Records |
Author |
Fei, G.; Xue-Chun, L.; Zhao, S.-X.; You-Nian, W. |
Title |
Spatial variation behaviors of argon inductively coupled plasma during discharge mode transition |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Chinese physics B |
Abbreviated Journal |
Chinese Phys B |
Volume |
21 |
Issue |
7 |
Pages |
075203 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A Langmuir probe and an ICCD are employed to study the discharge mode transition in Ar inductively coupled plasma. Electron density and plasma emission intensity are measured during the E (capacitive discharge) to H (inductive discharge) mode transitions at different pressures. It is found that plasma exists with a low electron density and a weak emission intensity in the E mode, while it has a high electron density and a strong emission intensity in the H mode. Meanwhile, the plasma emission intensity spatial (2D image) profile is symmetrical in the H mode, but the 2D image is an asymmetric profile in the E mode. Moreover, the electron density and emission intensity jump up discontinuously at high pressure, but increase almost continuously at the E to H mode transition under low pressure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
IOP publishing |
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000306558300058 |
Publication Date |
2012-07-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1674-1056; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.223 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.223; 2012 IF: 1.148 |
Call Number |
UA @ lucian @ c:irua:100843 |
Serial |
3065 |
Permanent link to this record |
|
|
|
Author |
Teodoru, S.; Kusano, Y.; Bogaerts, A. |
Title |
The effect of O2 in a humid O2/N2/NOx gas mixture on NOx and N2O remediation by an atmospheric pressure dielectric barrier discharge |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
9 |
Issue |
7 |
Pages |
652-689 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A numerical model for NxOy remediation in humid air plasma produced with a dielectric barrier discharge at atmospheric pressure is presented. Special emphasis is given to NO2 and N2O reduction with the decrease of O2 content in the feedstock gas. A detailed reaction mechanism including electronic and ionic processes, as well as the contribution of radicals and excited atomic/molecular species is proposed. The temporal evolution of the densities of NO, NO2 and N2O species, and some other by-products, is analyzed, and the major pathways for the NxOy remediation are discussed for one pulse. Subsequently, simulations are presented for a multi-pulses case, where three O2 contents are tested for optimization of the remediation process. It is found that when the gas mixture O2/N2/H2O/NOx has no initial O2 content, the best NOx and N2O remediation is achieved. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000306279500005 |
Publication Date |
2012-03-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2012 IF: 3.730 |
Call Number |
UA @ lucian @ c:irua:100920 |
Serial |
842 |
Permanent link to this record |
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|
|
Author |
Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
9 |
Pages |
093043 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000309393400001 |
Publication Date |
2012-09-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:101014 |
Serial |
189 |
Permanent link to this record |
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|
|
Author |
Wang, B.; Idrissi, H.; Galceran, M.; Colla, M.S.; Turner, S.; Hui, S.; Raskin, J.P.; Pardoen, T.; Godet, S.; Schryvers, D. |
Title |
Advanced TEM investigation of the plasticity mechanisms in nanocrystalline freestanding palladium films with nanoscale twins |
Type |
A1 Journal article |
Year |
2012 |
Publication |
International journal of plasticity |
Abbreviated Journal |
Int J Plasticity |
Volume |
37 |
Issue |
|
Pages |
140-156 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Nanocrystalline palladium thin films deposited by electron-beam evaporation and deformed by on-chip tensile testing reveal a surprisingly large strain hardening capacity when considering the small similar to 25 nm grain size. The as-grown films contain several coherent single and multifold twin boundaries. The coherency of the twin boundaries considerably decreases with deformation due to dislocation/twin boundary interactions. These reactions are described based on a detailed analysis of the number and the type of dislocations located at the twin boundaries using high-resolution TEM, including aberration corrected microscopy. Sessile Frank dislocations were observed at the twin/matrix interfaces, explaining the loss of the TB coherency due to the Burgers vector pointing out of the twinning plane. Grain boundary mediated processes were excluded as a mechanism dominating the plastic deformation based on the investigation of the grain size distribution as well as the crystallographic texture using Automated Crystallographic Orientation Indexation TEM. Other factors influencing the plastic deformation such as impurities and the presence of a native passivation oxide layer at the surface of the films were investigated using analytical TEM. The twin boundaries observed in the present work partly explain the high strain hardening capacity by providing both increasing resistance to dislocation motion with deformation and a source for dislocation multiplication. (C) 2012 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000307416100009 |
Publication Date |
2012-05-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0749-6419; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.702 |
Times cited |
44 |
Open Access |
|
Notes |
Iap; Fwo |
Approved |
Most recent IF: 5.702; 2012 IF: 4.356 |
Call Number |
UA @ lucian @ c:irua:101082 |
Serial |
74 |
Permanent link to this record |
|
|
|
Author |
Zarenia, M.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Substrate-induced chiral states in graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
8 |
Pages |
085451 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Unidirectional chiral states are predicted in single layer graphene which originate from the breaking of the sublattice symmetry due to an asymmetric mass potential. The latter can be created experimentally using boron-nitride (BN) substrates with a line defect (B-B or N-N) that changes the induced mass potential in graphene. Solving the Dirac-Weyl equation, the obtained energy spectrum is compared with the one calculated using ab initio density functional calculations. We found that these one-dimensional chiral states are very robust and they can even exist in the presence of a small gap between the mass regions. In the latter case additional bound states are found that are topologically different from those chiral states. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000308005600015 |
Publication Date |
2012-08-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the European Science Foundation (ESF) under the EUROCORES Program: EuroGRAPHENE (project CONGRAN). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101100 |
Serial |
3347 |
Permanent link to this record |
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|
Author |
Schattschneider, P.; Stoeger-Pollach, M.; Verbeeck, J. |
Title |
Novel vortex generator and mode converter for electron beams |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
109 |
Issue |
8 |
Pages |
084801-1 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A mode converter for electron vortex beams is described. Numerical simulations, confirmed by experiment, show that the converter transforms a vortex beam with a topological charge m = +/- 1 into beams closely resembling Hermite-Gaussian HG(10) and HG(01) modes. The converter can be used as a mode discriminator or filter for electron vortex beams. Combining the converter with a phase plate turns a plane wave into modes with topological charge m = +/- 1. This combination serves as a generator of electron vortex beams of high brilliance. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000307790900004 |
Publication Date |
2012-08-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
74 |
Open Access |
|
Notes |
Countatoms; Vortex ECASJO_; |
Approved |
Most recent IF: 8.462; 2012 IF: 7.943 |
Call Number |
UA @ lucian @ c:irua:101103UA @ admin @ c:irua:101103 |
Serial |
2384 |
Permanent link to this record |
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|
|
Author |
Gengler, R.Y.N.; Toma, L.M.; Pardo, E.; Lloret, F.; Ke, X.; Van Tendeloo, G.; Gournis, D.; Rudolf, P. |
Title |
Prussian blue analogues of reduced dimensionality |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Small |
Abbreviated Journal |
Small |
Volume |
8 |
Issue |
16 |
Pages |
2532-2540 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Mixed-valence polycyanides (Prussian Blue analogues) possess a rich palette of properties spanning from room-temperature ferromagnetism to zero thermal expansion, which can be tuned by chemical modifications or the application of external stimuli (temperature, pressure, light irradiation). While molecule-based materials can combine physical and chemical properties associated with molecular-scale building blocks, their successful integration into real devices depends primarily on higher-order properties such as crystal size, shape, morphology, and organization. Herein a study of a new reduced-dimensionality system based on Prussian Blue analogues (PBAs) is presented. The system is built up by means of a modified Langmuir-Blodgett technique, where the PBA is synthesized from precursors in a self-limited reaction on a clay mineral surface. The focus of this work is understanding the magnetic properties of the PBAs in different periodic, low-dimensional arrangements, and the influence of the “on surface” synthesis on the final properties and dimensionality of the system. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000307390300012 |
Publication Date |
2012-07-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1613-6810; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.643 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.643; 2012 IF: 7.823 |
Call Number |
UA @ lucian @ c:irua:101104 |
Serial |
2736 |
Permanent link to this record |
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|
|
Author |
Quintana, M.; Grzelczak, M.; Spyrou, K.; Calvaresi, M.; Bals, S.; Kooi, B.; Van Tendeloo, G.; Rudolf, P.; Zerbetto, F.; Prato, M. |
Title |
A simple road for the transformation of few-layer graphene into MWNTs |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
Volume |
134 |
Issue |
32 |
Pages |
13310-13315 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report the direct formation of multiwalled carbon nanotubes (MWNT) by ultrasonication of graphite in dimethylformamide (DMF) upon addition of ferrocene aldehyde (Fc-CHO). The tubular structures appear exclusively at the edges of graphene layers and contain Fe clusters. Pc in conjunction with benzyl aldehyde, or other Fc derivatives, does not induce formation of NT. Higher amounts of Fc-CHO added to the dispersion do not increase significantly MWNT formation. Increasing the temperature reduces the amount of formation of MWNTs and shows the key role of ultrasound-induced cavitation energy. It is concluded that Fc-CHO first reduces the concentration of radical reactive species that slice graphene into small moieties, localizes itself at the edges of graphene, templates the rolling up of a sheet to form a nanoscroll, where it remains trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the less stable scroll into a MWNT. This new methodology matches the long held notion that CNTs are rolled up graphene layers. The proposed mechanism is general and will lead to control the production of carbon nanostructures by simple ultrasonication treatments. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000307487200034 |
Publication Date |
2012-05-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.858 |
Times cited |
56 |
Open Access |
|
Notes |
This work was supported by the University of Trieste, the Italian Ministry of Education MIUR (cofin Prot. 20085M27SS), the European Union through the ERC grant No. 246791 – COUNTATOMS, the grant agreement for an Integrated Infrastructure Initiative N. 262348 ESMI, and the “Graphene-based electronics” research program of the Foundation for Fundamental Research on Matter (FOM). |
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
Call Number |
UA @ lucian @ c:irua:101109 |
Serial |
3003 |
Permanent link to this record |
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|
|
Author |
Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G. |
Title |
Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
192 |
Issue |
|
Pages |
186-194 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000307028300030 |
Publication Date |
2012-03-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
Call Number |
UA @ lucian @ c:irua:101119 |
Serial |
3279 |
Permanent link to this record |
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Author |
Mishra, V.K.; Kumar, P.; Van Poppel, M.; Bleux, N.; Frijns, E.; Reggente, M.; Berghmans, P.; Int Panis, L.; Samson, R. |
Title |
Wintertime spatio-temporal variation of ultrafine particles in a Belgian city |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The science of the total environment |
Abbreviated Journal |
|
Volume |
431 |
Issue |
|
Pages |
307-313 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Simultaneous measurements of ultrafine particles (UFPs) were carried out at four sampling locations situated within a 1 km(2) grid area in a Belgian city, Borgerhout (Antwerp). All sampling sites had different orientation and height of buildings and dissimilar levels of anthropogenic activities (mainly traffic volume). The aims were to investigate: (i) the spatio-temporal variation of UFP within the area, (ii) the effect of wind direction with respect to the volume of traffic on UFP levels, and (iii) the spatial representativeness of the official monitoring station situated in the study area. All sampling sites followed similar diurnal patterns of UFP variation, but effects of local traffic emissions were evident. Wind direction also had a profound influence on UFP concentrations at certain sites. The results indicated a clear influence of local weather conditions and the more dominant effect of traffic volumes. Our analysis indicated that the regional air quality monitoring station represented the other sampling sites in the study area reasonably well; temporal patterns were found to be comparable though the absolute average concentrations showed differences of up to 35%. (C) 2012 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 |
|
Editor |
|
Language |
|
Wos |
000306887900037 |
Publication Date |
2012-06-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:101123 |
Serial |
8759 |
Permanent link to this record |
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|
|
Author |
Bertoni, G.; Grillo, V.; Brescia, R.; Ke, X.; Bals, S.; Catellani, A.; Li, H.; Manna, L. |
Title |
Direct determination of polarity, faceting, and core location in colloidal core/shell wurtzite semiconductor nanocrystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
6 |
Issue |
7 |
Pages |
6453-6461 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The ability to determine the atomic arrangement and termination of various facets of surfactant-coated nanocrystals is of great importance for understanding their growth mechanism and their surface properties and represents a critical piece of information that can be coupled to other experimental techniques and to calculations. This is especially appealing in the study of nanocrystals that can be grown in strongly anisotropic shapes, for which the relative growth rates of various facets can be influenced under varying reaction conditions. Here we show that in two representative cases of rod-shaped nanocrystals in the wurtzite phase (CdSe(core)/CdS(shell) and ZnSe(core)/ZnS(shell) nanorods) the terminations of the polar facets can be resolved unambiguously by combining advanced electron microscopy techniques, such as aberration-corrected HRTEM with exit wave reconstruction or aberration-corrected HAADF-STEM. The [0001] and [000-1] polar directions of these rods, which grow preferentially along their c-axis, are revealed clearly, with one side consisting of the Cd (or Zn)-terminated (0001) facet and the other side with a pronounced faceting due to Cd (or Zn)-terminated {10-1-1} facets. The lateral faceting of the rods is instead dominated by three nonpolar {10-10} facets. The core buried in the nanostructure can be localized in both the exit wave phase and HAADF-STEM images. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000306673800079 |
Publication Date |
2012-06-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited |
63 |
Open Access |
|
Notes |
The authors gratefully acknowledge funding from the European Research Council under grant number 240111 (NANO-ARCH) and the financial support from the Flemish Hercules 3 Programme for large infrastructures. G.B. and V.G. thank E. Rotunno for his help with STEM_CELL and IWFR. |
Approved |
Most recent IF: 13.942; 2012 IF: 12.062 |
Call Number |
UA @ lucian @ c:irua:101138 |
Serial |
710 |
Permanent link to this record |
|
|
|
Author |
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. |
Title |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
Volume |
131 |
Issue |
7 |
Pages |
1238 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2). |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000307274300003 |
Publication Date |
2012-07-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1432-881X;1432-2234; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.89 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.89; 2012 IF: 2.233 |
Call Number |
UA @ lucian @ c:irua:101139 |
Serial |
2935 |
Permanent link to this record |
|
|
|
Author |
Zhao, H.J.; Misko, V.R.; Peeters, F.M. |
Title |
Analysis of pattern formation in systems with competing range interactions |
Type |
A1 Journal article |
Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
14 |
Issue |
|
Pages |
063032 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyzed pattern formation and identified various morphologies in a system of particles interacting through a non-monotonic potential with a competing range interaction characterized by a repulsive core (r < r(c)) and an attractive tail (r > r(c)), using molecular-dynamics simulations. Depending on parameters, the interaction potential models the inter-particle interaction in various physical systems ranging from atoms, molecules and colloids to vortices in low kappa type-II superconductors and in recently discovered 'type-1.5' superconductors. We constructed a 'morphology diagram' in the plane 'critical radius r(c)-density n' and proposed a new approach to characterizing the different types of patterns. Namely, we elaborated a set of quantitative criteria in order to identify the different pattern types, using the radial distribution function (RDF), the local density function and the occupation factor. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000306946600003 |
Publication Date |
2012-06-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
45 |
Open Access |
|
Notes |
; We acknowledge useful discussions with Ernst Helmut Brandt, Charles Reichhardt and Cynthia Olson Reichhardt. This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
Call Number |
UA @ lucian @ c:irua:101140 |
Serial |
102 |
Permanent link to this record |
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|
|
Author |
Klingstedt, M.; Sundberg, M.; Eriksson, L.; Haigh, S.; Kirkland, A.; Grüner, D.; de Backer, A.; Van Aert, S.; Tarasaki, O. |
Title |
Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x\sim0.11) |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Zeitschrift für Kristallographie |
Abbreviated Journal |
Z Krist-Cryst Mater |
Volume |
227 |
Issue |
6 |
Pages |
341-349 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new tungsten bronze in the SbWO system has been prepared in a solid state reaction from Sb2O3, WO3 and W metal powder. The average structure was determined by single crystal X-ray diffraction. SbxWO3+y (x ∼ 0.11) crystallizes in the orthorhombic space group Pm21n (no. 31), a = 27.8135(9) Å, b = 7.3659(2) Å and c = 3.8672(1) Å. The structure belongs to the (n)-ITB class of intergrowth tungsten bronzes. It contains slabs of hexagonal channels formed by six WO6 octahedra. These slabs are separated by three layers of WO6 octahedra that are arranged in a WO3-type fashion. The WO6 octahedra share all vertices to build up a three-dimensional framework. The hexagonal channels are filled with Sb atoms to ∼80% and additional O atoms. The atoms are shifted out of the center of the channels. Exit-wave reconstruction of focal series of high resolution-transmission-electron-microscope (HRTEM) images combined with statistical paramäeter estimation techniques allowed to study local ordering in the channels. Sb atoms in neighbouring channels tend to be displaced in the same direction, which is in agreement with total energy calculations on ordered structure models, but the ratio of the occupation of the two possible Sb sites varies from channel to channel. The structure of SbxWO3+y exhibits pronounced local modulations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
München |
Editor |
|
Language |
|
Wos |
000307314200003 |
Publication Date |
2012-06-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2194-4946; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.179 |
Times cited |
4 |
Open Access |
|
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 3.179; 2012 IF: NA |
Call Number |
UA @ lucian @ c:irua:101218 |
Serial |
1131 |
Permanent link to this record |
|
|
|
Author |
Maignan, A.; Martin, C.; Singh, K.; Simon, C.; Lebedev, O.I.; Turner, S. |
Title |
From spin induced ferroelectricity to dipolar glasses : spinel chromites and mixed delafossites |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
195 |
Issue |
|
Pages |
41-49 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Magnetoelectric multiferroics showing coupling between polarization and magnetic order are attracting much attention. For instance, they could be used in memory devices. Metal-transition oxides are provided several examples of inorganic magnetoelectric multiferroics. In the present short review, spinel and delafossite chromites are described. For the former, an electric polarization is evidenced in the ferrimagnetic state for ACr2O4 polycrystalline samples (A=Ni, Fe, Co). The presence of a JahnTeller cation such as Ni2+ at the A site is shown to yield larger polarization values. In the delafossites, substitution by V3+ at the Cr or Fe site in CuCrO2 (CuFeO2) suppresses the complex antiferromagnetic structure at the benefit of a spin glass state. The presence of cation disorder, probed by transmission electron microscopy, favors relaxor-like ferroelectricity. The results on the ferroelectricity of ferrimagnets and insulating spin glasses demonstrate that, in this research field, transition-metal oxides are worth to be studied. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000309783600006 |
Publication Date |
2012-02-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
27 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
Call Number |
UA @ lucian @ c:irua:101219 |
Serial |
1286 |
Permanent link to this record |
|
|
|
Author |
Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Herber, R.H.; Nowik, I.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Greenblatt, M.; |
Title |
High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0) |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
194 |
Issue |
|
Pages |
48-58 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A series of perovskites Sr4−xLaxFe3ReO12 (x=0.0, 1.0, 2.0) has been prepared by wet chemistry methods. The structure analyses by powder X-ray and neutron diffraction and electron microscopy show that these compounds adopt simple perovskite structures without cation ordering over the B sites: tetragonal (I4/mcm) for x=0.0 and 1.0 and orthorhombic (Pbmn) for x=2.0. The oxidation states of the cations in the compound with x=0.0 appear to be Fe3+/4+ and Re7+ and decrease for both with La substitution as evidenced by X-ray absorption spectroscopy. All the compounds are antiferromagnetically ordered above room temperature, as demonstrated by Mössbauer spectroscopy and the magnetic structures, which were determined by powder neutron diffraction. The substitution of Sr by La strongly affects the magnetic properties with an increase of TN up to ∼750 K. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000308896400009 |
Publication Date |
2012-07-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
Call Number |
UA @ lucian @ c:irua:101220 |
Serial |
1435 |
Permanent link to this record |
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|
|
Author |
Tirry, W.; Bouvier, S.; Benmhenni, N.; Hammami, W.; Habraken, A.M.; Coghe, F.; Schryvers, D.; Rabet, L. |
Title |
Twinning in pure Ti subjected to monotonic simple shear deformation |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
Volume |
72 |
Issue |
|
Pages |
24-36 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The aim of this paper is to provide a thorough study on the occurrence and importance of deformation twinning in simple shear deformed pure α-Ti. A statistically relevant inspection of the morphology of the deformation twins in relation to the applied strain/deformation is performed. The investigated microstructural aspects are the twin volume fraction, the twin thickness distribution and the resolved shear stress distribution on the twin plane. All these aspects are examined as a function of the twin types and two initial textures. Monotonic simple shear experiments are carried out for three different loading directions with respect to a direction linked to the initial crystallographic texture. EBSD and TEM observations reveal the presence of View the MathML source and View the MathML source twins. The statistical analysis reveals that View the MathML source and View the MathML source twins have a similar average thickness around 1.9 nm, but the View the MathML source twins show a far larger spread on their thickness and can grow to almost the size of the original parent grain. Correlation of the twin fractions with the RSS analysis shows that RSS is an acceptable method explaining the difference in twin fractions for different textures and orientations. A detailed analysis shows that View the MathML source twins occur in average with a smaller volume fraction but with a higher RSS, indicating they are more difficult to nucleate or grow compared to View the MathML source twinning. In general a higher RSS value on the twin plane is not connected to a higher twin thickness; only in the case of View the MathML source twins the highest RSS values show clearly thicker twins. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000309086700004 |
Publication Date |
2012-07-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1044-5803; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.714 |
Times cited |
25 |
Open Access |
|
Notes |
Iap |
Approved |
Most recent IF: 2.714; 2012 IF: 1.880 |
Call Number |
UA @ lucian @ c:irua:101225 |
Serial |
3768 |
Permanent link to this record |
|
|
|
Author |
Turner, S.; Lu, Y.-G.; Janssens, S.D.; da Pieve, F.; Lamoen, D.; Verbeeck, J.; Haenen, K.; Wagner, P.; Van Tendeloo, G. |
Title |
Local boron environment in B-doped nanocrystalline diamond films |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
4 |
Issue |
19 |
Pages |
5960-5964 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Thin films of heavily B-doped nanocrystalline diamond (B:NCD) have been investigated by a combination of high resolution annular dark field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy performed on a state-of-the-art aberration corrected instrument to determine the B concentration, distribution and the local B environment. Concentrations of [similar]1 to 3 at.% of boron are found to be embedded within individual grains. Even though most NCD grains are surrounded by a thin amorphous shell, elemental mapping of the B and C signal shows no preferential embedding of B in these amorphous shells or in grain boundaries between the NCD grains, in contrast with earlier work on more macroscopic superconducting polycrystalline B-doped diamond films. Detailed inspection of the fine structure of the boron K-edge and comparison with density functional theory calculated fine structure energy-loss near-edge structure signatures confirms that the B atoms present in the diamond grains are substitutional atoms embedded tetrahedrally into the diamond lattice. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000308705900026 |
Publication Date |
2012-08-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
39 |
Open Access |
|
Notes |
FWO G056810N; GOA XANES meets ELNES; 246791 COUNTATOMS; Hercules; 262348 ESMI; Methusalem Nano |
Approved |
Most recent IF: 7.367; 2012 IF: 6.233 |
Call Number |
UA @ lucian @ c:irua:101227UA @ admin @ c:irua:101227 |
Serial |
1825 |
Permanent link to this record |
|
|
|
Author |
Anaf, W.; Horemans, B.; Van Grieken, R.; De Wael, K. |
Title |
Chemical boundary conditions for the classification of aerosol particles using computer controlled electron probe microanalysis |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
Talanta |
Volume |
101 |
Issue |
|
Pages |
420-427 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A method for the classification of individual aerosol particles using computer controlled electron probe microanalysis is presented. It is based on chemical boundary conditions (CBC) and enables quick and easy processing of a large set of elemental concentration data (mass%), derived from the X-ray spectra of individual particles. The particles are first classified into five major classes (sea salt related, secondary inorganic, minerals, iron-rich and carbonaceous), after which advanced data mining can be performed by examining the elemental composition of particles within each class into more detail (e.g., by ternary diagrams). The CBC method is validated and evaluated by comparing its results with the output obtained with hierarchical cluster analysis (HCA) for well-known standard particles as well as real aerosol particles collected with a cascade impactor. The CBC method gives reliable results and has a major advantage compared to HCA. CBC is based on boundary conditions that are derived from chemical logical thinking and does not require a translation of a mathematical algorithm output as does HCA. Therefore, the CBC method is more objective and enables comparison between samples without intermediate steps. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000313084400061 |
Publication Date |
2012-09-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.162 |
Times cited |
3 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 4.162; 2012 IF: 3.498 |
Call Number |
UA @ admin @ c:irua:101336 |
Serial |
5511 |
Permanent link to this record |
|
|
|
Author |
Aghaei, M.; Lindner, H.; Bogaerts, A. |
Title |
Optimization of operating parameters for inductively coupled plasma mass spectrometry : a computational study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
Volume |
76 |
Issue |
|
Pages |
56-64 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
An inductively coupled plasma, connected to a mass spectrometer interface, is computationally investigated. The effect of pressure behind the sampler, injector gas flow rate, auxiliary gas flow rate, and applied power is studied. There seems to be an optimum range of injector gas flow rate for each setup which guaranties the presence and also a proper length of the central channel in the torch. Moreover, our modeling results show that for any specific purpose, it is possible to control that either only the central gas flow passes through the sampler orifice or that it is accompanied by the auxiliary gas flow. It was also found that depending on geometry, the variation of outgoing gas flow rate is much less than the variation of the injector gas flow rate and this causes a slightly higher pressure inside the torch. The general effect of increasing the applied power is a rise in the plasma temperature, which results in a higher ionization in the coil region. However, the negative effect is reducing the length of the cool central channel which is important to transfer the sample substances to the sampler. Using a proper applied power can enhance the efficiency of the system. Indeed, by changing the gas path lines, the power can control which flow (i.e., only from injector gas or also from the auxiliary gas) goes to the sampler orifice. Finally, as also reported from experiments in literature, the pressure behind the sampler has no dramatic effect on the plasma characteristics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000311008600008 |
Publication Date |
2012-06-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0584-8547; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.241 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.241; 2012 IF: 3.141 |
Call Number |
UA @ lucian @ c:irua:101356 |
Serial |
2488 |
Permanent link to this record |
|
|
|
Author |
Horemans, B.; Van Holsbeke, C.; Vos, W.; Darchuk, L.; Novakovic, V.; Fontan, A.C.; de Backer, J.; van Grieken, R.; de Backer, W.; De Wael, K. |
Title |
Particle deposition in airways of chronic respiratory patients exposed to an urban aerosol |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
Volume |
46 |
Issue |
21 |
Pages |
12162-12169 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
Urban atmospheres in modern cities carry characteristic mixtures of particulate pollution which are potentially aggravating for chronic respiratory patients (CRP). Although air quality surveys can be detailed, the obtained information is not always useful to evaluate human health effects. This paper presents a novel approach to estimate particle deposition rates in airways of CRP, based on real air pollution data. By combining computational fluid dynamics with physical-chemical characteristics of particulate pollution, deposition rates are estimated for particles of different toxicological relevance, that is, minerals, iron oxides, sea salts, ammonium salts, and carbonaceous particles. Also, it enables some qualitative evaluation of the spatial, temporal, and patient specific effects on the particle dose upon exposure to the urban atmosphere. Results show how heavy traffic conditions increases the deposition of anthropogenic particles in the trachea and lungs of respiratory patients (here, +0.28 and +1.5 μg·h1, respectively). In addition, local and synoptic meteorological conditions were found to have a strong effect on the overall dose. However, the pathology and age of the patient was found to be more crucial, with highest deposition rates for toxic particles in adults with a mild anomaly, followed by mild asthmatic children and adults with severe respiratory dysfunctions (7, 5, and 3 μg·h1, respectively). |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000310665000082 |
Publication Date |
2012-10-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-936X;1520-5851; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.198 |
Times cited |
5 |
Open Access |
|
Notes |
; We are grateful for the financial support of n.v. Vooruitzicht. Furthermore, co-workers at the environmental analysis research group are acknowledged for their help in the fieldwork. ; |
Approved |
Most recent IF: 6.198; 2012 IF: 5.257 |
Call Number |
UA @ lucian @ c:irua:101411 |
Serial |
2557 |
Permanent link to this record |
|
|
|
Author |
Shi, H.; Pourbabak, S.; Van Humbeeck, J.; Schryvers, D. |
Title |
Electron microscopy study of Nb-rich nanoprecipitates in NiTiNb and their influence on the martensitic transformation |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
Volume |
67 |
Issue |
12 |
Pages |
939-942 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Nb-rich nanoprecipitates in the matrix of an annealed commercial NiTiNb alloy are investigated by scanning and transmission electron microscopy, including slice-and-view and chemical analysis. The precipitates have a diameter of around 100 nm, are faceted and have a cube-on-cube relation with the B2 matrix. In situ TEM cooling shows that the martensitic transformation is hampered by the presence of these precipitates. The latter could explain the increase in hysteresis when compared with the binary system. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000311135000005 |
Publication Date |
2012-08-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6462; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.747 |
Times cited |
29 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2012 IF: 2.821 |
Call Number |
UA @ lucian @ c:irua:101486 |
Serial |
971 |
Permanent link to this record |
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Author |
Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P. |
Title |
Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
209 |
Issue |
9 |
Pages |
1675-1682 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD. |
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 |
000308942100009 |
Publication Date |
2012-09-04 |
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 |
1862-6300; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
31 |
Open Access |
|
Notes |
M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). |
Approved |
Most recent IF: 1.775; 2012 IF: 1.469 |
Call Number |
UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 |
Serial |
1364 |
Permanent link to this record |
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Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Title |
Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
39 |
Pages |
20958-20965 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules. |
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 |
000309375700040 |
Publication Date |
2012-09-10 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
37 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:101522 |
Serial |
2640 |
Permanent link to this record |
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Author |
Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the phase-shift effect in Ar/CF4 capacitively coupled plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
45 |
Issue |
48 |
Pages |
485204 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional self-consistent fluid model combined with the full set of Maxwell equations is employed to investigate an Ar/CF4 capacitively coupled plasma, focusing on the phase-shift effect on the plasma characteristics at various frequencies and gas mixture ratios. When the discharge is sustained by a single frequency at 13.56 MHz in an Ar/CF4 mixture with a ratio of 0.9/0.1, no obvious difference is detected between the electron densities obtained in the so-called electrostatic model (with only the static electric fields taken into account) and the electromagnetic model (which includes the electromagnetic effects). However, as the frequency increases to 60 and 100 MHz, the difference becomes distinct, due to the significant influence of the electromagnetic effects. The phase-shift effect on the plasma radial uniformity has also been investigated in a dual frequency discharge, i.e. when the top driven source is switched on with a phase difference phiv ranging from 0 to π, in the frequency range 13.56100 MHz. At low concentration of CF4 (10%), Ar+ ions are the major positive ions in the entire range of frequencies. When the frequency is low, i.e. 13.56 MHz, the Ar+ density exhibits an off-axis peak at phiv = 0 due to the edge effect, and a better uniformity caused by the phase-shift modulation is obtained at phiv = π. At 60 MHz, the Ar+ density varies from edge-peaked at phiv = 0 to uniform (i.e. at phiv = 0.53π), and finally at phiv = π, a broad maximum is observed at the centre due to the standing-wave effect. As the frequency increases to 100 MHz, the best radial uniformity is reached at 0.25π, and the maximum moves again towards the radial wall in the reverse-phase case (phiv = π) due to the dominant skin effect. When the frequency is fixed at 100 MHz, the phase-shift control shows a different behaviour at a high concentration of CF4. For instance, the ${\rm CF}_3 |
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 |
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Wos |
000311148300011 |
Publication Date |
2012-11-06 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
Call Number |
UA @ lucian @ c:irua:101754 |
Serial |
1232 |
Permanent link to this record |
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Author |
Aerts, R.; Martens, T.; Bogaerts, A. |
Title |
Influence of vibrational states on CO2 splitting by dielectric barrier discharges |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
44 |
Pages |
23257-23273 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, the splitting of CO2 in a pulsed plasma system, such as a dielectric barrier discharge (DBD), is evaluated from a chemical point of view by means of numerical modeling. For this purpose, a chemical reaction set of CO2 in an atmospheric pressure plasma is developed, including the vibrational states of CO2, O2, and CO. The simulated pulses are matched to the conditions of a filament (or microdischarge) and repeated with intervals of 1 μs. The influence of vibrationally excited CO2 as well as other neutral species, ions, and electrons on the CO2 splitting is discussed. Our calculations predict that the electrons have the largest contribution to the CO2 splitting at the conditions under study, by electron impact dissociation. The contribution of vibrationally excited CO2 levels in the splitting of CO2 is found be 6.4%, when only considering one microdischarge pulse and its afterglow, but it can be much higher for consecutive discharge pulses, as is typical for a filamentary DBD, when the interpulse time is short enough and accumulation effects in the vibrationally excited CO2 densities can occur. |
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 |
000310769300012 |
Publication Date |
2012-10-19 |
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 |
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ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
112 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:101764 |
Serial |
1659 |
Permanent link to this record |
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Author |
Aerts, R.; Tu, X.; De Bie, C.; Whitehead, J.C.; Bogaerts, A. |
Title |
An investigation into the dominant reactions for ethylene destruction in non-thermal atmospheric plasmas |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
9 |
Issue |
10 |
Pages |
994-1000 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A crucial step, which is still not well understood in the destruction of volatile organic compounds (VOCs) with low temperature plasmas, is the initiation of the process. Here, we present a kinetic model for the destruction of ethylene in low temperature plasmas that allows us to calculate the relative importance of all plasma species and their related reactions. Modifying the ethylene concentration and/or the SED had a major impact on the relative importance of the radicals (i.e., mainly atomic oxygen) and the metastable nitrogen (i.e., more specifically N2(equation image)) in the destruction process. Our results show that the direct destruction by electron impact reactions for ethylene can be neglected; however, we can certainly not neglect the influence of N2(equation image)). |
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 |
000309750300008 |
Publication Date |
2012-07-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
46 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.846; 2012 IF: 3.730 |
Call Number |
UA @ lucian @ c:irua:101765 |
Serial |
1727 |
Permanent link to this record |
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Author |
Goris, B.; Bals, S.; van den Broek, W.; Carbó-Argibay, E.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G. |
Title |
Atomic-scale determination of surface facets in gold nanorods |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nature materials |
Abbreviated Journal |
Nat Mater |
Volume |
11 |
Issue |
11 |
Pages |
930-935 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
It is widely accepted that the physical properties of nanostructures depend on the type of surface facets1, 2. For Au nanorods, the surface facets have a major influence on crucial effects such as reactivity and ligand adsorption and there has been controversy regarding facet indexing3, 4. Aberration-corrected electron microscopy is the ideal technique to study the atomic structure of nanomaterials5, 6. However, these images correspond to two-dimensional (2D) projections of 3D nano-objects, leading to an incomplete characterization. Recently, much progress was achieved in the field of atomic-resolution electron tomography, but it is still far from being a routinely used technique. Here we propose a methodology to measure the 3D atomic structure of free-standing nanoparticles, which we apply to characterize the surface facets of Au nanorods. This methodology is applicable to a broad range of nanocrystals, leading to unique insights concerning the connection between the structure and properties of nanostructures. |
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 |
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Wos |
000310434600015 |
Publication Date |
2012-10-19 |
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 |
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ISSN |
1476-1122;1476-4660; |
ISBN |
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Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
39.737 |
Times cited |
261 |
Open Access |
|
Notes |
262348 ESMI; Hercules 3; 24691 COUNTATOMS; 267867 PLASMAQUO |
Approved |
Most recent IF: 39.737; 2012 IF: 35.749 |
Call Number |
UA @ lucian @ c:irua:101778 |
Serial |
182 |
Permanent link to this record |
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Author |
Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
16 |
Pages |
165207 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen. |
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 |
000310131300008 |
Publication Date |
2012-10-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101780 |
Serial |
202 |
Permanent link to this record |
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Author |
Sánchez-Muñoz, L.; García-Guinea, J.; Zagorsky, V.Y.; Juwono, T.; Modreski, P.J.; Cremades, A.; Van Tendeloo, G.; de Moura, O.J.M. |
Title |
The evolution of twin patterns in perthitic K-feldspar from garnitic pegmatites |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Canadian mineralogist |
Abbreviated Journal |
Can Mineral |
Volume |
50 |
Issue |
4 |
Pages |
989-1024 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Grains of K-feldspar are commonly seen as heterogeneous mixtures of mineral species and varieties with random microstructures. Most consider that observable features arise from incomplete re-equilibrations owing to slow kinetic and localized effects of aqueous fluids (catalyst), with geological environment and chemical impurities playing only a secondary role. Here, an alternative approach is explored by studying well-preserved regularities in the twin patterns of K-feldspars formed in the subsolidus stage from a historical perspective. Selected samples from granitic pegmatites were studied by polarized light optical microscopy (PLOM), electron-probe micro-analysis (EPMA), scanning (SEM) and transmission electron microscopy (TEM), cathodoluminescence imaging (CL), micro-Raman spectroscopy (MRS) and 31P nuclear magnetic resonance (NMR). We have found that the essential feature of this crystalline medium is the astounding capability to recrystallize in self-organized twin patterns. The mechanism involves coupling between short-range atomic motion, and long-range displacive correlations propagated as ideal and non-ideal Albite and Pericline orientations. We suggest a general evolutionary process to explain the development of macroscopic twin patterns in microcline, based on three twin generations as microtwins, macrotwins and cryptotwins. Evolutionary variants also were identified; they depend on both internal crystallochemical features and an external geological stimulus. We suggest a continuous monoclinictriclinic transformation for impure K-feldspar, whereas a discontinuous inversion occurs where the starting composition is close to the ideal chemical formula. Twin patterns can evolve by twin coarsening to single-orientation microcline if the system releases energy, or by twin fragmentation to finely twinned microcline if the system stores energy. Hence, K-feldspar is seen here as a very sensitive medium in which precious geological information is recorded in the form of twin patterns, and thus useful for general geological challenges. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Toronto |
Editor |
|
Language |
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Wos |
000314174400015 |
Publication Date |
2012-10-29 |
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 |
0008-4476;1499-1276; |
ISBN |
|
Additional Links ![sorted by Additional Links field, ascending order (up)](img/sort_asc.gif) |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.817 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 0.817; 2012 IF: 1.180 |
Call Number |
UA @ lucian @ c:irua:101781 |
Serial |
1103 |
Permanent link to this record |