical, and Gao Ning of XOS for advice. KJ acknowledges support from EU-InterReg project SmartLight and from GOA Project SolarPaint (University of Antwerp Research Council). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:152039 |
Serial |
5665 |
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Author |
Van Pottelberge, R.; Zarenia, M.; Peeters, F.M. |
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Title |
Comment on “Impurity spectra of graphene under electric and magnetic fields” |
Type |
Editorial |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
20 |
Pages |
207403 |
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Keywords |
Editorial; Condensed Matter Theory (CMT) |
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Abstract |
In a recent paper [Phys. Rev. B 89, 155403 (2014)], the authors investigated the spectrum of a Coulomb impurity in graphene in the presence of magnetic and electric fields using the coupled series expansion approach. In the first part of their paper, they investigated how Coulomb impurity states collapse in the presence of a perpendicular magnetic field. We argue that the obtained spectrum does not give information about the atomic collapse and that their interpretation of the spectrum regarding atomic collapse is not correct. We also argue that the obtained results are only valid up to the dimensionless charge vertical bar alpha vertical bar = 0.5 and, to obtain correct results for alpha > 0.5, a proper regularization of the Coulomb interaction is required. Here we present the correct numerical results for the spectrum for arbitrary values of alpha. |
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Publisher |
Amer physical soc |
Place of Publication |
College pk |
Editor |
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Language |
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Wos |
000433288800015 |
Publication Date |
2018-05-29 |
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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 |
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 |
5 |
Open Access |
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Notes |
; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:152042UA @ admin @ c:irua:152042 |
Serial |
5017 |
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Author |
Mirzakhani, M.; Zarenia, M.; Peeters, F.M. |
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Title |
Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
123 |
Issue |
20 |
Pages |
204301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations. Published by AIP Publishing. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000433977200017 |
Publication Date |
2018-05-23 |
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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 |
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 |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO), the BOF-UA (Bijzonder Onderzoeks Fonds), the Methusalem program of the Flemish Government, and Iran Nanotechnology Initiative Council (INIC). ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:152044UA @ admin @ c:irua:152044 |
Serial |
5020 |
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Author |
Dimitrievska, M.; Shea, P.; Kweon, K.E.; Bercx, M.; Varley, J.B.; Tang, W.S.; Skripov, A.V.; Stavila, V.; Udovic, T.J.; Wood, B.C. |
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Title |
Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Advanced energy materials |
Abbreviated Journal |
Adv Energy Mater |
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Volume |
8 |
Issue |
15 |
Pages |
1703422 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The disordered phases of LiCB11H12 and NaCB11H12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB11H12- anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB11H12- also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10(10) s(-1), suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB11H12- salts compared with B12H122-. |
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Publisher |
WILEY-VCH Verlag GmbH & Co. |
Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000434031400026 |
Publication Date |
2018-02-21 |
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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 |
1614-6832; 1614-6840 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
16.721 |
Times cited |
20 |
Open Access |
OpenAccess |
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Notes |
; This work was performed in part under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and funded by Laboratory Directed Research and Development Grant 15-ERD-022. Computing support came from the LLNL Institutional Computing Grand Challenge program. This work was also performed in part within the assignment of the Russian Federal Agency of Scientific Organizations (program “Spin” No. 01201463330). The authors gratefully acknowledge support from the Russian Foundation for Basic Research under Grant No. 15-03-01114 and the Ural Branch of the Russian Academy of Sciences under Grant No. 15-9-2-9. A.V.S. gratefully acknowledges travel support from CRDF Global in conjunction with this work under Grant No. FSCX-15-61826-0. M.D. gratefully acknowledges research support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract No. DE-AC36-08GO28308. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249. The views, opinions, findings, and conclusions stated herein are those of the authors and do not necessarily reflect those of CRDF Global, or the United States Government or any agency thereof. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ; |
Approved |
Most recent IF: 16.721 |
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Call Number |
UA @ lucian @ c:irua:152045 |
Serial |
5015 |
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Author |
Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M. |
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Title |
β-Na1.7IrO3: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
30 |
Issue |
10 |
Pages |
3285-3293 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism. |
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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 |
000433403800014 |
Publication Date |
2018-05-22 |
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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 |
|
Edition |
|
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| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
OpenAccess |
|
| |
Notes |
The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N. |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
EMAT @ emat @c:irua:152048 |
Serial |
4996 |
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| Permanent link to this record |
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| |
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Author |
Gauquelin, N.; Zhang, H.; Zhu, G.; Wei, J.Y.T.; Botton, G.A. |
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| |
Title |
Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
|
| |
Volume |
8 |
Issue |
5 |
Pages |
055022 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s). |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
Melville, NY |
Editor |
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| |
Language |
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Wos |
000433954000022 |
Publication Date |
2018-05-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.568 |
Times cited |
1 |
Open Access |
OpenAccess |
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| |
Notes |
; We are thankful to Julia Huang for FIB TEM sample preparation. This work is supported by NSERC (through Discovery Grants to GAB and JYTW) and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by McMaster University, the Canada Foundation for Innovation and NSERC. N.G. acknowledges H. Idrissi for useful discussions. ; |
Approved |
Most recent IF: 1.568 |
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| |
Call Number |
UA @ lucian @ c:irua:152063 |
Serial |
5013 |
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| Permanent link to this record |
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| |
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Author |
Bhat, S.G.; Gauquelin, N.; Sebastian, N.K.; Sil, A.; Béché, A.; Verbeeck, J.; Samal, D.; Kumar, P.S.A. |
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| |
Title |
Orthorhombic vs. hexagonal epitaxial SrIrO3 thin films : structural stability and related electrical transport properties |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
|
| |
Volume |
122 |
Issue |
2 |
Pages |
28003 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Metastable orthorhombic SrIrO3 (SIO) is an arch-type spin-orbit coupled material. We demonstrate here a controlled growth of relatively thick (200 nm) SIO films that transform from bulk “6H-type” structure with monoclinic distortion to an orthorhombic lattice by controlling growth temperature. Extensive studies based on high-resolution X-ray diffraction and transmission electron microscopy infer a two distinct structural phases of SIO. Electrical transport reveals a weak temperature-dependent semi-metallic character for both phases. However, the temperature-dependent Hall-coefficient for the orthorhombic SIO exhibits a prominent sign change, suggesting a multiband character in the vicinity of E-F. Our findings thus unravel the subtle structure-property relation in SIO epitaxial thin films. Copyright (C) EPLA, 2018 |
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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 |
Paris |
Editor |
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| |
Language |
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Wos |
000435517300001 |
Publication Date |
2018-06-18 |
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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 |
0295-5075 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.957 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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| |
Notes |
; SGB and DS acknowledge useful discussions with E. P. Houwman, University of Twente, on X-ray diffraction. DS would like to thank H. Takagi, Max-Planck Institute for Solid State Research, Stuttgart, for the fruitful discussion on the transport properties of SIO thin films. SGB and NKS thank A. Aravind, Bishop Moore College, Mavelikara, for his valuable inputs while depositing the thin films of SIO. SGB, NKS and PSAK acknowledge Nano Mission Council, Department of Science & Technology, India, for the funding. DS acknowledges the financial support from Max-Planck Society through MaxPlanck Partner Group. NG, AB and JV acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G093417N. ; |
Approved |
Most recent IF: 1.957 |
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| |
Call Number |
UA @ lucian @ c:irua:152074UA @ admin @ c:irua:152074 |
Serial |
5034 |
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| Permanent link to this record |
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Author |
Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. |
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Title |
Electron pairing: from metastable electron pair to bipolaron |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of physics communications |
Abbreviated Journal |
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| |
Volume |
2 |
Issue |
3 |
Pages |
Unsp 035017 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000434996900022 |
Publication Date |
2018-02-13 |
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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 |
2399-6528 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
9 |
Open Access |
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Notes |
; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 |
Serial |
5022 |
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| Permanent link to this record |
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Author |
Bizindavyi, J.; Verhulst, A.S.; Smets, Q.; Verreck, D.; Sorée, B.; Groeseneken, G. |
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Title |
Band-Tails Tunneling Resolving the Theory-Experiment Discrepancy in Esaki Diodes |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
IEEE journal of the Electron Devices Society |
Abbreviated Journal |
Ieee J Electron Devi |
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| |
Volume |
6 |
Issue |
1 |
Pages |
633-641 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Discrepancies exist between the theoretically predicted and experimentally measured performance of band-to-band tunneling devices, such as Esaki diodes and tunnel field-effect transistors (TFETs). We resolve this discrepancy for highly-doped, direct-bandgap Esaki diodes by successfully calibrating a semi-classical model for high-doping-induced ballistic band-tails tunneling currents at multiple temperatures with two In0.53Ga0.47As Esaki diodes using their SIMS doping profiles, C-V characteristics and their forward-bias current density in the negative differential resistance (NDR) regime. The current swing in the NDR regime is shown not to be linked to the band-tails Urbach energy. We further demonstrate theoretically that the calibrated band-tails contribution is also the dominant band-tails contribution to the subthreshold swing of the corresponding TFETs. Lastly, we verify that the presented procedure is applicable to all direct-bandgap semiconductors by successfully applying it to InAs Esaki diodes in literature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IEEE, Electron Devices Society |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000435505000013 |
Publication Date |
2018-05-15 |
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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 |
2168-6734 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.141 |
Times cited |
5 |
Open Access |
|
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| |
Notes |
; J. Bizindavyi gratefully acknowledges FWO-Vlaanderen for a Strategic Basic Research PhD fellowship. ; |
Approved |
Most recent IF: 3.141 |
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| |
Call Number |
UA @ lucian @ c:irua:152097UA @ admin @ c:irua:152097 |
Serial |
5014 |
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| Permanent link to this record |
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Author |
Gao, M.; Zhang, Y.; Wang, H.; Guo, B.; Zhang, Q.; Bogaerts, A. |
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Title |
Mode Transition of Filaments in Packed-Bed Dielectric Barrier Discharges |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Catalysts |
Abbreviated Journal |
Catalysts |
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| |
Volume |
8 |
Issue |
6 |
Pages |
248 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We investigated the mode transition from volume to surface discharge in a packed bed dielectric barrier discharge reactor by a two-dimensional particle-in-cell/Monte Carlo collision method. The calculations are performed at atmospheric pressure for various driving voltages and for gas mixtures with different N2 and O2 compositions. Our results reveal that both a change of the driving voltage and gas mixture can induce mode transition. Upon increasing voltage, a mode transition from hybrid (volume+surface) discharge to pure surface discharge occurs, because the charged species can escape much more easily to the beads and charge the bead surface due to the strong electric field at high driving voltage. This significant surface charging will further enhance the tangential component of the electric field along the dielectric bead surface, yielding surface ionization waves (SIWs). The SIWs will give rise to a high concentration of reactive species on the surface, and thus possibly enhance the surface activity of the beads, which might be of interest for plasma catalysis. Indeed, electron impact excitation and ionization mainly take place near the bead surface. In addition, the propagation speed of SIWs becomes faster with increasing N2 content in the gas mixture, and slower with increasing O2 content, due to the loss of electrons by attachment to O2
molecules. Indeed, the negative O-2 ion density produced by electron impact attachment is much higher than the electron and positive O+2 ion density. The different ionization rates between N2 and O2 gases will create different amounts of electrons and ions on the dielectric bead surface, which might also have effects in plasma catalysis. |
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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 |
000436128600027 |
Publication Date |
2018-06-15 |
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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 |
2073-4344 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.082 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
The authors are very grateful to Wei Jiang for the useful discussions on the particle-incell/ Monte-Carlo collision model. |
Approved |
Most recent IF: 3.082 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:152171 |
Serial |
4991 |
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| Permanent link to this record |
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Author |
Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
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Title |
Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
137 |
Issue |
|
Pages |
527-532 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In order to optimize the plasma-synthesis and modification process of carbon nanomaterials for applications such as nanoelectronics and energy storage, a deeper understanding of fundamental hydrogengraphite/graphene interactions is required. Atomistic simulations by Molecular Dynamics have proven to be indispensable to illuminate these phenomena. However, severe time-scale limitations restrict them to very fast processes such as reflection, while slow thermal processes such as surface diffusion and molecular desorption are commonly inaccessible. In this work, we could however reach these thermal processes for the first time at time-scales and surface temperatures (1000 K) similar to high-flux plasma exposure experiments during the simulation of multilayer graphene etching by 5 eV H ions. This was achieved by applying the Collective Variable-Driven Hyperdynamics biasing technique, which extended the inter-impact time over a range of six orders of magnitude, down to a more realistic ion-flux of 1023m2s1. The results show that this not only causes a strong shift from predominant ion-to thermally induced interactions, but also significantly affects the hydrogen uptake and surface evolution. This study thus elucidates H ion-graphite/graphene interaction mechanisms and stresses the importance of including long time-scales in atomistic simulations at high surface temperatures to understand the dynamics of the ion-surface system. |
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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 |
000440661700056 |
Publication Date |
2018-05-24 |
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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 |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.337 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 25.05.2020
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Notes |
DIFFER is part of the Netherlands Organisation for Scientific Research (NWO). K.M.B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientific Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government e department EWI. |
Approved |
Most recent IF: 6.337 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:152172 |
Serial |
4993 |
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Author |
Rezaei, F.; Gorbanev, Y.; Chys, M.; Nikiforov, A.; Van Hulle, S.W.H.; Cos, P.; Bogaerts, A.; De Geyter, N. |
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Title |
Investigation of plasma-induced chemistry in organic solutions for enhanced electrospun PLA nanofibers |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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| |
Volume |
15 |
Issue |
6 |
Pages |
1700226 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Electrospinning is a versatile technique for the fabrication of polymer-based nano/microfibers. Both physical and chemical characteristics of pre-electrospinning polymer solutions affect the morphology and chemistry of electrospun nanofibers. An atmospheric-pressure plasma jet has previously been shown to induce physical modifications in polylactic acid (PLA) solutions. This work aims at investigating the plasma-induced chemistry in organic solutions of PLA, and their effects on the resultant PLA nanofibers. Therefore, very broad range of gas, liquid, and solid (nanofiber) analyzing techniques has been applied. Plasma alters the acidity of the solutions. SEM studies illustrated that complete fiber morphology enhancement only occurred when both PLA and solvent molecules were exposed to preelectrospinning plasma treatment.
Additionally, the surface
chemistry of the PLA nanofibers
was mostly preserved. |
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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 |
000436407300005 |
Publication Date |
2018-03-24 |
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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 |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.846 |
Times cited |
12 |
Open Access |
Not_Open_Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0379.15N ; FP7 Ideas: European Research Council, 335929 (PLASMATS) ; European Marie Sklodowska-Curie Individual Fellowship “LTPAM”, 657304 ; |
Approved |
Most recent IF: 2.846 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:152173 |
Serial |
4992 |
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| Permanent link to this record |
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Author |
Cremers, V.; Rampelberg, G.; Barhoum, A.; Walters, P.; Claes, N.; Oliveira, T.M. de; Assche, G.V.; Bals, S.; Dendooven, J.; Detavernier, C. |
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Title |
Oxidation barrier of Cu and Fe powder by Atomic Layer Deposition |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
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| |
Volume |
349 |
Issue |
349 |
Pages |
1032-1041 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Atomic layer deposition (ALD) is a vapor based technique which allows to deposit uniform, conformal films with a thickness control at the atomic scale. In this research, Al 2 O 3 coatings were deposited on micrometer-sized Fe and Cu powder (particles) using the thermal trimethylaluminum (TMA)/ water (H 2 O) process in a rotary pump-type ALD reactor. Rotation of the powder during deposition was required to obtain a pinhole-free ALD coating. The protective nature of the coating was evaluated by quantifying its effectiveness in protecting the metal particles during oxidative annealing treatments. The Al 2 O 3 coated powders were annealed in ambient air while in-situ thermogravimetric analysis (TGA) and in-situ x-ray diffraction (XRD) data were acquired. The thermal stability of a series of Cu and Fe powder with different Al 2 O 3 thicknesses were determined with TGA. In both samples a clear shift in oxidation temperature is visible. For Cu and Fe powder coated with 25 nm Al 2 O 3 , we observed an increase of the oxidation temperature with 300-400°C. For the Cu powder a thin film of only 8 nm is required to obtain an initial increase in oxidation temperature of 200°C. In contrast, for Fe powder a thicker coating of 25 nm is required. In both cases, the oxidation temperature increases with increasing thickness of the Al 2 O 3 coating. These results illustrate that the Al 2 O 3 thin film, deposited by the thermal ALD process (TMA/H 2 O) can be an efficient and pinhole-free barrier layer for micrometer-sized powder particles, provided that the powder is properly agitated during the process to ensure sufficient vapour-solid interaction. |
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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 |
000441492600108 |
Publication Date |
2018-06-25 |
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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 |
0257-8972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.589 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Strategic Initiative Materials in Flanders (SIM, SBO-FUNC project) and the Special Research Fund BOF of Ghent University (GOA 01G01513). J. D. acknowledges the Research Foundation Flanders (FWO-Vlaanderen) for a postdoctoral fellowship. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant 335078-COLOURATOMS). The authors acknowledge S. Goeteyn for the assistance in preliminary depositions. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 2.589 |
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| |
Call Number |
EMAT @ emat @c:irua:152174UA @ admin @ c:irua:152174 |
Serial |
4994 |
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| Permanent link to this record |
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Author |
Razzokov, J.; Yusupov, M.; Bogaerts, A. |
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| |
Title |
Possible Mechanism of Glucose Uptake Enhanced by Cold Atmospheric Plasma: Atomic Scale Simulations |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma |
Abbreviated Journal |
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| |
Volume |
1 |
Issue |
1 |
Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Cold atmospheric plasma (CAP) has shown its potential in biomedical applications, such as wound healing, cancer treatment and bacterial disinfection. Recent experiments have provided evidence that CAP can also enhance the intracellular uptake of glucose molecules which is important in diabetes therapy. In this respect, it is essential to understand the underlying mechanisms of intracellular glucose uptake induced by CAP, which is still unclear. Hence, in this study we try to elucidate the possible mechanism of glucose uptake by cells by performing computer simulations. Specifically, we study the transport of glucose molecules through native and oxidized membranes. Our simulation results show that the free energy barrier for the permeation of glucose molecules across the membrane decreases upon increasing the degree of oxidized lipids in the membrane. This indicates that the glucose permeation rate into cells increases when the CAP oxidation level in the cell membrane is increased. |
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Corporate Author |
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Wos |
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Publication Date |
2018-06-08 |
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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 |
2571-6182 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. |
Approved |
Most recent IF: NA |
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| |
Call Number |
PLASMANT @ plasmant @ plasma1010011c:irua:152176 |
Serial |
4990 |
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| Permanent link to this record |
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| |
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Author |
Vanraes, P.; Wardenier, N.; Surmont, P.; Lynen, F.; Nikiforov, A.; Van Hulle, S.W.H.; Leys, C.; Bogaerts, A. |
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| |
Title |
Removal of alachlor, diuron and isoproturon in water in a falling film dielectric barrier discharge (DBD) reactor combined with adsorption on activated carbon textile: Reaction mechanisms and oxidation by-products |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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| |
Volume |
354 |
Issue |
|
Pages |
180-190 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
A falling film dielectric barrier discharge (DBD) plasma reactor combined with adsorption on activated carbon textile material was optimized to minimize the formation of hazardous oxidation by-products from the treatment of persistent pesticides (alachlor, diuron and isoproturon) in water. The formation of by-products and the reaction mechanism was investigated by HPLC-TOF-MS. The maximum concentration of each by-product was at least two orders of magnitude below the initial pesticide concentration, during the first 10 min of treatment. After 30 min of treatment, the individual by-product concentrations had decreased to values of at least three orders of magnitude below the initial pesticide concentration. The proposed oxidation pathways revealed five main oxidation steps: dechlorination, dealkylation, hydroxylation, addition of a double-bonded oxygen and nitrification. The latter is one of the main oxidation mechanisms of diuron and isoproturon for air plasma treatment. To our knowledge, this is the first time that the formation of nitrificated intermediates is reported for the plasma treatment of non-phenolic compounds. |
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Corporate Author |
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Place of Publication |
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Wos |
000437814600021 |
Publication Date |
2018-05-03 |
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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 |
|
Edition |
|
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| |
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.065 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 04.05.2020
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Notes |
This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors would like to thank Carbon Cloth Division for Zorflex® samples and personally thank Jack Taylor for fruitful discussion of active carbon water treatment processes |
Approved |
Most recent IF: 6.065 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:152179 |
Serial |
4989 |
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| Permanent link to this record |
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| |
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Author |
Ribeiro Gomes, R. |
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| |
Title |
The first order equations for the Ginzburg-Landau theory and the vortex states near a permalloy disk |
Type |
Doctoral thesis |
| |
Year |
2018 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
220 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
|
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:152233 |
Serial |
5213 |
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| Permanent link to this record |
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Author |
Zhang, Q.-Z.; Wang, W.-Z.; Bogaerts, A. |
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Title |
Importance of surface charging during plasma streamer propagation in catalyst pores |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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| |
Volume |
27 |
Issue |
6 |
Pages |
065009 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma catalysis is gaining increasing interest, but the underlying mechanisms are far from understood. Different catalyst materials will have different chemical effects, but in addition, they might also have different dielectric constants, which will affect surface charging, and thus the plasma behavior. In this work, we demonstrate that surface charging plays an important role in the streamer propagation and discharge enhancement inside catalyst pores, and in the plasma distribution along the dielectric surface, and this role greatly depends on the dielectric constant of the material. For εr50, surface charging causes the plasma to spread along the dielectric surface and inside the pores, leading to deeper plasma streamer penetration, while for εr>50 or for metallic coatings, the discharge is more localized, due to very weak surface charging. In addition, at εr=50, the significant surface charge density near the pore entrance causes a large potential drop at the sharp pore edges, which induces a strong electric field and results in most pronounced plasma enhancement near the pore entrance. |
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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 |
000436845700002 |
Publication Date |
2018-06-27 |
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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 |
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Edition |
|
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ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.302 |
Times cited |
13 |
Open Access |
OpenAccess |
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| |
Notes |
We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604) and from the TOP-BOF project of the University of Antwerp. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 3.302 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:152243 |
Serial |
4995 |
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| Permanent link to this record |
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Author |
Domingos, J.L.C. |
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Title |
Study of colloidal systems of anisotropic magnetic particles |
Type |
Doctoral thesis |
| |
Year |
2018 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
114 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Wos |
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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 |
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ISBN |
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Additional Links |
UA library record |
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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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:152284 |
Serial |
5232 |
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| Permanent link to this record |
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Author |
Anaf, W.; Leyva Pernia, D.; Schalm, O. |
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Title |
Standardized indoor air quality assessments as a tool to prepare heritage guardians for changing preservation conditions due to climate change |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Geosciences |
Abbreviated Journal |
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| |
Volume |
8 |
Issue |
8 |
Pages |
Unsp 276-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
Climate change will affect the preservation conditions of our cultural heritage. Therefore, well-considered mitigation actions should be implemented to safeguard our heritage for future generations. Environmental monitoring is essential to follow up the change in preservation conditions and to evaluate the effectiveness of performed mitigation actions. To support heritage guardians in the processing and evaluation of monitored data, an indoor air quality (IAQ) index for heritage applications is introduced. The index is calculated for each measured point in time and is visualized in a user-friendly and intuitive way. The current paper describes the backbone of the IAQ-calculating algorithm. The algorithm is subsequently applied on a case study in which a mitigation action is implemented in a church. |
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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 |
000443254500006 |
Publication Date |
2018-07-27 |
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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 |
2076-3263 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152329 |
Serial |
8578 |
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| Permanent link to this record |
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Author |
Florea, A.; De Jong, M.; De Wael, K. |
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Title |
Electrochemical strategies for the detection of forensic drugs |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Current opinion in electrochemistry |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
11 |
Pages |
34-40 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Illicit drugs consumption and trafficking is spread worldwide and remains an increasing challenge for local authorities. Forensic drugs and their metabolites are released into wastewaters due to human excretion after illegal consumption of drugs and occasionally due to disposal of clandestine laboratory wastes into sewage systems, being recently classified as the latest group of emerging pollutants. Hence, it is essential to have efficient and accurate methods to detect these type of compounds in seized street samples, biological fluids and wastewaters in order to reduce and prevent trafficking and consumption and negative effects on aquatic systems. Electrochemical strategies offer a fast, portable, low-cost and accurate alternative to chromatographic and spectrometric methods, for the analysis of forensic drugs and metabolites in different matrices. Recent electrochemical strategies applied to the detection of illicit drugs in wastewaters, biological fluids and street samples are presented in this review, together with the impact of drug consumption on the environment. |
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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 |
000453710900007 |
Publication Date |
2018-07-21 |
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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 |
2451-9103; 2451-9111 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
7 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. The authors also acknowledge financial support from BELSPO, IOF-SBO and UAntwerp. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:152366 |
Serial |
5597 |
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| Permanent link to this record |
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Author |
Zhao, C.X.; Xu, W.; Dong, H.M.; Yu, Y.; Qin, H.; Peeters, F.M. |
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Title |
Enhancement of plasmon-photon coupling in grating coupled graphene inside a Fabry-Perot cavity |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
280 |
Issue |
280 |
Pages |
45-49 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a theoretical investigation of the plasmon-polariton modes in grating coupled graphene inside a Fabry-Perot cavity. The cavity or photon modes of the device are determined by the Finite Difference Time Domain (FDTD) simulations and the corresponding plasmon-polariton modes are obtained by applying a many-body self-consistent field theory. We find that in such a device structure, the electric field strength of the incident electromagnetic (EM) field can be significantly enhanced near the edges of the grating strips. Thus, the strong coupling between the EM field and the plasmons in graphene can be achieved and the features of the plasmon-polariton oscillations in the structure can be observed. It is found that the frequencies of the plasmon-polariton modes are in the terahertz (THz) bandwidth and depend sensitively on electron density which can be tuned by applying a gate voltage. Moreover, the coupling between the cavity photons and the plasmons in graphene can be further enhanced by increasing the filling factor of the device. This work can help us to gain an in-depth understanding of the THz plasmonic properties of graphene-based structures. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000439059600008 |
Publication Date |
2018-06-18 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
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Notes |
; This work is supported by the National Natural Science Foundation of China (Grand No. 11604192 and Grant No. 11574319); the Center of Science and Technology of Hefei Academy of Science; the Ministry of Science and Technology of China (Grant No. 2011YQ130018); Department of Science and Technology of Yunnan Province; Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.554 |
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Call Number |
UA @ lucian @ c:irua:152369UA @ admin @ c:irua:152369 |
Serial |
5024 |
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| Permanent link to this record |
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Author |
Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. |
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Title |
Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
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Volume |
507 |
Issue |
507 |
Pages |
177-187 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000438019800021 |
Publication Date |
2018-04-30 |
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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 |
0022-3115 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; |
Approved |
Most recent IF: 2.048 |
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Call Number |
UA @ lucian @ c:irua:152382 |
Serial |
5043 |
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| Permanent link to this record |
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Author |
Kuppens, T.; Rafiaani, P.; Vanreppelen, K.; Yperman, J.; Carleer, R.; Schreurs, S.; Thewys, T.; Van Passel, S. |
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Title |
Combining Monte Carlo simulations and experimental design for incorporating risk and uncertainty in investment decisions for cleantech : a fast pyrolysis case study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Clean Technologies And Environmental Policy |
Abbreviated Journal |
Clean Technol Envir |
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Volume |
20 |
Issue |
6 |
Pages |
1195-1206 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The value of phytoextracting crops (plants cultivated for soil remediation) depends on the profitability of the sequential investment in a conversion technology aimed at the economic valorization of the plants. However, the net present value (NPV) of an investment in such an innovative technology is risky due to technical and economic uncertainties. Therefore, decision makers want to dispose of information about the probability of a positive NPV, the largest possible loss, and the crucial economic and technical parameters influencing the NPV. This paper maps the total uncertainty in the NPV of an investment in fast pyrolysis for the production of combined heat and power from willow cultivated for phytoextraction in the Belgian Campine. The probability of a positive NPV has been calculated by performing Monte Carlo simulations. Information about possible losses has been provided by means of experimental design. Both methods are then combined in order to identify the key economic and technical parameters influencing the project's profitability. It appears that the case study has a chance of 87% of generating a positive NPV with an expected value of 3 million euro (MEUR), while worst-case scenarios predict possible losses of 7 MEUR. The amount of arable land, the biomass yield, the purchase price of the crop, the policy support, and the product yield of fast pyrolysis are identified as the most influential parameters. It is concluded that both methods, i.e., Monte Carlo simulations and experimental design, provide decision makers with complementary information with regard to economic risk. |
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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 |
000439453500007 |
Publication Date |
2018-05-25 |
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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 |
1618-954x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
3.331 |
Times cited |
5 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.331 |
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Call Number |
UA @ admin @ c:irua:152385 |
Serial |
6169 |
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| Permanent link to this record |
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Author |
Salvant, J.; Williams, J.; Ganio, M.; Casadio, F.; Daher, C.; Sutherland, K.; Monico, L.; Vanmeert, F.; De Meyer, S.; Janssens, K.; Cartwright, C.; Walton, M. |
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Title |
A Roman Egyptian Painting Workshop : technical investigation of the portraits from Tebtunis, Egypt |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Archaeometry |
Abbreviated Journal |
Archaeometry |
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| |
Volume |
60 |
Issue |
4 |
Pages |
815-833 |
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Keywords |
A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Roman-period mummy portraits are considered to be ancient antecedents of modern portraiture. However, the techniques and materials used in their manufacture are not thoroughly understood. Analytical study of the pigments as well as the binding materials helps to address questions on what aspects of the painting practices originate from Pharaonic and/or Graeco-Roman traditions, and can aid in determining the provenance of the raw materials from potential locations across the ancient Mediterranean and European worlds. Here, one of the largest assemblages of mummy portraits to remain intact since their excavation from the site of Tebtunis in Egypt was examined using multiple analytical techniques to address how they were made. The archaeological evidence suggests that these portraits were products of a single workshop and, correspondingly, they are found to be made using similar techniques and materials: wax-based and lead white-rich paint combined with a variety of iron-based pigments (including hematite, goethite and jarosite), as well as Egyptian blue, minium, indigo and madder lake to create subtle variations and tones. |
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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 |
000438195100011 |
Publication Date |
2017-11-24 |
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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 |
0003-813x; 1475-4754 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.47 |
Times cited |
6 |
Open Access |
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Notes |
; This collaborative initiative is part of NU-ACCESS's broad portfolio of activities, made possible by generous support of the Andrew W. Mellon Foundation as well as supplemental support provided by the Materials Research Center, the Office of the Vice President for Research, the McCormick School of Engineering and Applied Science and the Department of Materials Science and Engineering at Northwestern University. This work made use of the Keck-II facility of the NUANCE Center at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1121262) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of this research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF), and at ESRF (experiment no. HG-79). We are grateful to Marine Cotte and Wout De Nolf for their support during the experiment at beamline ID21. We would like to thank Gerald Falkenberg and Jan Garrevoet for their assistance in using beamline P06. ; |
Approved |
Most recent IF: 1.47 |
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Call Number |
UA @ admin @ c:irua:152396 |
Serial |
5455 |
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Author |
Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Slippage dynamics of confined water in graphene oxide capillaries |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
7 |
Pages |
074004 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
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Language |
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Wos |
000439435200006 |
Publication Date |
2018-07-23 |
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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 |
2475-9953 |
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 |
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Notes |
; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 |
Serial |
5128 |
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Author |
Vanraes, P.; Nikiforov, A.; Bogaerts, A.; Leys, C. |
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Title |
Study of an AC dielectric barrier single micro-discharge filament over a water film |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
8 |
Issue |
1 |
Pages |
10919 |
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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 |
In the last decades, AC powered atmospheric dielectric barrier discharges (DBDs) in air with a liquid electrode have been proposed as a promising plasma technology with versatile applicability in medicine agriculture and water treatment. The fundamental features of the micro-discharge filaments that make up this type of plasma have, however, not been studied yet in sufficient detail. In order to address this need, we investigated a single DBD micro-discharge filament over a water film in a sphere-to-sphere electrode configuration, by means of ICCD imaging and optical emission spectroscopy. When the water film temporarily acts as the cathode, the plasma duration is remarkably long and shows a clear similarity with a resistive barrier discharge, which we attribute to the resistive nature of the water film and the formation of a cathode fall. As another striking difference to DBD with solid electrodes, a constant glow-like plasma is observed at the water surface during the entire duration of the applied voltage cycle, indicating continuous plasma treatment of the liquid. We propose several elementary mechanisms that might underlie the observed unique behavior, based on the specific features of a water electrode. |
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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 |
000439101600018 |
Publication Date |
2018-07-13 |
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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 |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
P. Vanraes acknowledges funding by a University of Antwerp BOF grant. |
Approved |
Most recent IF: 4.259 |
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Call Number |
PLASMANT @ plasmant @c:irua:152822c:irua:152411 |
Serial |
4999 |
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| Permanent link to this record |
