Records |
Author |
Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. |
Title |
Diffusion of fluorine on and between graphene layers |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
014304 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000349125800002 |
Publication Date |
2015-01-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132561 |
Serial |
4161 |
Permanent link to this record |
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|
|
Author |
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
Title |
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
117 |
Issue |
117 |
Pages |
015104 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
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Wos |
000347958600055 |
Publication Date |
2015-01-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
|
Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:122064 |
Serial |
1215 |
Permanent link to this record |
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|
|
Author |
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
Title |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
106 |
Issue |
106 |
Pages |
011602 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000347976900008 |
Publication Date |
2015-01-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2015 IF: 3.302 |
Call Number |
c:irua:122300 |
Serial |
1679 |
Permanent link to this record |
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Author |
Shestakov, M.V.; Meledina, M.; Turner, S.; Baekelant, W.; Verellen, N.; Chen, X.; Hofkens, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
Title |
Luminescence of fixed site Ag nanoclusters in a simple oxyfluoride glass host and plasmon absorption of amorphous Ag nanoparticles in a complex oxyfluoride glass host |
Type |
P1 Proceeding |
Year |
2015 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 – 8th International Conference on Photonics, Devices, and System VI, AUG 27-29, 2014, Prague, CZECH REPUBLIC |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
Unsp 94501n |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
Abstract |
Ag nanocluster-doped glasses have been prepared by a conventional melt-quenching method. The effect of melt temperature and dwell time on the formation of Ag nanoclusters and Ag nanoparticles in simple host oxyfluoride glasses has been studied. The increase of melt temperature and dwell time results in the dissolution of Ag nanoparticles and substantial red-shift of absorption and photoluminescence spectra of the prepared glasses. The quantum yield of the glasses is similar to 5% and does not depend on melt temperature and dwell time. The prepared glasses may be used as red phosphors or down-conversion layers for solar-cells. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Spie-int soc optical engineering |
Place of Publication |
Bellingham |
Editor |
|
Language |
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Wos |
000349404500057 |
Publication Date |
2015-01-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
9450 |
Series Issue |
|
Edition |
|
ISSN |
978-1-62841-566-7 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:144783 |
Serial |
4668 |
Permanent link to this record |
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|
|
Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
Title |
Ab initio study of shallow acceptors in bixbyite V2O3 |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
117 |
Issue |
117 |
Pages |
015703 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000347958600067 |
Publication Date |
2015-01-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
|
Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
Call Number |
c:irua:122728 |
Serial |
35 |
Permanent link to this record |
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Author |
Colla, M.-S.; Amin-Ahmadi, B.; Idrissi, H.; Malet, L.; Godet, S.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
Title |
Dislocation-mediated relaxation in nanograined columnar palladium films revealed by on-chip time-resolved HRTEM testing |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
Volume |
6 |
Issue |
6 |
Pages |
5922 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The high-rate sensitivity of nanostructured metallic materials demonstrated in the recent literature is related to the predominance of thermally activated deformation mechanisms favoured by a large density of internal interfaces. Here we report time-resolved high-resolution electron transmission microscopy creep tests on thin nanograined films using on-chip nanomechanical testing. Tests are performed on palladium, which exhibited unexpectedly large creep rates at room temperature. Despite the small 30-nm grain size, relaxation is found to be mediated by dislocation mechanisms. The dislocations interact with the growth nanotwins present in the grains, leading to a loss of coherency of twin boundaries. The density of stored dislocations first increases with applied deformation, and then decreases with time to drive additional deformation while no grain boundary mechanism is observed. This fast relaxation constitutes a key issue in the development of various micro- and nanotechnologies such as palladium membranes for hydrogen applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
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Wos |
000348742300002 |
Publication Date |
2015-01-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
34 |
Open Access |
|
Notes |
Iap7/21; Fwo G012012n |
Approved |
Most recent IF: 12.124; 2015 IF: 11.470 |
Call Number |
c:irua:122045 |
Serial |
731 |
Permanent link to this record |
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|
Author |
Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. |
Title |
Rippling, buckling, and melting of single- and multilayer MoS2 |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
014101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multilayer (ML) molybdenum disulfide (MoS2). The amplitude of the intrinsic ripples of SL MoS2 are found to be smaller than those exhibited by graphene (GE). Furthermore, because of the van der Waals interaction between layers, the out-of-plane thermal fluctuations of ML MoS2 decreases rapidly with increasing number of layers. This trend is confirmed by the buckling transition due to uniaxial stress which occurs for a significantly larger applied tension as compared to graphene. For SL MoS2, the melting temperature is estimated to be 3700 K which occurs through dimerization followed by the formation of small molecules consisting of two to five atoms. When different types of vacancies are inserted in the SL MoS2 it results in a decrease of both the melting temperature as well as the stiffness. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000347921300001 |
Publication Date |
2015-01-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
Notes |
; This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Foundation of the Flemish Government. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. We would like to thanks Prof. Douglas E. Spearot [26] for giving us the implemented parameters of Mo-S in LAMMPS. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:123834 |
Serial |
2909 |
Permanent link to this record |
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Author |
Chen, Z.; Tan, Z.; Ji, G.; Schryvers, D.; Ouyang, Q.; Li, Z. |
Title |
Effect of interface evolution on thermal conductivity of vacuum hot pressed SiC/Al composites |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Advanced engineering materials |
Abbreviated Journal |
Adv Eng Mater |
Volume |
17 |
Issue |
17 |
Pages |
1076-1084 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The SiC/Al composites have been fabricated by a vacuum hot pressing (VHP) process in order to study the effect of interface evolution on the global thermal conductivity (TC). By optimizing the VHP parameters of sintering temperature and time, the three different kinds of SiC/Al interface configurations, that is, non-bonded, diffusion-bonded, and reaction-bonded interfaces, are formed and identified by measurement of relative density, X-ray diffraction, scanning and (high-resolution) transmission electron microscopy. The VHPed composite sintered at 655 °C for 60 min is fully dense and presents a tightly-adhered and clean SiC/Al interface at the nanoscale, the ideal diffusion-bonded interface being the most favorable for minimizing interfacial thermal resistance, which in turn results in the highest TC of around 270 W/mK. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000357680700019 |
Publication Date |
2015-01-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1438-1656; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.319 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.319; 2015 IF: 1.758 |
Call Number |
c:irua:123000 |
Serial |
818 |
Permanent link to this record |
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Author |
Huijben, M.; Liu, Y.; Boschker, H.; Lauter, V.; Egoavil, R.; Verbeeck, J.; te Velthuis, S.G.E.; Rijnders, G.; Koster, G. |
Title |
Enhanced local magnetization by interface engineering in perovskite-type correlated oxide heterostructures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
Volume |
2 |
Issue |
2 |
Pages |
1400416 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
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Wos |
000349916000001 |
Publication Date |
2015-01-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2196-7350; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.279 |
Times cited |
30 |
Open Access |
|
Notes |
Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO G004413N; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 4.279; 2015 IF: NA |
Call Number |
c:irua:125333 c:irua:125333UA @ admin @ c:irua:125333 |
Serial |
1052 |
Permanent link to this record |
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|
Author |
Radepont, M.; Coquinot, Y.; Janssens, K.; Ezrati, J.-J.; de Nolf, W.; Cotte, M. |
Title |
Thermodynamic and experimental study of the degradation of the red pigment mercury sulfide |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
30 |
Issue |
3 |
Pages |
599-612 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The red pigment mercury sulfide, called cinnabar or vermilion, is well known to suffer from an alteration giving rise to a grey, grey-white or black color at the surface of degraded works of art. This phenomenon can dramatically affect the esthetical value of artworks. This work aims at assessing the factors (light, halides) influencing the instability of red mercury sulfide and understanding (by combining thermodynamic and experimental approaches) the chemical equilibria governing the formation and evolution of the different degradation compounds. From the thermodynamic study of the Hg-S-Cl-H2O system, it was concluded that Hg(0), Hg3S2Cl2, and Hg2Cl2 can be formed from the reaction of alpha-HgS with ClO(g). In the second part, the artificial ageing experiments presented were carried out on model samples following the conditions assessed in the first part, in order to reproduce natural ageing observed on red mercury sulfide. Similarly to degradation compounds detected on original works of art, mercury chlorine compounds such as calomel (Hg2Cl2) and corderoite (alpha-Hg3S2Cl2) were identified on the surface of alpha-HgS model samples, when exposed to light and a sodium hypochlorite solution. Sulfates were detected as well, and more particularly gypsum (CaSO4 center dot 2H(2)O) when Ca was originally present in the model sample. The relationship between color and composition is discussed as well. |
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 |
000350650800005 |
Publication Date |
2015-01-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.379 |
Times cited |
26 |
Open Access |
|
Notes |
; The authors gratefully acknowledge the ESRF for granting beamtime under proposal no. EC720. Michel Dubus is thanked for providing precious advices concerning ageing protocols. This research was supported by Belgian Science Policy project S2-ART (BELSPO S4DA), the GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0C12.13, G.0704.08 and G.01769.09. ; |
Approved |
Most recent IF: 3.379; 2015 IF: 3.466 |
Call Number |
UA @ admin @ c:irua:125474 |
Serial |
5877 |
Permanent link to this record |
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Author |
Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M. |
Title |
Effect of pinning on the response of superconducting strips to an external pulsed current |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
Volume |
28 |
Issue |
28 |
Pages |
025004 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000351046300010 |
Publication Date |
2014-12-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.878 |
Times cited |
19 |
Open Access |
|
Notes |
; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
Call Number |
c:irua:125491 |
Serial |
829 |
Permanent link to this record |
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Author |
Venturi, F.; Calizzi, M.; Bals, S.; Perkisas, T.; Pasquini, L. |
Title |
Self-assembly of gas-phase synthesized magnesium nanoparticles on room temperature substrates |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Materials research express |
Abbreviated Journal |
Mater Res Express |
Volume |
2 |
Issue |
2 |
Pages |
015007 |
Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT) |
Abstract |
Magnesium nanoparticles (NPs) with initial size in the 10-50 nmrange were synthesized by inert gas condensation under helium flow and deposited on room temperature substrates. The morphology and crystal structure of the NPs ensemble were investigated as a function of the deposition time by complementary electron microscopy techniques, including high resolution imaging and chemical mapping. With increasing amount of material, strong coarsening phenomena were observed at room temperature: small NPs disappeared while large faceted NPs developed, leading to a 5-fold increase of the average NPs size within a few minutes. The extent of coarsening and the final morphology depended also on the nature of the substrate. Furthermore, large single-crystal NPs were seen to arise from the self-organization of primary NPs units, providing a mechanism for crystal growth. The dynamics of the self-assembly process involves the basic steps of NPs sticking, diffusion on substrate, coordinated rotation and attachment/coalescence. Key features are the surface energy anisotropy, reflected by the faceted shape of the NPs, and the low melting point of the material. The observed phenomena have strong implications in relation to the synthesis and stability of nanostructures based on Mg or other elements with similar features. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000369978500007 |
Publication Date |
2014-12-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1591 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.068 |
Times cited |
14 |
Open Access |
Not_Open_Access |
Notes |
; Financial support by COST Action MP1103 'Nanostructured Materials for Solid-State Hydrogen Storage' is gratefully acknowledged. ; |
Approved |
Most recent IF: 1.068; 2015 IF: NA |
Call Number |
UA @ lucian @ c:irua:132275 |
Serial |
4240 |
Permanent link to this record |
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|
Author |
Vandersteen, G.; Schneidewind, U.; Anibas, C.; Schmidt, C.; Seuntjens, P.; Batelaan, O. |
Title |
Determining groundwater-surface water exchange from temperature-time series : combining a local polynomial method with a maximum likelihood estimator |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Water resources research |
Abbreviated Journal |
|
Volume |
51 |
Issue |
2 |
Pages |
922-939 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The use of temperature-time series measured in streambed sediments as input to coupled water flow and heat transport models has become standard when quantifying vertical groundwater-surface water exchange fluxes. We develop a novel methodology, called LPML, to estimate the parameters for 1-D water flow and heat transport by combining a local polynomial (LP) signal processing technique with a maximum likelihood (ML) estimator. The LP method is used to estimate the frequency response functions (FRFs) and their uncertainties between the streambed top and several locations within the streambed from measured temperature-time series data. Additionally, we obtain the analytical expression of the FRFs assuming a pure sinusoidal input. The estimated and analytical FRFs are used in an ML estimator to deduce vertical groundwater-surface water exchange flux and its uncertainty as well as information regarding model quality. The LPML method is tested and verified with the heat transport models STRIVE and VFLUX. We demonstrate that the LPML method can correctly reproduce a priori known fluxes and thermal conductivities and also show that the LPML method can estimate averaged and time-variable fluxes from periodic and nonperiodic temperature records. The LPML method allows for a fast computation of exchange fluxes as well as model and parameter uncertainties from many temperature sensors. Moreover, it can utilize a broad frequency spectrum beyond the diel signal commonly used for flux calculations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000351401200009 |
Publication Date |
2014-12-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0043-1397; 0043-137x |
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:125492 |
Serial |
7797 |
Permanent link to this record |
|
|
|
Author |
Struzzi, C.; Erbahar, D.; Scardamaglia, M.; Amati, M.; Gregoratti, L.; Lagos; Van Tendeloo, G.; Snyders, R.; Ewels, C.; Bittencourt, C. |
Title |
Selective decoration of isolated carbon nanotubes by potassium evaporation : scanning photoemission microscopy and density functional theory |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume |
3 |
Issue |
3 |
Pages |
2518-2527 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Site selective doping of aligned carbon nanostructures represents a promising approach for their implementation in actual devices. In the present work we report on alkali metals decoration on low density vertically aligned carbon nanotubes, disclosing the possibility of engineering site selective depositions of potassium atoms on the carbon systems. Photoemission measurements were combined with microscopy demonstrating the effective spatial control of alkali deposition. The changes of electronic structures of locally doped carbon regions were studied by exploiting the ability of the scanning photoemission microscopy technique. From the analysis of experimental data supported by theoretical calculations, we show the tuning of the charge transfer from potassium to carbon atoms belonging to neighboring nanotubes or along the same tube structure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000350984200011 |
Publication Date |
2014-12-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7526;2050-7534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.256; 2015 IF: 4.696 |
Call Number |
c:irua:125496 |
Serial |
2963 |
Permanent link to this record |
|
|
|
Author |
Galvan Moya, J.E.; Nelissen, K.; Peeters, F.M. |
Title |
Structural ordering of self-assembled clusters with competing interactions : transition from faceted to spherical clusters |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
Volume |
31 |
Issue |
31 |
Pages |
917-924 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000348689700005 |
Publication Date |
2014-12-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.833 |
Times cited |
4 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.833; 2015 IF: 4.457 |
Call Number |
c:irua:125292 |
Serial |
3243 |
Permanent link to this record |
|
|
|
Author |
Angelakeris, M.; Li, Z.A.; Hilgendorff, M.; Simeonidis, K.; Sakellari, D.; Filippousi, M.; Tian, H.; Van Tendeloo, G.; Spasova, M.; Acet, M.; Farle, M. |
Title |
Enhanced biomedical heat-triggered carriers via nanomagnetism tuning in ferrite-based nanoparticles |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
Volume |
381 |
Issue |
381 |
Pages |
179-187 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Biomedical nanomagnetic carriers are getting a higher impact in therapy and diagnosis schemes while their constraints and prerequisites are more and more successfully confronted. Such particles should possess a well-defined size with minimum agglomeration and they should be synthesized in a facile and reproducible high-yield way together with a controllable response to an applied static or dynamic field tailored for the specific application. Here, we attempt to enhance the heating efficiency in magnetic particle hyperthermia treatment through the proper adjustment of the core-shell morphology in ferrite particles, by controlling exchange and dipolar magnetic interactions at the nanoscale. Thus, core-shell nanoparticles with mutual coupling of magnetically hard (CoFe2O4) and soft (MnFe2O4) components are synthesized with facile synthetic controls resulting in uniform size and shell thickness as evidenced by high resolution transmission electron microscopy imaging, excellent crystallinity and size monodispersity. Such a magnetic coupling enables the fine tuning of magnetic anisotropy and magnetic interactions without sparing the good structural, chemical and colloidal stability. Consequently, the magnetic heating efficiency of CoFe2O4. and MnFe2O4 core-shell nanoparticles is distinctively different horn that of their counterparts, even though all these nanocrystals were synthesized under similar conditions. For better understanding of the AC magnetic hyperthermia response and its correlation with magnetic-origin features we study the effect of the volume ratio of magnetic hard and soft phases in the bimagnetic core-shell nanocrystals. Eventually, such particles may be considered as novel heating carriers that under further biomedical functionalization may become adaptable multifunctional heat-triggered nanoplatforms. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000349361100027 |
Publication Date |
2014-12-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.63 |
Times cited |
20 |
Open Access |
|
Notes |
312483 Esteem2; Esteem2_ta |
Approved |
Most recent IF: 2.63; 2015 IF: 1.970 |
Call Number |
c:irua:125284 c:irua:125284 |
Serial |
1049 |
Permanent link to this record |
|
|
|
Author |
van der Stam, W.; Berends, A.C.; Rabouw, F.T.; Willhammar, T.; Ke, X.; Meeldijk, J.D.; Bals, S.; de Donega, C.M. |
Title |
Luminescent CuInS2 quantum dots by partial cation exchange in Cu2-xS nanocrystals |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
621-628 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Here, we show successful partial cation exchange reactions in Cu2-xS nanocrystals (NCs) yielding luminescent CuInS2 (CIS) NCs. Our approach of mild reaction conditions ensures slow Cu extraction rates, which results in a balance with the slow In incorporation rate. With this method, we obtain CIS NCs with photoluminescence (PL) far in the near-infrared (NIR), which cannot be directly synthesized by currently available synthesis protocols. We discuss the factors that favor partial, self-limited cation exchange from Cu2-xS to CIS NCs, rather than complete cation exchange to In2S3. The product CIS NCs have the wurtzite crystal structure, which is understood in terms of conservation of the hexagonal close packing of the anionic sublattice of the parent NCs into the product NCs. These results are an important step toward the design of CIS NCs with sizes and shapes that are not attainable by direct synthesis protocols and may thus impact a number of potential applications. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000348618400028 |
Publication Date |
2014-12-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
119 |
Open Access |
OpenAccess |
Notes |
335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:125291 |
Serial |
1858 |
Permanent link to this record |
|
|
|
Author |
Kolev, S.; Bogaerts, A. |
Title |
A 2D model for a gliding arc discharge |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
24 |
Issue |
24 |
Pages |
015025 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000348298200026 |
Publication Date |
2014-12-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.302 |
Times cited |
34 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
Call Number |
c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538 |
Serial |
3 |
Permanent link to this record |
|
|
|
Author |
Kozák, T.; Bogaerts, A. |
Title |
Evaluation of the energy efficiency of CO2 conversion in microwave discharges using a reaction kinetics model |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
24 |
Issue |
24 |
Pages |
015024 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000348298200025 |
Publication Date |
2014-12-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.302 |
Times cited |
100 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
Call Number |
c:irua:122243 |
Serial |
1087 |
Permanent link to this record |
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|
|
Author |
Bertrand, L.; Schoeeder, S.; Anglos, D.; Breese, M.B.H.; Janssens, K.; Moini, M.; Simon, A. |
Title |
Mitigation strategies for radiation damage in the analysis of ancient materials |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Trends in analytical chemistry |
Abbreviated Journal |
Trac-Trend Anal Chem |
Volume |
66 |
Issue |
|
Pages |
128-145 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The study of materials in cultural heritage artifacts and micro-samples benefits from diagnostic techniques based on intense radiation sources, such as synchrotrons, ion-beam accelerators and lasers. While most of the corresponding techniques are classified as non-destructive, investigation with photons or charged particles entails a number of fundamental processes that may induce changes in materials. These changes depend on irradiation parameters, properties of materials and environmental factors. In some cases, radiation-induced damage may be detected by visual inspection. When it is not, irradiation may still lead to atomic and molecular changes resulting in immediate or delayed alteration and bias of future analyses. Here we review the effects of radiation reported on a variety of cultural heritage materials and describe the usual practice for assessing short-term and long-term effects. This review aims to raise awareness and encourage subsequent research activities to limit radiation side effects. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000352248200020 |
Publication Date |
2014-12-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0165-9936 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.442 |
Times cited |
35 |
Open Access |
|
Notes |
; We wish to acknowledge the support of this initiative by the International Atomic Energy Agency. We gratefully thank Professor Manfred Schreiner of the Institute of Natural Sciences and Technology in the Arts (Akademie den bildenden Kunst, Vienna, Austria) for helpful discussions and insights on this work. We thank all colleagues who accepted to have their work reproduced in this review. IPANEMA at Synchrotron SOLEIL, the Hungarian Academy of Science and IESL-FORTH were supported within the Research Infrastructure program CHARISMA of the 7th Framework Programme of the EU (Grant Agreement no. 228330). MM's contribution is based upon work supported by the National Science Foundation under Grant numbers CHE 1241672 and CHE 1440849. We thank Chris McGlinchey and Lauren Klein (Museum of Modern Art, New York, USA) for their critical rereading of the manuscript. ; |
Approved |
Most recent IF: 8.442; 2015 IF: 6.472 |
Call Number |
UA @ admin @ c:irua:124627 |
Serial |
5729 |
Permanent link to this record |
|
|
|
Author |
Van Grieken, R. |
Title |
Introducing four new members of the editorial board of X-ray spectrometry |
Type |
Editorial |
Year |
2015 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
Volume |
44 |
Issue |
1 |
Pages |
1-2 |
Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000346727300001 |
Publication Date |
2014-12-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:123608 |
Serial |
8119 |
Permanent link to this record |
|
|
|
Author |
Brammertz, G.; Oueslati, S.; Buffiere, M.; Bekaert, J.; El Anzeery, H.; Messaoud, K.B.; Sahayaraj, S.; Nuytten, T.; Koble, C.; Meuris, M.; Poortmans, J.; |
Title |
Investigation of properties limiting efficiency in Cu2ZnSnSe4-based solar cells |
Type |
A1 Journal article |
Year |
2015 |
Publication |
IEEE journal of photovoltaics |
Abbreviated Journal |
Ieee J Photovolt |
Volume |
5 |
Issue |
5 |
Pages |
649-655 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We have investigated different nonidealities in Cu2ZnSnSe4CdSZnO solar cells with 9.7% conversion efficiency, in order to determine what is limiting the efficiency of these devices. Several nonidealities could be observed. A barrier of about 300 meV is present for electron flow at the absorberbuffer heterojunction leading to a strong crossover behavior between dark and illuminated currentvoltage curves. In addition, a barrier of about 130 meV is present at the Moabsorber contact, which could be reduced to 15 meV by inclusion of a TiN interlayer. Admittance spectroscopy results on the devices with the TiN backside contact show a defect level with an activation energy of 170 meV. Using all parameters extracted by the different characterization methods for simulations of the two-diode model including injection and recombination currents, we come to the conclusion that our devices are limited by the large recombination current in the depletion region. Potential fluctuations are present in the devices as well, but they do not seem to have a special degrading effect on the devices, besides a probable reduction in minority carrier lifetime through enhanced recombination through the band tail defects. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000353524800026 |
Publication Date |
2014-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2156-3381;2156-3403; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.712 |
Times cited |
13 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.712; 2015 IF: 3.165 |
Call Number |
c:irua:123717 |
Serial |
1734 |
Permanent link to this record |
|
|
|
Author |
Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C. |
Title |
How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Biointerphases |
Abbreviated Journal |
Biointerphases |
Volume |
10 |
Issue |
10 |
Pages |
029501 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The application of nonthermal atmospheric pressure plasma is emerging as an alternative and efficient technique for the inactivation of bacterial biofilms. In this study, reactive molecular dynamics simulations were used to examine the reaction mechanisms of hydroxyl radicals, as key reactive oxygen plasma species in biological systems, with several organic molecules (i.e., alkane, alcohol, carboxylic acid, and amine), as prototypical components of biomolecules in the biofilm. Our results demonstrate that organic molecules containing hydroxyl and carboxyl groups may act as trapping agents for the OH radicals. Moreover, the impact of OH radicals on N-acetyl-glucosamine, as constituent component of staphylococcus epidermidis biofilms, was investigated. The results show how impacts of OH radicals lead to hydrogen abstraction and subsequent molecular damage. This study thus provides new data on the reaction mechanisms of plasma species, and particularly the OH radicals, with fundamental components of bacterial biofilms. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000357195600019 |
Publication Date |
2014-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1934-8630;1559-4106; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.603 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.603; 2015 IF: 3.374 |
Call Number |
c:irua:121371 |
Serial |
1492 |
Permanent link to this record |
|
|
|
Author |
Pinheiro, C.B.; Abakumov, A.M. |
Title |
Superspace crystallography : a key to the chemistry and properties |
Type |
A1 Journal article |
Year |
2015 |
Publication |
IUCrJ |
Abbreviated Journal |
Iucrj |
Volume |
2 |
Issue |
2 |
Pages |
137-154 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
An overview is given of the recent advances in the field of modulated molecular and inorganic crystals with an emphasis on the links between incommensurability, intermolecular and interatomic interactions and, wherever possible, the properties of the materials. The importance of detailed knowledge on the modulated structure for understanding the crystal chemistry and the functional properties of modulated phases is shown using selected examples of incommensurate modulations in organic molecular compounds and inorganic complex oxides. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Int union crystallography |
Place of Publication |
Chester |
Editor |
|
Language |
|
Wos |
000356865900016 |
Publication Date |
2014-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2052-2525; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.793 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.793; 2015 IF: NA |
Call Number |
c:irua:127058 |
Serial |
3382 |
Permanent link to this record |
|
|
|
Author |
Monico, L.; Janssens, K.; Alfeld, M.; Cotte, M.; Vanmeert, F.; Ryan, C.G.; Falkenberg, G.; Howard, D.L.; Brunetti, B.G.; Miliani, C. |
Title |
Full spectral XANES imaging using the Maia detector array as a new tool for the study of the alteration process of chrome yellow pigments in paintings by Vincent van Gogh |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
30 |
Issue |
3 |
Pages |
613-626 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A combination of synchrotron radiation (SR) micro X-ray fluorescence (m-XRF) and XRF mode X-ray absorption near edge structure (XANES) measurements at the Cr K-edge already allowed us to establish that the photo-reduction of chromates to Cr(III) compounds is the cause of darkening of chrome yellow pigments (PbCr1-xSxO4, 0 <= x <= 0.8) in a number of paintings by Vincent van Gogh and in corresponding artificially aged paint models. A silicon drift detector (SDD) was employed to record the Cr-K XRF radiation in these X-ray micro beam-based measurements. However, in view of the limited count rate capabilities and collection solid angle of a single device, m-XRF and m-XANES employing single element SDDs (or similar) are primarily suited for collection of spectral data from individual points. Additionally, collection of XRF maps via point-by-point scanning with relatively long dwell times per point is possible but is usually confined to small areas. The development of the 384 silicon-diode array Maia XRF detector has provided valuable solutions in terms of data acquisition rate, allowing for full spectral (FS) XANES imaging in XRF mode, i.e., where spectroscopic information is available at each pixel in the scanned map. In this paper, the possibilities of SR Cr K-edge FS-XANES imaging in XRF mode using the Maia detector are examined as a new data collection strategy to study the speciation and distribution of alteration products of lead chromate-based pigments in painting materials. The results collected from two micro-samples taken from two Van Gogh paintings and an aged paint model show the possibility to perform FS-XANES imaging in practical time frames (from several minutes to a few hours) by scanning regions of sample sizes of the same order (more than 500 mm). The sensitivity and capabilities of FS-XANES imaging in providing representative chemical speciation information at the microscale (spatial resolution from similar to 2 to 0.6 mm) over the entire scanned area are demonstrated by the identification of Cr(OH) 3, Cr(III) sulfates and/or Cr(III) organometallic compounds in the corresponding phase maps, as alteration products. Comparable Cr-speciation results were obtained by performing equivalent higher spatial resolution SR m-XRF/single-point m-XANES analysis using a more conventional SDD from smaller regions of interest of each sample. Thus, large-area XRF mode FS-XANES imaging (Maia detector) is here proposed as a valuable and complementary data collection strategy in relation to “ zoomed-in” high-resolution m-XRF mapping and single-point m-XANES analysis (SDD). |
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 |
|
Language |
|
Wos |
000350650800006 |
Publication Date |
2014-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.379 |
Times cited |
28 |
Open Access |
|
Notes |
; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA), GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) project no. G.0C12.13, 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. For the grants received thanks are expressed to ESRF (experiments EC-799, EC-1051) and DESY (experiment H-20000043). Part of this research was undertaken at the XFM beamline at the Australian Synchrotron, Victoria, Australia (experiment M4604). LM acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam), Muriel Geldof (Cultural Heritage Agency of The Netherlands) and Margje Leeuwestein (Kroller-Muller Museum, Otterlo) for selecting and sharing the information on the cross-section taken from the paintings The Bedroom and Falling Leaves (Les Alyscamps). All the staff of the Van Gogh Museum and the Kroller-Muller Museum are acknowledged for their agreeable cooperation. ; |
Approved |
Most recent IF: 3.379; 2015 IF: 3.466 |
Call Number |
UA @ admin @ c:irua:125475 |
Serial |
5628 |
Permanent link to this record |
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|
|
Author |
Daems, D.; van Nuijs, A.L.N.; Covaci, A.; Hamidi-Asl, E.; Van Camp, G.; Nagels, L.J. |
Title |
Potentiometric detection in UPLC as an easy alternative to determine cocaine in biological samples |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Biomedical chromatography |
Abbreviated Journal |
|
Volume |
29 |
Issue |
7 |
Pages |
1124-1129 |
Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
Abstract |
The analytical methods which are often used for the determination of cocaine in complex biological matrices are a prescreening immunoassay and confirmation by chromatography combined with mass spectrometry. We suggest an ultra-high-pressure liquid chromatography combined with a potentiometric detector, as a fast and practical method to detect and quantify cocaine in biological samples. An adsorption/desorption model was used to investigate the usefulness of the potentiometric detector to determine cocaine in complex matrices. Detection limits of 6.3ngmL(-1) were obtained in plasma and urine, which is below the maximum residue limit (MRL) of 25ngmL(-1). A set of seven plasma samples and 10 urine samples were classified identically by both methods as exceeding the MRL or being inferior to it. The results obtained with the UPLC/potentiometric detection method were compared with the results obtained with the UPLC/MS method for samples spiked with varying cocaine concentrations. The intraclass correlation coefficient was 0.997 for serum (n =7) and 0.977 for urine (n =8). As liquid chromatography is an established technique, and as potentiometry is very simple and cost-effective in terms of equipment, we believe that this method is potentially easy, inexpensive, fast and reliable. 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 |
000356694000020 |
Publication Date |
2014-12-16 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0269-3879 |
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:127069 |
Serial |
8396 |
Permanent link to this record |
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|
|
Author |
Croitoru, M.D.; Buzdin, A.I. |
Title |
FFLO-wave-vector lock-in effect in quasi-1D superconductors |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of superconductivity and novel magnetism |
Abbreviated Journal |
J Supercond Nov Magn |
Volume |
28 |
Issue |
28 |
Pages |
1305-1308 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the phase transition into the Fulde-Ferrell-Larkin-Ovchinnikov state in high magnetic field in quasi-one dimensional superconductors within the quasi-classical formalism, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that anomalies in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period, previously described in [29], are characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000352085700019 |
Publication Date |
2014-12-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1557-1939;1557-1947; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.18 |
Times cited |
4 |
Open Access |
|
Notes |
; We thank D. Jerome for useful discussions. We acknowledge the support by the French ANR program “ElectroVortex” and European NanoSC COST Action MP1201. M.D.C. acknowledges the support by the BELSPO Return to Belgium Grant. ; |
Approved |
Most recent IF: 1.18; 2015 IF: 0.909 |
Call Number |
c:irua:125540 |
Serial |
1187 |
Permanent link to this record |
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Author |
Guerrero, A.; Heidari, H.; Ripolles, T.S.; Kovalenko, A.; Pfannmöller, M.; Bals, S.; Kauffmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G. |
Title |
Shelf life degradation of bulk heterojunction solar cells : intrinsic evolution of charge transfer complex |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Laser physics review |
Abbreviated Journal |
Adv Energy Mater |
Volume |
5 |
Issue |
5 |
Pages |
1401997 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Achievement of long-term stability of organic photovoltaics is currently one of the major topics for this technology to reach maturity. Most of the techniques used to reveal degradation pathways are destructive and/or do not allow for real-time measurements in operating devices. Here, three different, nondestructive techniques able to provide real-time information, namely, film absorbance, capacitance-voltage (C-V), and impedance spectroscopy (IS), are combined over a period of 1 year using non-accelerated intrinsic degradation conditions. It is discerned between chemical modifications in the active layer, physical processes taking place in the bulk of the blend from those at the active layer/contact interfaces. In particular, it is observed that during the ageing experiment, the main source for device performance degradation is the formation of donor-acceptor charge-transfer complex (P3HT(center dot+)-PCBM center dot-) that acts as an exciton quencher. Generation of these radical species diminishes photocurrent and reduces open-circuit voltage by the creation of electronic defect states. Conclusions extracted from absorption, C-V, and IS measurements will be further supported by a range of other techniques such as atomic force microscopy, X-ray diffraction, and dark-field imaging of scanning transmission electron microscopy on ultrathin cross-sections. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000352708600013 |
Publication Date |
2014-12-12 |
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 |
1614-6832; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
16.721 |
Times cited |
30 |
Open Access |
OpenAccess |
Notes |
287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 16.721; 2015 IF: 16.146 |
Call Number |
c:irua:126000 |
Serial |
2994 |
Permanent link to this record |
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Author |
Lin, F.; Meng; Kukueva, E.; Mertens, M.; Van Doorslaer, S.; Bals, S.; Cool, P. |
Title |
New insights into the mesophase transformation of ethane-bridged PMOs by the influence of different counterions under basic conditions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
Volume |
5 |
Issue |
5 |
Pages |
5553-5562 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
The counterions are of crucial importance in determining the mesostructure and morphology of ethanebridged PMO materials synthesized under basic conditions. By using CTABr as the surfactant, the final PMO materials show a 2-D hexagonal (p6mm) mesophase, while PMO materials with cubic (Pm (3) over barn ) mesostructure are obtained when CTACl or CTA(SO4)(1)/(2) are used. With gradually replacing CTABr by CTACl or CTA(SO4) (1)/(2) while keeping the total surfactant concentration constant, a clear p6mm to Pm (3) over barn 3n mesophase evolution process is observed. For a given gel composition, the mesophase of ethanebridged PMO materials can also be adjusted by the addition of different sodium salts. In short, the effect of the counterions on the mesophase can be attributed to the binding strength of the ions on the surfactant micelles, which follows the Hofmeister series (SO42- < Cl- < Br-< NO3- < SCN-). Furthermore, it is found that the hydrolysis and condensation rate of the organosilica precursor also plays an important role in the formation of the final mesostructure |
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 |
000347304900010 |
Publication Date |
2014-12-11 |
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 |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.108 |
Times cited |
6 |
Open Access |
Not_Open_Access |
Notes |
; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F. L. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structureactivity relation in nanoporous materials', funded by the University of Antwerp. ; |
Approved |
Most recent IF: 3.108; 2015 IF: 3.840 |
Call Number |
c:irua:123768 |
Serial |
2317 |
Permanent link to this record |
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Author |
Gul, B.; Tinck, S.; De Schepper, P.; Aman-ur-Rehman; Bogaerts, A. |
Title |
Numerical investigation of HBr/He transformer coupled plasmas used for silicon etching |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
48 |
Issue |
48 |
Pages |
025202 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional hybrid Monte Carlofluid model is applied to study HBr/He inductively coupled plasmas used for etching of Si. Complete sets of gas-phase and surface reactions are presented and the effects of the gas mixing ratio on the plasma characteristics and on the etch rates are discussed. A comparison with experimentally measured etch rates is made to validate the modelling results. The etch rate in the HBr plasma is found to be quite low under the investigated conditions compared to typical etch rates of Si with F- or Cl-containing gases. This allows for a higher control and fine-tuning of the etch rate when creating ultra-small features. Our calculations predict a higher electron temperature at higher He fraction, because the electrons do not lose their energy so efficiently in vibrational and rotational excitations. As a consequence, electron impact ionization and dissociation become more important, yielding higher densities of ions, electrons and H atoms. This results in more pronounced sputtering of the surface. Nevertheless, the overall etch rate decreases upon increasing He fraction, suggesting that chemical etching is still the determining factor for the overall etch rate. |
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 |
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Language |
|
Wos |
000347980100011 |
Publication Date |
2014-12-10 |
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 |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2015 IF: 2.721 |
Call Number |
c:irua:121335 |
Serial |
2394 |
Permanent link to this record |