Records |
Author |
Engelmann, Y.; Bogaerts, A.; Neyts, E.C. |
Title |
Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
6 |
Issue |
|
Pages |
11981-11987 |
Keywords |
A1 Journal article; PLASMANT |
Abstract |
Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
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Wos |
000343000800049 |
Publication Date |
2014-07-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
Call Number |
UA @ lucian @ c:irua:119408 |
Serial |
3636 |
Permanent link to this record |
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|
|
Author |
Engelmann; Bogaerts, A.; Neyts, E.C. |
Title |
Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
6 |
Issue |
20 |
Pages |
11981-11987 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
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Wos |
000343000800049 |
Publication Date |
2014-07-24 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
Call Number |
UA @ lucian @ c:irua:121106 |
Serial |
3637 |
Permanent link to this record |
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|
Author |
Compernolle, T.; Van Passel, S.; Huisman, K.; Kort, P. |
Title |
The option to abandon : stimulating innovative groundwater remediation technologies characterized by technological uncertainty |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
Volume |
496 |
Issue |
|
Pages |
63-74 |
Keywords |
A1 Journal article; Economics |
Abstract |
Many studies on technology adoption demonstrate that uncertainty leads to a postponement of investments by integrating a wait option in the economic analysis. The aim of this study however is to demonstrate how the investment in new technologies can be stimulated by integrating an option to abandon. Furthermore, this real option analysis not only considers the ex ante decision analysis of the investment in a new technology under uncertainty, but also allows for an ex post evaluation of the investment. Based on a case study regarding the adoption of an innovative groundwater remediation strategy, it is demonstrated that when the option to abandon the innovative technology is taken into account, the decision maker decides to invest in this technology, while at the same time it determines an optimal timing to abandon the technology if its operation proves to be inefficient. To reduce uncertainty about the effectiveness of groundwater remediation technologies, samples are taken. Our analysis shows that when the initial belief in an effective innovative technology is low, it is important that these samples provide correct information in order to justify the adoption of the innovative technology. (C) 2014 Elsevier B.V. All rights reserved. |
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 |
000342245600009 |
Publication Date |
2014-07-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0048-9697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
Impact Factor |
4.9 |
Times cited |
4 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 4.9; 2014 IF: 4.099 |
Call Number |
UA @ admin @ c:irua:119931 |
Serial |
6269 |
Permanent link to this record |
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Author |
van Winsen, F.; de Mey, Y.; Lauwers, L.; Van Passel, S.; Vancauteren, M.; Wauters, E. |
Title |
Determinants of risk behaviour : effects of perceived risks and risk attitude on farmer's adoption of risk management strategies |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal Of Risk Research |
Abbreviated Journal |
J Risk Res |
Volume |
19 |
Issue |
1 |
Pages |
56-78 |
Keywords |
A1 Journal article; Sociology; Engineering Management (ENM) |
Abstract |
The importance of risk perception and risk attitude for understanding individual's risk behaviour are independently well described in literature, but rarely combined in an integrated approach. In this study, we propose a model assuming the choice to implement certain risk management strategies to be directly driven by both perceptions of risks and risk attitude. Other determinants influence the intention to apply different risk strategies mainly indirectly, mediated by risk perception and risk attitude. This conceptual model is empirically tested, using structural equation modelling, for understanding the intention of farmers to implement different common risk management strategies at their farms. Data are gathered in a survey completed by 500 farmers from the Flanders region in Belgium, investigating attitudes towards farming, perceived past exposure to risk, socio-demographic characteristics, farm size, perceptions of the major sources of farm business risk, risk attitudes and the intention to apply common risk management strategies. Our major findings are: (i) perception of major farm business risks have no significant impact on the intention of applying any of the risk strategies under study, (ii) risk attitude does have a significant impact. Therefore, rather than objective risk faced and the subjective interpretation thereof, it is the general risk attitude that influence intended risk strategies to be implemented. A distinction can be made between farmers willing to take risk, who are more inclined to apply ex-ante risk management strategies and risk averse farmers who are less inclined to implement ex-ante risk management strategies but rather cope with the consequences and diminish their effects ex-post when risks have occurred. |
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 |
000365523100004 |
Publication Date |
2014-07-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1366-9877 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.34 |
Times cited |
25 |
Open Access |
|
Notes |
; This work was supported by the agency for Innovation by Science and Technology [grant number 080508]. ; |
Approved |
Most recent IF: 1.34 |
Call Number |
UA @ admin @ c:irua:130188 |
Serial |
6177 |
Permanent link to this record |
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Author |
Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. |
Title |
Spin-valley filtering in strained graphene structures with artificially induced carrier mass and spin-orbit coupling |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
113 |
Issue |
4 |
Pages |
046601 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interplay of massive electrons with spin-orbit coupling in bulk graphene results in a spin-valley dependent gap. Thus, a barrier with such properties can act as a filter, transmitting only opposite spins from opposite valleys. In this Letter we show that a strain induced pseudomagnetic field in such a barrier will enforce opposite cyclotron trajectories for the filtered valleys, leading to their spatial separation. Since spin is coupled to the valley in the filtered states, this also leads to spin separation, demonstrating a spin-valley filtering effect. The filtering behavior is found to be controllable by electrical gating as well as by strain. |
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 |
000339620300013 |
Publication Date |
2014-07-23 |
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 |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
90 |
Open Access |
|
Notes |
; This work was supported by the Serbian Ministry of Education, Science, and Technological Development, the Flemish Science Foundation (FWO-V1), and the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 8.462; 2014 IF: 7.512 |
Call Number |
UA @ lucian @ c:irua:118731 |
Serial |
3104 |
Permanent link to this record |
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Author |
Tytgat, T.; Hauchecorne, B.; Smits, M.; Verbruggen, S.; Lenaerts, S. |
Title |
Concept and validation of a fully automated photocatalytic test setup |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of laboratory automation |
Abbreviated Journal |
Jala-J Lab Autom |
Volume |
17 |
Issue |
2 |
Pages |
134-143 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Photocatalytic activity can be studied by several methods, each with its own strengths and weaknesses. To study photocatalytic activity in an easy, user-friendly, and realistic way, a completely new setup has been built. The setup is modularly constructed around Fourier transform infrared spectroscopy (FTIR) spectroscopy at the heart of it, resulting in great versatility. Complementary software has been written for automatic control of the setup and for processing the generated data. Two pollutants, oil and n-octane, are tested to validate the performance of the setup. These validation experiments confirm the usefulness and added value of the setup in general and of the FTIR detection methodology as well. It becomes clear that a system of online measurements with good repeatability, accuracy, and user-friendliness has been created. |
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 |
000304775300006 |
Publication Date |
2014-07-23 |
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 |
|
ISSN |
2211-0682 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.85 |
Times cited |
15 |
Open Access |
|
Notes |
; The authors disclosed receipt of the following financial support for the research and/or authorship of this article: This work was supported by a Ph.D. grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and by a Ph.D. grant (S. Verbruggen) from the Research Foundation of Flanders (FWO). Other funding was made possible by the University of Antwerp. ; |
Approved |
Most recent IF: 2.85; 2012 IF: 1.457 |
Call Number |
UA @ admin @ c:irua:96649 |
Serial |
5935 |
Permanent link to this record |
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Author |
Scuracchio, P.; Costamagna; Peeters, F.M.; Dobry, A. |
Title |
Role of atomic vacancies and boundary conditions on ballistic thermal transport in graphene nanoribbons |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
3 |
Pages |
035429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Quantum thermal transport in armchair and zigzag graphene nanoribbons is investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and energy dispersions as given by a fifth-nearest-neighbor force-constant model (5NNFCM) and by elasticity theory of continuum membranes (ETCM). For free-edge ribbons, we discuss the behavior of an additional acoustic edge-localized flexural mode, known as fourth acoustic branch (4ZA), which has a small gap when it is obtained by the 5NNFCM. Then, we show that ribbons with supported edges have a sample-size dependent energy gap in the phonon spectrum which is particularly large for in-plane modes. Irrespective to the calculation method and the boundary condition, the dependence of the energy gap for the low-energy optical phonon modes against the ribbon width W is found to be proportional to 1/W for in-plane, and 1/W-2 for out-of-plane phonon modes. Using the 5NNFCM, the ballistic thermal conductance and its contributions from every single phonon mode are then obtained by the nonequilibrium Green's function technique. We found that, while edge and central localized single atomic vacancies do not affect the low-energy transmission function of in-plane phonon modes, they reduce considerably the contributions of the flexural modes. On the other hand, in-plane modes contributions are strongly dependent on the boundary conditions and at low temperatures can be highly reduced in supported-edge samples. These findings could open a route to engineer graphene based devices where it is possible to discriminate the relative contribution of polarized phonons and to tune the thermal transport on the nanoscale. |
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 |
000339443800009 |
Publication Date |
2014-07-21 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
20 |
Open Access |
|
Notes |
; Discussions with S. D. Dalosto and K. H. Michel are gratefully acknowledged. This work was partially supported by PIP 11220090100392 of CONICET (Argentina) and the Flemish Science Foundation (FWO-VI). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:118698 |
Serial |
2911 |
Permanent link to this record |
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Author |
Yan, Y.; Liao, Z.M.; Ke, X.; Van Tendeloo, G.; Wang, Q.; Sun, D.; Yao, W.; Zhou, S.; Zhang, L.; Wu, H.C.; Yu, D.P.; |
Title |
Topological surface state enhanced photothermoelectric effect in Bi2Se3 nanoribbons |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
Volume |
14 |
Issue |
8 |
Pages |
4389-4394 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The photothermoelectric effect in topological insulator Bi2Se3 nanoribbons is studied. The topological surface states are excited to be spin-polarized by circularly polarized light. Because the direction of the electron spin is locked to its momentum for the spin-helical surface states, the photothermoelectric effect is significantly enhanced as the oriented motions of the polarized spins are accelerated by the temperature gradient. The results are explained based on the microscopic mechanisms of a photon induced spin transition from the surface Dirac cone to the bulk conduction band. The as-reported enhanced photothermoelectric effect is expected to have potential applications in a spin-polarized power source. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington |
Editor |
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Language |
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Wos |
000340446200028 |
Publication Date |
2014-07-21 |
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 |
|
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.712 |
Times cited |
51 |
Open Access |
|
Notes |
European Research Council under the Seventh Framework Program (FP7); ERC Advanced Grant No. 246791-COUNTATOMS. |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
Call Number |
UA @ lucian @ c:irua:118128 |
Serial |
3678 |
Permanent link to this record |
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Author |
Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.; |
Title |
Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
Volume |
24 |
Issue |
37 |
Pages |
5841-5850 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000342794500008 |
Publication Date |
2014-07-19 |
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 |
|
ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 12.124; 2014 IF: 11.805 |
Call Number |
UA @ lucian @ c:irua:121085 |
Serial |
3686 |
Permanent link to this record |
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Author |
Kuppens, T.; Van Dael, M.; Vanreppelen, K.; Thewys, T.; Yperman, J.; Carleer, R.; Schreurs, S.; Van Passel, S. |
Title |
Techno-economic assessment of fast pyrolysis for the valorization of short rotation coppice cultivated for phytoextraction |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
Volume |
88 |
Issue |
|
Pages |
336-344 |
Keywords |
A1 Journal article; Engineering Management (ENM) |
Abstract |
The main barrier in the commercialization of phytoextraction as a sustainable alternative for remediating metal contaminated soils is its long time period, which can be countered by biomass valorization. From an environmental point of view, fast pyrolysis of the biomass is promising because its lower process temperature prevents metal volatilization. The remaining question is whether fast pyrolysis is also preferred from an economic point of view. Therefore, a techno-economic assessment of fast pyrolysis has been performed for a case study in the Campine region in Belgium. For this region, willow trees cultivated in short rotation have the right characteristics to serve as a phytoextracting crop. A techno-economic assessment requires by definition a multidisciplinary approach. The problem statement urges for a focus on the economic profitability from the viewpoint of an investor, including economic risk analysis. Fast pyrolysis seems more profitable than gasification. The profit is dependent on the scale of operation, the policy support (subsidies) and the oil yield. The economic risk can be reduced by increasing the scale of operation by means of complementing feedstocks, and by valorization of the char byproduct by subsequent processing to activated carbon. (C) 2014 Elsevier Ltd. All rights reserved. |
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 |
000347771100036 |
Publication Date |
2014-07-19 |
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 |
|
ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.715 |
Times cited |
36 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 5.715; 2015 IF: 3.844 |
Call Number |
UA @ admin @ c:irua:127539 |
Serial |
6264 |
Permanent link to this record |
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Author |
Zhou, C.; Ji, G.; Chen, Z.; Wang, M.; Addad, A.; Schryvers, D.; Wang, H. |
Title |
Fabrication, interface characterization and modeling of oriented graphite flakes/Si/Al composites for thermal management applications |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Materials and design |
Abbreviated Journal |
Mater Design |
Volume |
63 |
Issue |
|
Pages |
719-728 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Highly thermally conductive graphite flakes (Gf)/Si/Al composites have been fabricated using Gf, Si powder and an AlSi7Mg0.3 alloy by an optimized pressure infiltration process for thermal management applications. In the composites, the layers of Gf were spaced apart by Si particles and oriented perpendicular to the pressing direction, which offered the opportunity to tailor the thermal conductivity (TC) and coefficient of thermal expansion (CTE) of the composites. Microstructural characterization revealed that the formation of a clean and tightly-adhered interface at the nanoscale between the side surface of the Gf and Al matrix, devoid of a detrimental Al4C3 phase and a reacted amorphous AlSiOC layer, contributed to excellent thermal performance along the alignment direction. With increasing volume fraction of Gf from 13.7 to 71.1 vol.%, the longitudinal (i.e. parallel to the graphite layers) TC of the composites increased from 179 to 526 W/m K, while the longitudinal CTE decreased from 12.1 to 7.3 ppm/K (matching the values of electronic components). Furthermore, the modified layers-in-parallel model better fitted the longitudinal TC data than the layers-in-parallel model and confirmed that the clean and tightly-adhered interface is favorable for the enhanced longitudinal TC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Reigate |
Editor |
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Language |
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Wos |
000340949300086 |
Publication Date |
2014-07-17 |
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 |
|
ISSN |
0261-3069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
61 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:118124 |
Serial |
1166 |
Permanent link to this record |
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Author |
Monico, L.; Janssens, K.; Hendriks, E.; Brunetti, B.G.; Miliani, C. |
Title |
Raman study of different crystalline forms of PbCrO4 and PbCr1-xSxO4 solid solutions for the noninvasive identification of chrome yellows in paintings : a focus on works by Vincent van Gogh |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of Raman spectroscopy |
Abbreviated Journal |
J Raman Spectrosc |
Volume |
45 |
Issue |
11-12 |
Pages |
1034-1045 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Chrome yellows, a class of pigments frequently used by painters of the Impressionism and Post-impressionism period, are known for their different chemical stability; the latter depends on the chemical composition (PbCrO4, PbCr1-xSxO4) and crystalline structure (monoclinic or orthorhombic) of the material. The possibility to distinguish among different forms of this pigment is therefore relevant in order to extend knowledge on the corresponding degradation process that is observed on several original paintings. For this purpose, three paintings conserved at the Van Gogh Museum (Amsterdam) were analyzed using noninvasive Raman spectroscopy, while equivalent investigations employing bench-top instrumentation were performed to obtain information from micro-samples originating from these works of art. In each painting, the chrome yellow was identified either as monoclinic PbCrO4 or in the form of monoclinic PbCr1-xSxO4 (x<0.25) or S-rich orthorhombic PbCr1-xSxO4 (x similar to 0.5). Our ability to make this fairly subtle distinction is based on a Raman study of several oil paint model samples made up of monoclinic and/or orthorhombic crystalline forms of PbCrO4 and PbCr1-xSxO4 (0.1x0.8). These paints were studied using several excitation wavelengths (namely 785.0, 532.0, 514.5, and 488nm). Because of the absence of the resonance Raman effect, which strongly enhances the chromate symmetric stretching band, and the absence of any laser-induced photodecomposition, it is advantageous to acquire data at 785.0nm. The band-shape and the position of the chromate bending modes proved to be more sensitive to the solid solution composition and crystalline structure than the stretching modes and can be used as distinctive spectral markers to discriminate among the different chrome yellow forms that are present. Copyright (c) 2014 John Wiley & Sons, Ltd. |
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 |
000346912700008 |
Publication Date |
2014-07-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0377-0486 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.969 |
Times cited |
34 |
Open Access |
|
Notes |
; This research was supported by Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA) and also presents results from GOA 'XANES meets ELNES' (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. The analysis of the paintings Sunflowers gone to seed, Bank of the Seine, and Portrait of Gauguin was performed within the mobile laboratory access activity of the FP7 programme CHARISMA supported by EC (Grant Agreement 228330). LM acknowledges the Italian National Research Council (CNR) for the financial support in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Muriel Geldof, Cultural Heritage Agency of The Netherlands, for selecting and sharing the information on the cross-sections and to the staff of the Van Gogh Museum for the agreeable cooperation. ; |
Approved |
Most recent IF: 2.969; 2014 IF: 2.671 |
Call Number |
UA @ admin @ c:irua:122841 |
Serial |
5798 |
Permanent link to this record |
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|
|
Author |
da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
Title |
Analytical study of the energy levels in bilayer graphene quantum dots |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
78 |
Issue |
|
Pages |
392-400 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000341463900042 |
Publication Date |
2014-07-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
35 |
Open Access |
|
Notes |
; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; |
Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
Call Number |
UA @ lucian @ c:irua:119280 |
Serial |
109 |
Permanent link to this record |
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|
Author |
Schryvers, D. |
Title |
SAED and HREM results suggest a NiTi B19' based superstructure for CuZr martensite |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal de physique: colloques, suppléments |
Abbreviated Journal |
|
Volume |
5 |
Issue |
8 |
Pages |
1047-1052 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
|
Language |
|
Wos |
A1995TX21300085 |
Publication Date |
2014-07-16 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:13168 |
Serial |
2939 |
Permanent link to this record |
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Author |
Schryvers, D.; Toth, L.; van Humbeeck, J.; Beyer, J. |
Title |
Ni2Al versus Ni5Al3 ordering in Ni65Al35 austenite and martensite |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal de physique: colloques, suppléments |
Abbreviated Journal |
|
Volume |
5 |
Issue |
8 |
Pages |
1029-1034 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
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Place of Publication |
Les Ulis |
Editor |
|
Language |
|
Wos |
A1995TX21300082 |
Publication Date |
2014-07-16 |
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 |
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:13167 |
Serial |
3548 |
Permanent link to this record |
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Author |
N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton |
Title |
Atomic scale real-space mapping of holes in YBa2Cu3O6+δ |
Type |
A1 Journal Article |
Year |
2014 |
Publication |
Nature Communications |
Abbreviated Journal |
|
Volume |
5 |
Issue |
|
Pages |
4275 |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
Abstract |
The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor. |
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 |
000340615100002 |
Publication Date |
2014-07-16 |
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 |
|
ISSN |
|
ISBN |
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Additional Links |
|
Impact Factor |
|
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
EMAT @ emat @ |
Serial |
4542 |
Permanent link to this record |
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Author |
Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K. |
Title |
A multidimensional indicator set to assess the benefits of WEEE material recycling |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
Volume |
83 |
Issue |
|
Pages |
305-316 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved. |
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 |
000343781500030 |
Publication Date |
2014-07-11 |
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 |
|
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:121160 |
Serial |
7393 |
Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. |
Title |
High throughput first-principles calculations of bixbyite oxides for TCO applications |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
16 |
Issue |
33 |
Pages |
17724-17733 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000341064800041 |
Publication Date |
2014-07-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
|
Notes |
; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
Call Number |
UA @ lucian @ c:irua:118263 |
Serial |
1469 |
Permanent link to this record |
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|
Author |
Pilehvar, S.; Dierckx, T.; Blust, R.; Breugelmans, T.; De Wael, K. |
Title |
An electrochemical impedimetric aptasensing platform for sensitive and selective detection of small molecules such as chloramphenicol |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Sensors |
Abbreviated Journal |
Sensors-Basel |
Volume |
14 |
Issue |
7 |
Pages |
12059-12069 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT) |
Abstract |
We report on the aptadetection of chloramphenicol (CAP) using electrochemical impedance spectroscopy. The detection principle is based on the changes of the interfacial properties of the electrode after the interaction of the ssDNA aptamers with the target molecules. The electrode surface is partially blocked due to the formation of the aptamer-CAP complex, resulting in an increase of the interfacial electron-transfer resistance of the redox probe detected by electrochemical impedance spectroscopy or cyclic voltammetry. We observed that the ratio of polarization resistance had a linear relationship with the concentrations of CAP in the range of 1.76127 nM, and a detection limit of 1.76 nM was obtained. The covalent binding of CAP-aptamer on the electrode surface combined with the unique properties of aptamers and impedimetric transduction leads to the development of a stable and sensitive electrochemical aptasensor for CAP. |
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 |
000340035700041 |
Publication Date |
2014-07-07 |
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 |
|
ISSN |
1424-8220 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.677 |
Times cited |
34 |
Open Access |
|
Notes |
; We are thankful to UA-DOCPRO and UA-BOFACA for financial support. ; |
Approved |
Most recent IF: 2.677; 2014 IF: 2.245 |
Call Number |
UA @ admin @ c:irua:117845 |
Serial |
5592 |
Permanent link to this record |
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|
Author |
Boulay, E.; Nakano, J.; Turner, S.; Idrissi, H.; Schryvers, D.; Godet, S. |
Title |
Critical assessments and thermodynamic modeling of BaO-SiO2 and SiO2-TiO2 systems and their extensions into liquid immiscibility in the BaO-SiO2-TiO2 system |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Calphad computer coupling of phase diagrams and thermochemistry |
Abbreviated Journal |
Calphad |
Volume |
47 |
Issue |
|
Pages |
68-82 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This study discusses rational reproduction of liquid immiscibility in the BaO-SiO2-TiO2 system. While a ternary assessment requires sub-binary descriptions in the same thermodynamic model, the related sub-binary systems BaO-SiO2, BaO-TiO2 and SiO2-TiO2 liquid and solid phases have been evaluated using different thermodynamic models in the literature. In this study, BaO-SiO2 and SiO2-TiO2 were assessed using the Ionic Two Sublattice model (I2SL) based on experimental data from the literature. BaO-TiO2 was already assessed using this model. Binary descriptions developed were then used for the assessment of liquid immiscibility in the BaO-SiO2-TiO2 system. Ternary interaction parameters were found necessary for rational reproduction of the new ternary experimental data gathered in the present work. The model parameters for each system were evaluated using a CAPLHAD approach. A set of parameters is proposed. They show good agreement between the calculated and experimental equilibrium liquidus, liquid immiscibility and thermochemical properties in the BaO-SiO2-TiO2 system. (C) 2014 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
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Wos |
000346224700008 |
Publication Date |
2014-07-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0364-5916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.6 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.6; 2014 IF: 1.370 |
Call Number |
UA @ lucian @ c:irua:122776 |
Serial |
540 |
Permanent link to this record |
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Author |
Filippousi, M.; Angelakeris, M.; Katsikini, M.; Paloura, E.; Efthimiopoulos, I.; Wang, Y.; Zamboulis, D.; Van Tendeloo, G. |
Title |
Surfactant effects on the structural and magnetic properties of iron oxide nanoparticles |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
118 |
Issue |
29 |
Pages |
16209-16217 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Iron oxide nanoparticles were prepared using the simplest and most efficient chemical route, the coprecipitation, in the absence and the presence of three different and widely used surfactants. The purpose of this study is to investigate the possible influence of the different surfactants on the structure and therefore on the magnetic properties of the iron oxide nanoparticles. Thus, different techniques were employed in order to elucidate the composition and structure of the magnetic iron oxide nanoparticles. By combining transmission electron microscopy with X-ray powder diffraction and X-ray absorption fine structure measurements, we were able to determine and confirm the crystal structure of the constituent iron oxides. The magnetic properties were investigated by measuring the hysteresis loops where the surfactant influence on their collective magnetic behavior and subsequent AC magnetic hyperthermia response is apparent. The results indicate that the produced iron oxide nanoparticles may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field, which is sufficient to provoke damage to the cancer cells. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000339540700073 |
Publication Date |
2014-07-04 |
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 |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
47 |
Open Access |
|
Notes |
European Research Council under the seventh Framework Program (FP7); ERC Grant No. 246791 – COUNTATOMS; IAP-AIP functional Supramolecular structure IUAP P7/05 |
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
Call Number |
UA @ lucian @ c:irua:118129 |
Serial |
3398 |
Permanent link to this record |
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Author |
Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A. |
Title |
Nanofilms as effectively multiband superconductors: Intraband-pairing approximation and Ginzburg-Landau theory |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
Volume |
455 |
Issue |
|
Pages |
3-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
It is well-known that the Ginzburg-Landau (GL) theory is a reliable and powerful theoretical tool to investigate the magnetic response of a superconducting state. However, in its standard form, this approach is not applicable to atomically uniform nano-thin superconducting films which are effective multiband superconductors. Here we discuss a relevant generalization of the GL theory, focusing on the underlying intraband-pairing approximation. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000344239200002 |
Publication Date |
2014-07-03 |
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 |
|
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.386 |
Times cited |
1 |
Open Access |
|
Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-VI), and the Methusalem program. A.A.S. acknowledges the support of the Brazilian agencies CNPq and FACEPE (APQ-0589-1.05/08). ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
Call Number |
UA @ lucian @ c:irua:121192 |
Serial |
2256 |
Permanent link to this record |
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Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
Title |
Doping of rhenium disulfide monolayers : a systematic first principles study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
16 |
Issue |
31 |
Pages |
16771-16779 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000340075700048 |
Publication Date |
2014-07-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
58 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
Call Number |
UA @ lucian @ c:irua:118742 |
Serial |
752 |
Permanent link to this record |
|
|
|
Author |
Javon, E.; Lubk; Cours, R.; Reboh, S.; Cherkashin, N.; Houdellier, F.; Gatel, C.; Hytch, M.J. |
Title |
Dynamical effects in strain measurements by dark-field electron holography |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
147 |
Issue |
|
Pages |
70-85 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Here, we study the effect of dynamic scattering on the projected geometric phase and strain maps reconstructed using dark-field electron holography (DFEH) for non-uniformly strained crystals. The investigated structure consists of a {SiGe/Si} superlattice grown on a (001)-Si substrate. The three dimensional strain held within the thin TEM lamella is modelled by the finite element method. The observed projected strain is simulated in two ways by multiplying the strain at each depth in the crystal by a weighting function determined from a recently developed analytical two-beam dynamical theory, and by simply taking the average value. We demonstrate that the experimental results need to be understood in terms of the dynamical theory and good agreement is found between the experimental and simulated results. Discrepancies do remain for certain cases and are likely to be from an imprecision in the actual two-beam diffraction conditions, notably the deviation parameter, and points to limitations in the 2-beam approximation. Finally, a route towards a 3D reconstruction of strain fields is proposed. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000343157400009 |
Publication Date |
2014-07-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
Call Number |
UA @ lucian @ c:irua:121108 |
Serial |
769 |
Permanent link to this record |
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|
|
Author |
Mai, H.H.; Kaydashev, V.E.; Tikhomirov, V.K.; Janssens, E.; Shestakov, M.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Moshchalkov, V.V.; Lievens, P. |
Title |
Nonlinear optical properties of Ag nanoclusters and nanoparticles dispersed in a glass host |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
118 |
Issue |
29 |
Pages |
15995-16002 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The nonlinear absorption of Ag atomic clusters and nanoparticles dispersed in a transparent oxyfluoride glass host has been studied. The as-prepared glass, containing 0.15 atom % Ag, shows an absorption band in the UV/violet attributed to the presence of amorphous Ag atomic nanoclusters with an average size of 1.2 nm. Upon heat treatment the Ag nanoclusters coalesce into larger nanoparticles that show a surface plasmon absorption band in the visible. Open aperture z-scan experiments using 480 nm nanosecond laser pulses demonstrated nonsaturated and saturated nonlinear absorption with large nonlinear absorption indices for the Ag nanoclusters and nanoparticles, respectively. These properties are promising, e.g., for applications in optical limiting and objects contrast enhancement. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000339540700049 |
Publication Date |
2014-07-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
43 |
Open Access |
|
Notes |
FWO; Methusalem; funding from the European Research Council under the seventh Framework Program (FP7); ERC Grant 246791 COUNTATOMS and the EC project IFOX. |
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
Call Number |
UA @ lucian @ c:irua:118626 |
Serial |
2353 |
Permanent link to this record |
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|
Author |
Shen, Y.; Turner, S.; Yang, P.; Van Tendeloo, G.; Lebedev, O.I.; Wu, T. |
Title |
Epitaxy-enabled vapor-liquid-solid growth of tin-doped indium oxide nanowires with controlled orientations |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
Volume |
14 |
Issue |
8 |
Pages |
4342-4351 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Controlling the morphology of nanowires in bottom-up synthesis and assembling them on planar substrates is of tremendous importance for device applications in electronics, photonics, sensing and energy conversion. To date, however, there remain challenges in reliably achieving these goals of orientation-controlled nanowire synthesis and assembly. Here we report that growth of planar, vertical and randomly oriented tin-doped indium oxide (ITO) nanowires can be realized on yttria-stabilized zirconia (YSZ) substrates via the epitaxy-assisted vaporliquidsolid (VLS) mechanism, by simply regulating the growth conditions, in particular the growth temperature. This robust control on nanowire orientation is facilitated by the small lattice mismatch of 1.6% between ITO and YSZ. Further control of the orientation, symmetry and shape of the nanowires can be achieved by using YSZ substrates with (110) and (111), in addition to (100) surfaces. Based on these insights, we succeed in growing regular arrays of planar ITO nanowires from patterned catalyst nanoparticles. Overall, our discovery of unprecedented orientation control in ITO nanowires advances the general VLS synthesis, providing a robust epitaxy-based approach toward rational synthesis of nanowires. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington |
Editor |
|
Language |
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Wos |
000340446200022 |
Publication Date |
2014-06-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.712 |
Times cited |
33 |
Open Access |
|
Notes |
European Union Seventh Framework Programme under Grant 312483 – ESTEEM; FWOl; esteem2_ta |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
Call Number |
UA @ lucian @ c:irua:118622 |
Serial |
1075 |
Permanent link to this record |
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|
|
Author |
Goris, B.; Guzzinati, G.; Fernández-López, C.; Pérez-Juste, J.; Liz-Marzán, L.M.; Trügler, A.; Hohenester, U.; Verbeeck, J.; Bals, S.; Van Tendeloo, G. |
Title |
Plasmon mapping in Au@Ag nanocube assemblies |
Type |
A1 Journal article |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
118 |
Issue |
28 |
Pages |
15356-15362 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Surface plasmon modes in metallic nanostructures largely determine their optoelectronic properties. Such plasmon modes can be manipulated by changing the morphology of the nanoparticles or by bringing plasmonic nanoparticle building blocks close to each other within organized assemblies. We report the EELS mapping of such plasmon modes in pure Ag nanocubes, Au@Ag coreshell nanocubes, and arrays of Au@Ag nanocubes. We show that these arrays enable the creation of interesting plasmonic structures starting from elementary building blocks. Special attention will be dedicated to the plasmon modes in a triangular array formed by three nanocubes. Because of hybridization, a combination of such nanotriangles is shown to provide an antenna effect, resulting in strong electrical field enhancement at the narrow gap between the nanotriangles. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000339368700031 |
Publication Date |
2014-06-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
41 |
Open Access |
OpenAccess |
Notes |
Fwo; 246791 Countatoms; 278510 Vortex; 335078 Colouratom; 262348 Esmi ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
Call Number |
UA @ lucian @ c:irua:118099UA @ admin @ c:irua:118099 |
Serial |
2644 |
Permanent link to this record |
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|
Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. |
Title |
Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
47 |
Issue |
29 |
Pages |
293001 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
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Wos |
000338860300001 |
Publication Date |
2014-06-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
Call Number |
UA @ lucian @ c:irua:117853 |
Serial |
472 |
Permanent link to this record |
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|
Author |
Xie, L.; Brault, P.; Coutanceau, C.; Bauchire, J.-M.; Caillard, A.; Baranton, S.; Berndt, J.; Neyts, E.C. |
Title |
Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
Volume |
162 |
Issue |
162 |
Pages |
21-26 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Ptsubstrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000343686900003 |
Publication Date |
2014-06-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.446 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.446; 2015 IF: 7.435 |
Call Number |
c:irua:117949 |
Serial |
874 |
Permanent link to this record |
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|
Author |
Shenderova, O.; Vargas, A.; Turner, S.; Ivanov, D.M.; Ivanov, M.G. |
Title |
Nanodiamond-based nanolubricants : investigation of friction surfaces |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Tribology transactions |
Abbreviated Journal |
Tribol T |
Volume |
57 |
Issue |
6 |
Pages |
1051-1057 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Synergistic compositions of detonation nanodiamond (DND) particles with polytetrafluoroethylene and molybdenum dialkyldithiophosphate were used in ring-on-ring, four-ball, and block-on-ring tests as an additive to polyalphaolefins and engine oils. Modest to significant reductions in the friction coefficients, wear, or both were observed. In the wear scars produced in the block-on-ring tests, the friction surfaces were characterized by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and profilometry. Significant polishing effects of the friction surfaces in lubricants containing DND were revealed in SEM observations and roughness measurements. The roughness of the scar surfaces produced in the presence of DND additives was about 35% lower than the roughness of the scars observed in pure oil experiments. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Park Ridge, Ill. |
Editor |
|
Language |
|
Wos |
000345317900009 |
Publication Date |
2014-06-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1040-2004;1547-397X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.685 |
Times cited |
23 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.685; 2014 IF: 1.349 |
Call Number |
UA @ lucian @ c:irua:122161 |
Serial |
2252 |
Permanent link to this record |