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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
141 |
Issue |
20 |
Pages |
204104 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000345641400005 |
Publication Date  |
2014-11-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606;1089-7690; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
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Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
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Author |
Tinck, S.; Neyts, E.C.; Bogaerts, A. |
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Title |
Fluorinesilicon surface reactions during cryogenic and near room temperature etching |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
118 |
Issue |
51 |
Pages |
30315-30324 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Cyrogenic etching of silicon is envisaged to enable better control over plasma processing in the microelectronics industry, albeit little is known about the fundamental differences compared to the room temperature process. We here present molecular dynamics simulations carried out to obtain sticking probabilities, thermal desorption rates, surface diffusion speeds, and sputter yields of F, F2, Si, SiF, SiF2, SiF3, SiF4, and the corresponding ions on Si(100) and on SiF13 surfaces, both at cryogenic and near room temperature. The different surface behavior during conventional etching and cryoetching is discussed. F2 is found to be relatively reactive compared to other species like SiF03. Thermal desorption occurs at a significantly lower rate under cryogenic conditions, which results in an accumulation of physisorbed species. Moreover, ion incorporation is often observed for ions with energies of 30400 eV, which results in a relatively low net sputter yield. The obtained results suggest that the actual etching of Si, under both cryogenic and near room temperature conditions, is based on the complete conversion of the Si surface to physisorbed SiF4, followed by subsequent sputtering of these molecules, instead of direct sputtering of the SiF03 surface. |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000347360200101 |
Publication Date |
2014-11-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
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Call Number |
UA @ lucian @ c:irua:122957 |
Serial |
1239 |
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Author |
Anaf, W.; Bencs, L.; Van Grieken, R.; Janssens, K.; De Wael, K. |
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Title |
Indoor particulate matter in four Belgian heritage sites : case studies on the deposition of dark-colored and hygroscopic particles |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
The science of the total environment |
Abbreviated Journal |
Sci Total Environ |
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Volume |
506 |
Issue |
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Pages |
361-368 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Atmospheric total suspended particulate (TSP) was passively sampled by means of deployed horizontal and vertical filters in various rooms of four Belgian cultural heritage buildings, installed with various heating/ventilation systems. Soiling/blackening and deposition of inorganic, water-soluble aerosol components were considered. The extent of soiling was determined by means of two independent methods: (1) in terms of the covering rate of the samplers by optical reflection microscopy and (2) the reduction in lightness of the samplers using the CIE L*a*b* color space by spectrophotometry. A fairly good correlation was found between both methods. The inorganic composition of the deposited water-soluble TSP was quantified by means of ion chromatography. Compared to controlled environments, uncontrolled environments showed increased water-soluble aerosol content of the total deposited mass. Higher chloride deposition was observed on horizontal surfaces, compared to vertical surfaces. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000347576800039 |
Publication Date |
2014-11-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0048-9697 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.9 |
Times cited |
12 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.9; 2015 IF: 4.099 |
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Call Number |
UA @ admin @ c:irua:120640 |
Serial |
5662 |
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Author |
Yalcin, A.O.; Goris, B.; van Dijk-Moes, R.J.A.; Fan, Z.; Erdamar, A.K.; Tichelaar, F.D.; Vlugt, T.J.H.; Van Tendeloo, G.; Bals, S.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; |
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Title |
Heat-induced transformation of CdSe-CdS-ZnS coremultishell quantum dots by Zn diffusion into inner layers |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
51 |
Issue |
51 |
Pages |
3320-3323 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this work, we investigate the thermal evolution of CdSeCdSZnS coremultishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this transformation, CdxZn1−xSeCdyZn1−yS coreshell QDs are obtained. |
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Corporate Author |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000349325000004 |
Publication Date |
2014-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.319 |
Times cited |
21 |
Open Access |
OpenAccess |
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Notes |
262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2015 IF: 6.834 |
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Call Number |
c:irua:132582 |
Serial |
1412 |
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Author |
N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton |
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Title |
Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices |
Type |
A1 Journal Article |
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Year |
2014 |
Publication |
Physical Review B |
Abbreviated Journal |
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Volume |
90 |
Issue |
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Pages |
195140 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was
investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K,
Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O
K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface,
possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation.
The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The
O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in
the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O
hybridization due to heterostructuring as possible origin. |
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Corporate Author |
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Place of Publication |
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Wos |
000345467000003 |
Publication Date |
2014-11-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
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Impact Factor |
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Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @ |
Serial |
4544 |
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Author |
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. |
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Title |
Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
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Volume |
4 |
Issue |
4 |
Pages |
N3127-N3133 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
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Language |
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Wos |
000349547900018 |
Publication Date |
2014-11-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2162-8769;2162-8777; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.787 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.787; 2015 IF: 1.558 |
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Call Number |
c:irua:125296 |
Serial |
1150 |
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Author |
Guerrero, A.; Pfannmöller, M.; Kovalenko, A.; Ripolles, T.S.; Heidari, H.; Bals, S.; Kaufmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G. |
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Title |
Nanoscale mapping by electron energy-loss spectroscopy reveals evolution of organic solar cell contact selectivity |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Organic electronics: physics, materials, applications |
Abbreviated Journal |
Org Electron |
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Volume |
16 |
Issue |
16 |
Pages |
227-233 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Organic photovoltaic (OPV) devices are on the verge of commercialization being long-term stability a key challenge. Morphology evolution during lifetime has been suggested to be one of the main pathways accounting for performance degradation. There is however a lack of certainty on how specifically the morphology evolution relates to individual electrical parameters on operating devices. In this work a case study is created based on a thermodynamically unstable organic active layer which is monitored over a period of one year under non-accelerated degradation conditions. The morphology evolution is revealed by compositional analysis of ultrathin cross-sections using nanoscale imaging in scanning transmission electron microscopy (STEM) coupled with electron energy-loss spectroscopy (EELS). Additionally, devices are electrically monitored in real-time using the non-destructive electrical techniques capacitance-voltage (C-V) and Impedance Spectroscopy (IS). By comparison of imaging and electrical techniques the relationship between nanoscale morphology and individual electrical parameters of device operation can be conclusively discerned. It is ultimately observed how the change in the cathode contact properties occurring after the migration of fullerene molecules explains the improvement in the overall device performance. (C) 2014 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000345649500029 |
Publication Date |
2014-11-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1566-1199; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.399 |
Times cited |
24 |
Open Access |
OpenAccess |
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Notes |
287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 3.399; 2015 IF: 3.827 |
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Call Number |
c:irua:122169 |
Serial |
2267 |
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Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
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Title |
Tuning of the electronic and optical properties of single-layer black phosphorus by strain |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
20 |
Pages |
205421 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example, while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G(0)W(0) scheme. Applied tensile strain was shown to significantly enhance electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at -8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of -8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum. |
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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 |
000345642000015 |
Publication Date |
2014-11-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
219 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122203 |
Serial |
3752 |
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Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
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Title |
Nonlinear response to electric field in extended Hubbard models |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
20 |
Pages |
205121 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular. |
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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 |
000345423300002 |
Publication Date |
2014-11-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122204 |
Serial |
2355 |
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Author |
Jiang, W.; Zhang, Y.; Bogaerts, A. |
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Title |
Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
16 |
Issue |
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Pages |
113036 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000346763400006 |
Publication Date |
2014-11-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.786; 2014 IF: 3.558 |
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| |
Call Number |
UA @ lucian @ c:irua:120455 |
Serial |
2393 |
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| Permanent link to this record |
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Author |
Lobovikov-Katz, A.; Moropoulou, A.; Konstanti, A.; Ortiz Calderon, P.; Van Grieken, R.; Worth, S.; Cassar, J.A.; De Angelis, R.; Biscontin, G.; Izzo, F.C. |
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| |
Title |
Tangible versus intangible in e-learning on cultural heritage : from online learning to on-site study of historic sites |
Type |
P1 Proceeding |
| |
Year |
2014 |
Publication |
Lecture notes in computer science
T2 – 5th EuroMed International Conference, NOV 03-08, 2014, Amathus, CYPRUS |
Abbreviated Journal |
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|
| |
Volume |
8740 |
Issue |
|
Pages |
819-828 |
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| |
Keywords |
P1 Proceeding; Documentation and information; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
The revolutionary development in digital theory and technology calls for non-trivial decisions in bridging between the virtual and real worlds. The field of conservation of cultural heritage thus provides various challenges, especially with regards to learning, study and investigation of tangible heritage through applications of intangible ICT technologies. This paper examines the interaction between e-learning, and the actual on-site learning and study of historic buildings and sites, with an emphasis on their visual characteristics. In this context, the paper presents some aspects of application of a methodology which allows basic documentation, monitoring and primary analysis of data on cultural (built) heritage sites by general public through educational process enabled by an e-learning platform. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000354774500084 |
Publication Date |
2014-11-14 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
978-3-319-13694-3; 978-3-319-13695-0; 978-3-319-13694-3; 0302-9743; 1611-3349 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:126395 |
Serial |
8641 |
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| Permanent link to this record |
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Author |
Hamidi-Asl, E.; Daems, D.; De Wael, K.; Van Camp, G.; Nagels, L.J. |
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| |
Title |
Concentration related response potentiometric titrations to study the interaction of small molecules with large biomolecules |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
86 |
Issue |
24 |
Pages |
12243-12249 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
In the present article, the utility of a special potentiometric titration approach for recognition and calculation of biomolecule/small molecule interactions is reported. This approach is fast, sensitive, reproducible and inexpensive in comparison to the other methods for the determination of the association constant values (Ka) and the interaction energies (ΔG). The potentiometric titration measurement is based on the use of a classical polymeric membrane indicator electrode in a solution of the small molecule ligand. The biomolecule is used as a titrant. The potential is measured versus a reference electrode and transformed to a concentration related signal over the entire concentration interval, also at low concentrations, where the mV (y-axis) versus logcanalyte (x-axis) potentiometric calibration curve is not linear. In the procedure, the Ka is calculated for the interaction of cocaine with a cocaine binding aptamer and with an anti-cocaine antibody. To study the selectivity and cross-reactivity, other oligonucleotides and aptamers are tested, as well as other small ligand molecules such as tetrakis (4-chlorophenyl)borate, metergoline, lidocaine, and bromhexine. The calculated Ka compared favorably to the value reported in the literature using SPR. The potentiometric titration approach called Concentration related Response Potentiometry, is used to study molecular interaction for 7 macromolecular target molecules and 4 small molecule ligands. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000346683900048 |
Publication Date |
2014-11-13 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.32 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; Financial support for this work was provided by the University of Antwerp by granting L.J.N., K.D.W, G.V.C., and Ronny Blust a POC interdisciplinary research project. ; |
Approved |
Most recent IF: 6.32; 2014 IF: 5.636 |
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| |
Call Number |
UA @ admin @ c:irua:120164 |
Serial |
5548 |
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| Permanent link to this record |
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Author |
Zaikina, J.V.; Batuk, M.; Abakumov, A.M.; Navrotsky, A.; Kauziarich, S.M. |
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| |
Title |
Facile synthesis of Ba1-xKxFe2As2 superconductors via hydride route |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
| |
Volume |
136 |
Issue |
48 |
Pages |
16932-16939 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We have developed a fast, easy, and scalable synthesis method for Ba1xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1xKxFe2As2 obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
|
Wos |
000345883900040 |
Publication Date |
2014-11-11 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.858 |
Times cited |
13 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 13.858; 2014 IF: 12.113 |
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| |
Call Number |
UA @ lucian @ c:irua:121331 |
Serial |
1169 |
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| Permanent link to this record |
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Author |
de Backer, A.; De wael, A.; Gonnissen, J.; Van Aert, S. |
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Title |
Optimal experimental design for nano-particle atom-counting from high-resolution STEM images |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
151 |
Issue |
151 |
Pages |
46-55 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
In the present paper, the principles of detection theory are used to quantify the probability of error for atom-counting from high resolution scanning transmission electron microscopy (HR STEM) images. Binary and multiple hypothesis testing have been investigated in order to determine the limits to the precision with which the number of atoms in a projected atomic column can be estimated. The probability of error has been calculated when using STEM images, scattering cross-sections or peak intensities as a criterion to count atoms. Based on this analysis, we conclude that scattering cross-sections perform almost equally well as images and perform better than peak intensities. Furthermore, the optimal STEM detector design can be derived for atom-counting using the expression for the probability of error. We show that for very thin objects LAADF is optimal and that for thicker objects the optimal inner detector angle increases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000351237800007 |
Publication Date |
2014-11-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.843 |
Times cited |
24 |
Open Access |
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| |
Notes |
312483 Esteem2; Fwo G039311; G037413; esteem2_jra2 |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
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| |
Call Number |
c:irua:123926 c:irua:123926 |
Serial |
2481 |
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| Permanent link to this record |
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Author |
Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.; |
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Title |
Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
90 |
Issue |
18 |
Pages |
180101 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344915100001 |
Publication Date |
2014-11-10 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:122097 |
Serial |
406 |
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| Permanent link to this record |
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Author |
Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. |
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Title |
Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
90 |
Issue |
20 |
Pages |
205408 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344915800009 |
Publication Date |
2014-11-10 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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| |
Notes |
; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:122141 |
Serial |
2497 |
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| Permanent link to this record |
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Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. |
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| |
Title |
Computed electronic and optical properties of SnO2 under compressive stress |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
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| |
Volume |
38 |
Issue |
|
Pages |
161-166 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000346228800028 |
Publication Date |
2014-11-08 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.238 |
Times cited |
6 |
Open Access |
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| |
Notes |
; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; |
Approved |
Most recent IF: 2.238; 2014 IF: 1.981 |
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Call Number |
UA @ lucian @ c:irua:122747 |
Serial |
460 |
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| Permanent link to this record |
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Author |
Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. |
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Title |
Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
105 |
Issue |
18 |
Pages |
183903 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000345000000086 |
Publication Date |
2014-11-08 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
17 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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| |
Call Number |
UA @ lucian @ c:irua:121329 |
Serial |
2038 |
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| Permanent link to this record |
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Author |
Buffière, M.; Zaghi, A.E.; Lenaers, N.; Batuk, M.; Khelifi, S.; Drijkoningen, J.; Hamon, J.; Stesmans, A.; Kepa, J.; Afanas’ev, V.V.; Hadermann, J.; D’Haen, J.; Manca, J.; Vleugels, J.; Meuris, M.; Poortmans, J.; |
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| |
Title |
Effect of binder content in Cu-In-Se precursor ink on the physical and electrical properties of printed CuInSe2 solar cells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
118 |
Issue |
47 |
Pages |
27201-27209 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Printed chalcopyrite thin films have attracted considerable attention in recent years due to their potential in the high-throughput production of photovoltaic devices. To improve the homogeneity of printed CuInSe2 (CISe) layers, chemical additives such as binder can be added to the precursor ink. In this contribution, we investigate the influence of the dicyandiamide (DCDA) content, used as a binder in the precursor ink, on the physical and electrical properties of printed CISe solar cells. It is shown that the use of the binder leads to a dense absorber, composed of large CISe grains close to the surface, while the bulk of the layer consists of CISe crystallites embedded in a CuxS particle based matrix, resulting from the limited sintering of the precursor in this region. The expected additional carbon contamination of the CISe layer due to the addition of the binder appears to be limited, and the optical properties of the CISe layer are similar to the reference sample without additive. The electrical characterization of the corresponding CISe/CdS solar cells shows a degradation of the efficiency of the devices, due to a modification in the predominant recombination mechanisms and a limitation of the space charge region width when using the binder; both effects could be explained by the inhomogeneity of the bulk of the CISe absorber and high defect density at the CISe/CuxS-based matrix interface. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
|
Wos |
000345722400003 |
Publication Date |
2014-11-06 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
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| |
Call Number |
UA @ lucian @ c:irua:121332 |
Serial |
801 |
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| Permanent link to this record |
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| |
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Author |
Lukyanchuk, I.; Vinokur, V.M.; Rydh, A.; Xie, R.; Milošević, M.V.; Welp, U.; Zach, M.; Xiao, Z.L.; Crabtree, G.W.; Bending, S.J.; Peeters, F.M.; Kwok, W.K. |
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| |
Title |
Rayleigh instability of confined vortex droplets in critical superconductors |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
|
| |
Volume |
11 |
Issue |
11 |
Pages |
21-25 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000346831100018 |
Publication Date |
2014-11-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1745-2473;1745-2481; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
22.806 |
Times cited |
20 |
Open Access |
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| |
Notes |
; We would like to thank N. Nekrasov for illuminating discussions. The work was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division (V.M.V., W.K.K., U.W., R.X., M.Z., Z.L.X., G.W.C. and partially I.L. through the Materials Theory Institute), by FP7-IRSES-SIMTECH and ITN-NOTEDEV programs (I.L.), and by the Flemish Science Foundation (FWO-Vlaanderen) (M.V.M. and F.M.P.). ; |
Approved |
Most recent IF: 22.806; 2015 IF: 20.147 |
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| |
Call Number |
c:irua:122791 c:irua:122791 |
Serial |
2815 |
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| Permanent link to this record |
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Author |
Pospisilova, A.; Filippov, S.K.; Bogomolova, A.; Turner, S.; Sedlacek, O.; Matushkin, N.; Cernochova, Z.; Stepanek, P.; Hruby, M. |
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Title |
Glycogen-graft-poly(2-alkyl-2-oxazolines) – the new versatile biopolymer-based thermoresponsive macromolecular toolbox |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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| |
Volume |
4 |
Issue |
106 |
Pages |
61580-61588 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This study is focused on thermoresponsive glycogen-graft-poly(2-alkyl-2-oxazolines), a new group of nanostructured hybrid dendrimeric stimuli-responsive polymers connecting the body's own biodegradable polysaccharidic dendrimer glycogen with the widely tuneable thermoresponsive behavior of polypeptide-analogic poly(2-alkyl-2-oxazolines), which are known to be biocompatible. Glycogen-graft-poly(2-alkyl-2-oxazolines) were prepared by a simple one-pot two-step procedure involving cationic ring-opening polymerization of 2-alkyl-2-oxazolines followed by termination of the living cationic ends with sodium glycogenate. As confirmed by light and X-ray scattering, as well as cryo-transmission electron microscopy, the grafted dendrimer structure allows easy adjustment of the cloud point temperature, the concentration dependence and nanostructure of the self-assembled phase separated polymer by crosstalk during graft composition, the graft length and the grafting density, in a very wide range. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000345656600045 |
Publication Date |
2014-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
15 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number |
UA @ lucian @ c:irua:122222 |
Serial |
1355 |
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| Permanent link to this record |
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Author |
Colin D. Judge, Nicolas Gauquelin, Lori Walters, Mike Wright, James I. Cole, James Madden, Gianluigi A. Botton, Malcolm Griffiths |
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Title |
Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen |
Type |
A1 Journal Article |
| |
Year |
2015 |
Publication |
Journal of Nuclear Materials |
Abbreviated Journal |
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| |
Volume |
457 |
Issue |
457 |
Pages |
165-172 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
In recent years, it has been observed that Inconel X-750 spacers in CANDU reactors exhibits lower ductility with reduced load carrying capacity following irradiation in a reactor environment. The fracture behaviour of ex-service material was also found to be entirely intergranular at high doses. The thermalized flux spectrum in a CANDU reactor leads to transmutation of 58Ni to 59Ni. The 59Ni itself has unusually high thermal neutron reaction cross-sections of the type: (n, γ), (n, p), and (n, α). The latter two reactions, in particular, contribute to a significant enhancement of the atomic displacements in addition to creating high concentrations of hydrogen and helium within the material. Microstructural examinations by transmission electron microscopy (TEM) have confirmed the presence of helium bubbles in the matrix and aligned along grain boundaries and matrix–precipitate interfaces. Helium bubble size and density are found to be highly dependent on the irradiation temperature and material microstructure; the bubbles are larger within grain boundary precipitates. TEM specimens extracted from fracture surfaces and crack tips provide information that is consistent with crack propagation along grain boundaries due to the presence of He bubbles. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000349169100022 |
Publication Date |
2014-11-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
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Impact Factor |
|
Times cited |
29 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @ |
Serial |
4540 |
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| Permanent link to this record |
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Author |
Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K. |
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Title |
Optimization of sample clean-up for the GC-C-IRMS and GC-IT-MS analysis of PAHs from air particulate matter |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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Volume |
119 |
Issue |
|
Pages |
83-92 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The optimization of sample clean-up for the analysis of air particulate matter PAHs stable carbon isotope ratio using Solid Phase Extraction (SPE) cartridges is described in this paper. Various adsorbents, such as silica gel, alumina, florisil, commercially available for sample purification were compared. Best performance for the clean-up of 24-h air particulate matter samples was obtained with activated silica-gel columns in terms of selectivity and reproducibility. One step clean-up was optimized for concentration determination and in case of co-elutions, a second step was additionally used for carbon isotope ratio analysis. The method was subsequently validated with standard reference material and was checked for carbon isotope fractionation artefacts. No significant differences in δ13C values were found for unprocessed solutions of PAHs and solution subjected to the extraction and purification procedure. The procedure was tested on air particulate matter samples collected in three different locations in Belgium. Statistically significant differences in carbon isotope ratio of PAHs between Borgerhout location and Zelzate or Gent were noticed, confirming the differences in distribution and diagnostic ratios found during the concentration analyses and different PAH sources in these locations. The results, therefore, seem very promising for the use of δ13C of PAHs as an additional information helpful in source identification of these pollutants |
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Corporate Author |
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Place of Publication |
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Wos |
000348957800013 |
Publication Date |
2014-11-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.034 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.034; 2015 IF: 2.746 |
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Call Number |
UA @ admin @ c:irua:120641 |
Serial |
5759 |
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Author |
Benito, P.; Monti, M.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al. |
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Title |
Improvement in the coating homogeneity in electrosynthesized Rh structured catalysts for the partial oxidation of methane |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
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Volume |
246 |
Issue |
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Pages |
154-164 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The precipitation of Rh/Mg/Al and Rh/Al hydroxides on the surface of FeCrAlloy foams by a base electrogeneration method was investigated to improve the properties of the deposited film (homogeneity and composition) and therefore the performances of the structured catalysts, obtained by calcination, in the Catalytic Partial Oxidation of CH4 to syngas. The work focussed on decreasing current gradients within open-cell foam cylinders by increasing the number of electrical contacts from 1 to 3 points to promote a more homogeneous precipitation of the hydroxides. Electrochemical and catalytic tests as well as SEM/EDS and mu-XRFIXRD analyses allowed to correlate the effect of the number of electrical contact points with materials properties. Lastly, syntheses were performed on Pt plates to study the effect of the electrical behaviour and shape of the support on the composition of the film. A more homogeneous coating of the foam surface was achieved by adopting a configuration with 3 contact points since the reduction of nitrates and water molecules that generates the basic media in the vicinity of the support was enhanced. Layer thicknesses up to 5-15 mu m were deposited; however, the sequential precipitation of a film with composition closer to the expected one and a layer enriched in Al and Rh (outer layer) was not avoided. The improvement in the coating gave rise to enhanced performances for a sample prepared at -1.1 V for 3000 s. Contrarily, the low adherence of the outer layer in a sample prepared at -1.2 V for 2000 s during both calcination and catalytic tests may be responsible of the unexpected decrease in catalytic performances. The same sequential precipitation was observed by performing the syntheses on Pt plates, showing that the electrical nature the support did not play a key role on this phenomenon. (C) 2014 Elsevier B.V. All rights reserved. |
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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 |
000349998300020 |
Publication Date |
2014-10-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0920-5861 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.636 |
Times cited |
14 |
Open Access |
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Notes |
; The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. The authors thank D. Grolimund and C.N. Borca for assisting the mu XRF/XRD conducted experiments at MicroXAS Beamline of SLS Thanks are due to Porvair for supplying FeCrAlloy foams. ; |
Approved |
Most recent IF: 4.636; 2015 IF: 3.893 |
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Call Number |
UA @ admin @ c:irua:124616 |
Serial |
5656 |
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| Permanent link to this record |
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Author |
Ayalew, E.; Gebre, Y.; De Wael, K. |
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Title |
A survey of occupational exposure to inhalable wood dust among workers in small- and medium-scale wood-processing enterprises in Ethiopia |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
The annals of occupational hygiene |
Abbreviated Journal |
Ann Occup Hyg |
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Volume |
59 |
Issue |
2 |
Pages |
253-257 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A study of wood dust exposure in 20 small- and medium-scale wood-processing enterprises was performed in Ethiopia. Sampling was conducted daily from January to June, 2013 and a total of 360 samples from 113 workers were collected with Institute of Occupational Medicine (IOM) personal samplers. Eight-hour time-weighted average exposure to wood dust ranged from 0.24 to 23.3mg m−3 with a geometric mean (GM) of 6.82mg m−3 and a geometric standard deviation of 1.82. Although Ethiopia did not have any defined standard of Occupational Exposure Limit for wood dust exposure, 71% of the measurements exceeded the limit of 5mg m−3 set by the European Union (EU). Higher than the EU exposure limit was measured while workers perform sanding and sawing activities with a GM of 9.72 and 7.60mg m−3, respectively. In conclusion, wood workers in the small- and medium-scale enterprises are at a higher risk of developing different respiratory health problems with continuous exposure trends. |
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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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Wos |
000352158700011 |
Publication Date |
2014-10-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-4878 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.71 |
Times cited |
4 |
Open Access |
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Notes |
; Eyasu Ayalew thanks the Addis Ababa University (Center for Environmental Sciences) for the personal grant for independent study. ; |
Approved |
Most recent IF: 1.71; 2015 IF: 2.101 |
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Call Number |
UA @ admin @ c:irua:119739 |
Serial |
5857 |
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Author |
Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D. |
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Title |
Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
14 |
Issue |
11 |
Pages |
6257-6262 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington |
Editor |
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Language |
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Wos |
000345723800036 |
Publication Date |
2014-10-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
43 |
Open Access |
OpenAccess |
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Notes |
Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
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Call Number |
UA @ lucian @ c:irua:122209 |
Serial |
490 |
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| Permanent link to this record |
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Author |
Ovsyannikov, S.V.; Karkin, A.E.; Morozova, N.V.; Shchennikov, V.V.; Bykova, E.; Abakumov, A.M.; Tsirlin, A.A.; Glazyrin, K.V.; Dubrovinsky, L. |
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Title |
A hard oxide semiconductor with a direct and narrow bandgap and switchable pn electrical conduction |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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Volume |
26 |
Issue |
48 |
Pages |
8185-8191 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
An oxide semiconductor (perovskite-type Mn2O3) is reported which has a narrow and direct bandgap of 0.45 eV and a high Vickers hardness of 15 GPa. All the known materials with similar electronic band structures (e.g., InSb, PbTe, PbSe, PbS, and InAs) play crucial roles in the semiconductor industry. The perovskite-type Mn2O3 described is much stronger than the above semiconductors and may find useful applications in different semiconductor devices, e.g., in IR detectors. |
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Corporate Author |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000346480800016 |
Publication Date |
2014-10-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0935-9648; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
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Call Number |
UA @ lucian @ c:irua:122230 |
Serial |
1408 |
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Author |
Van de Voorde, L.; Vandevijvere, M.; Vekemans, B.; Van Pevenage, J.; Caen, J.; Vandenabeele, P.; van Espen, P.; Vincze, L. |
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Title |
Study of a unique 16th century Antwerp majolica floor in the Rameyenhof castle's chapel by means of X-ray fluorescence and portable Raman analytical instrumentation |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
102 |
Issue |
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Pages |
28-35 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
The most unique and only known 16th century Antwerp majolica tile floor in Belgium is situated in a tower of the Rameyenhof castle (Gestel, Belgium). This exceptional work of art has recently been investigated in situ by using X-ray fluorescence (XRF) and Raman spectroscopy in order to study the material characteristics. This study reports on the result of the analyses based on the novel combination of non-destructive and portable instrumentation, including a handheld XRF spectrometer for obtaining elemental information and a mobile Raman spectrometer for retrieving structural and molecular information on the floor tiles in the Rameyenhof castle and on a second, similar medallion, which is stored in the Rubens House museum in Antwerp (Belgium). The investigated material, majolica, is a type of ceramic, which fascinated many people and potters throughout history by its beauty and colourful appearance. In this study the characteristic major/minor and trace element signature of 16th century Antwerp majolica is determined and the pigments used for the colourful paintings present on the floor are identified. Furthermore, based on the elemental fingerprint of the white glaze, and in particular on the presence of zinc in the tiles – an element that was not used for making 16th century majolica – valuable information about the originality of the chapel floor and the two central medallions is acquired. (C) 2014 Elsevier B.V. All rights reserved. |
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Place of Publication |
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Wos |
000347604100005 |
Publication Date |
2014-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:123850 |
Serial |
8592 |
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Author |
Silva, A.L.M.; Carvalho, M.L.; Janssens, K.; Veloso, J.F.C.A. |
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Title |
A large area full-field EDXRF imaging system based on a THCOBRA gaseous detector |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
30 |
Issue |
2 |
Pages |
343-352 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
By taking advantage of the attractive features in terms of gain, position and energy resolution of the 2D-THCOBRA detector, a new large area Full-Field X-ray Fluorescence Imaging (FF-XRFI) system for EDXRF imaging applications was developed. The proposed FF-XRFI system has an active area of 10 x 10 cm(2) and can be used to examine macroscopic samples with a moderately good energy resolution (< 1.6 keV FWHM at 8 keV) and a suitable spatial resolution (similar to 500 mu m FWHM). This combination of characteristics allows us to record elemental distribution maps from the surface of different sample types by combining image and energy information. Two different approaches were used for X-ray optics, one based on a single pinhole and another based on a parallel multiple-hole collimator. To illustrate the system capabilities, some sample examples were imaged and studied. |
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Wos |
000349145700003 |
Publication Date |
2014-10-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
11 |
Open Access |
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Notes |
; The authors thank Stijn Legrand for acquisition of the MAXRF maps shown in Fig. 15. This work was partially supported by projects CERN/FP/123604/2011 FEDER, COMPETE and FCT (Lisbon) programs. A. L. M. Silva is supported by the QREN programme Mais Centro – Programa Operacional Regional do Centro, FEDER and COMPETE, through the project Biomaterials for Regenerative Medicine (CENTRO-07-ST24-FEDER-002030). ; |
Approved |
Most recent IF: 3.379; 2015 IF: 3.466 |
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Call Number |
UA @ admin @ c:irua:125297 |
Serial |
5452 |
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| Permanent link to this record |
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Author |
Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S. |
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Title |
Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
4 |
Issue |
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Pages |
56200-56206 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution. |
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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 |
000344997800060 |
Publication Date |
2014-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
10 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number |
UA @ admin @ c:irua:121377 |
Serial |
5945 |
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| Permanent link to this record |
