| Records |
| Author |
Parsons, T.G.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A. |
Title  |
Preparation of the noncentrosymmetric ferrimagnetic phase La0.9Ba0.1Mn0.96O2.43 by topochemical reduction |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Solid State Chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
287 |
Issue |
|
Pages |
121356-121357 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Topochemical reduction of La0.9Ba0.1MnO3 with NaH at 225 degrees C yields the brownmillerite phase La0.9Ba0.1MnO2.5. However, reduction with CaH2 at 435 degrees C results in the formation of La0.9Ba0.1Mn0.96O2.43 via the deintercalation of both oxide anions and manganese cations from the parent perovskite phase. Electron and neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts a complex noncentrosymmetric structure, described in space group I23, confirmed by SHG measurements. Low-temperature neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts an ordered magnetic structure in which all the nearest neighbor interactions are antiferromagnetic. However, the presence of ordered manganese cation-vacancies results in a net ferrimagnetic structure with net saturated moment of 0.157(2) mu B per manganese center. |
| 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 |
000533632700029 |
Publication Date |
2020-04-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.3 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
; We thank the EPSRC for funding this work and E. Suard for assisting with the collection of the neutron powder diffraction data. PSH thanks the Welch Foundation (Grant E-1457) for support. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 2.299 |
| Call Number |
UA @ admin @ c:irua:169450 |
Serial |
6583 |
| Permanent link to this record |
| |
|
| |
| Author |
Peng, L.; Philippaerts, A.; Ke, X.; van Noyen, J.; de Cleppel, F.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
| Title |
Preparation of sulfonated ordered mesoporous carbon and its use for the esterification of fatty acids |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
| Volume |
150 |
Issue |
1/2 |
Pages |
140-146 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Mesoporous carbon, which can be replicated from mesoporous silica and whose surface is hydrophobic, can be an ideal catalyst for the esterification of fatty acids. Here we report an easy and low cost way to prepare sulfonic acid group-functionalized mesoporous carbon. A sample of calcined mesoporous silica SBA-15 was added to an aqueous sucrose solution followed by drying and calcination at different temperatures. In contrast to existing procedures, the obtained hybrid Si/C material was then first sulfonated in H2SO4, before the final removal of the silica template in order to stabilize the porous structure towards the liquid phase sulfonation treatment. Thus the silicacarbon composites, instead of the mesoporous carbon, were successfully sulfonated to introduce SO3H groups, while keeping the ordered mesoporous structure intact. The influence of carbonization temperature was investigated, suggesting an optimum temperature of 873 K. The SO3H group-functionalized mesoporous carbon, denoted as CMK-3-873-SO3H, was characterized by means of XRD, N2 physisorption, SEM, FT-IR, elemental analysis and TEM. It followed that a uniform mesoporous carbon was obtained with an average pore size of 3.89 nm, a specific surface of 807 m2/g and a SO3H group loading of 0.39 meq/g of dry material. Compared with other solid acid catalysts, the resulting material shows enhanced activity in the acid-catalyzed esterification of oleic acid with methanol, and can be used repeatedly. The increased catalytic performance is attributed to the hydrophobic surface and larger pore size of the new catalyst. It can effectively accommodate long chain fatty acids and reject formed water, making the active sites easily accessible. |
| 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 |
|
| Language |
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Wos |
000275566700024 |
Publication Date |
2009-09-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0920-5861; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.636 |
Times cited |
132 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.636; 2010 IF: 2.993 |
| Call Number |
UA @ lucian @ c:irua:81739 |
Serial |
2706 |
| Permanent link to this record |
| |
|
| |
| Author |
Ahonen, P.P.; Kauppinen, E.I.; Joubert, J.C.; Deschanvres, J.L.; Van Tendeloo, G. |
| Title |
Preparation of nanocrystalline titania powder via aerosol pyrolysis of titanium tetrabutoxide |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Journal of materials research |
Abbreviated Journal |
J Mater Res |
| Volume |
14 |
Issue |
10 |
Pages |
3938-3948 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanocrystalline titanium dioxide was prepared via aerosol pyrolysis of titanium alkoxide precursor at 200-580 degrees C in air and in nitrogen atmospheres. Powders were characterized by x-ray diffraction, thermogravimetric analysis, Brunauer-Emmett-Teller analysis, scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, x-ray fluorescence, Raman and infrared spectroscopy, and Berner-type low-pressure impactor. The anatase phase transition was initiated at 500 degrees C in nitrogen and at 580 degrees C in air. Under other conditions amorphous powders were observed and transformed to nanocrystalline TiO2 via thermal postannealing. In air, smooth and spherical particles with 2-4-mu m diameter were formed with an as-expected tendency to convert to rutile in the thermal postannealings. In nitrogen, a fraction of the titanium tetrabutoxide precursor evaporated and formed ultrafine particles via the gas-to-particle conversion. At 500 degrees C thermally stable anatase phase was formed in nitrogen. A specific surface area as high as 280 m(2) g(-1) was observed for an as-prepared powder. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000083163700019 |
Publication Date |
2008-03-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0884-2914;2044-5326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.673 |
Times cited |
38 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.673; 1999 IF: 1.574 |
| Call Number |
UA @ lucian @ c:irua:103485 |
Serial |
2705 |
| Permanent link to this record |
| |
|
| |
| Author |
Liu, S.; Rao, J.; Sui, X.; Cool, P.; Vansant, E.F.; Van Tendeloo, G.; Cheng, X. |
| Title |
Preparation of hollow silica spheres with different mesostructures |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Journal of non-crystalline solids |
Abbreviated Journal |
J Non-Cryst Solids |
| Volume |
354 |
Issue |
10/11 |
Pages |
826-830 |
| Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) |
| Abstract |
Hollow silica spheres were quickly synthesized by an octylamine (OA) templating method using tetraethyl orthosilicate (TEOS) as the silica source. N2-sorption results indicate that the hollow spheres have high surface areas and pore volumes. XRD and TEM measurements reveal that the structure of the hollow spheres depends on the amount of TEOS used in the synthesis. When low amount of TEOS is added, the template-containing precursor spheres depict an XRD pattern with two peaks, which can be indexed to a lamellar phase. After the removal of the template, the obtained hollow spheres show no diffraction peaks in the XRD pattern, suggesting that the nanopores in the silica shells are disordered. If increasing the amount of TEOS, either the uncalcined or the calcined sample gives an XRD pattern with a single diffraction peak. The mesostructure of these hollow silica spheres is typically as HMS materials. TGA analyses suggest that the interaction between the silica species and surfactant is stronger in the latter case. |
| 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 |
|
| Language |
|
Wos |
000253216700003 |
Publication Date |
2007-09-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3093; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.124 |
Times cited |
26 |
Open Access |
|
| Notes |
Gao |
Approved |
Most recent IF: 2.124; 2008 IF: 1.449 |
| Call Number |
UA @ lucian @ c:irua:72018 |
Serial |
2703 |
| Permanent link to this record |
| |
|
| |
| Author |
Vos, L.; Van Grieken, R. |
| Title |
Preparation of conducting electrodes from biological samples for multi-element trace analysis by spark-source mass spectrometry or emission spectrometry |
Type |
A1 Journal article |
| Year |
1984 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
| Volume |
164 |
Issue |
|
Pages |
83-90 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Four decomposition procedures frequently used for biological material (dry ashing, open wet digestion, wet digestion in a teflon bomb and low-temperature ashing) are optimized for the conversion of biological samples to conducting electrodes suitable for multi-element trace determinations by spark-source mass spectrometry or emission spectrometry. The optimized procedures are evaluated with respect to contamination, retention and preconcentration of the trace elements, homogeneity of the electrodes and precision of the final results. Both dry-ashing methods are prone to losses by volatilization; simple dry ashing suffers from contamination problems during electrode preparation. Wet digestion gives better precision; digestion with nitric/sulfuric acids in an open flask is the method of choice for most elements being simpler and giving lower blanks than the bomb method. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
A1984ABC2700007 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:116443 |
Serial |
8411 |
| Permanent link to this record |
| |
|
| |
| Author |
Du, G.; Van Tendeloo, G. |
| Title |
Preparation and structure analysis of Gd(OH)3 nanorods |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
16 |
Issue |
4 |
Pages |
595-597 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000228949300052 |
Publication Date |
2005-03-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
28 |
Open Access |
|
| Notes |
Iap V-1 |
Approved |
Most recent IF: 3.44; 2005 IF: 2.993 |
| Call Number |
UA @ lucian @ c:irua:59057 |
Serial |
2700 |
| Permanent link to this record |
| |
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| |
| Author |
Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S. |
| Title |
Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
| Volume |
122 |
Issue |
2/3 |
Pages |
623-629 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
000278637900054 |
Publication Date |
2010-04-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0254-0584; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.084 |
Times cited |
15 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.084; 2010 IF: 2.356 |
| Call Number |
UA @ lucian @ c:irua:83099 |
Serial |
2699 |
| Permanent link to this record |
| |
|
| |
| Author |
Tikhomirov, V.K.; Rodriguez, V.D.; Kutznetsov, D.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. |
| Title |
Preparation and luminescence of bulk oxyfluoride glasses doped with Ag nanoclusters |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
| Volume |
18 |
Issue |
21 |
Pages |
22032-22040 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Bulk oxyfluoride glasses doped with Ag nanoclusters have been prepared using the melt quenching technique. When pumped in the absorption band of Ag nanoclusters between 300 to 500 nm, these glasses emit a very broad luminescence band covering all the visible range with a weak tail extending into the near infrared. The maximum of the luminescence band and its color shifts to the blue with a shortening of the excitation wavelength and an increasing ratio of oxide to fluoride components, resulting in white color luminescence at a particular ratio of oxide to fluoride; with a quantum yield above 20%. |
| 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 |
|
Wos |
000283686500057 |
Publication Date |
2010-10-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1094-4087; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.307 |
Times cited |
74 |
Open Access |
|
| Notes |
Methusalem |
Approved |
Most recent IF: 3.307; 2010 IF: 3.753 |
| Call Number |
UA @ lucian @ c:irua:85802 |
Serial |
2698 |
| Permanent link to this record |
| |
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| |
| Author |
Tancret, F.; Monot, I.; Laffez, P.; Van Tendeloo, G.; Desgardin, G. |
| Title |
Preparation and characterization of melt textured NdBa2Cu3O7- bulk superconducting ceramics |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
European physical journal: applied physics |
Abbreviated Journal |
Eur Phys J-Appl Phys |
| Volume |
1 |
Issue |
|
Pages |
185-190 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000073229800009 |
Publication Date |
2003-06-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1286-0042;1286-0050; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.684 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.684; 1998 IF: NA |
| Call Number |
UA @ lucian @ c:irua:25690 |
Serial |
2697 |
| Permanent link to this record |
| |
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| |
| Author |
Subramanian, V.; Van 't dack, L.; Van Grieken, R. |
| Title |
Preliminary studies on the geochemistry of the Cauvery river basin |
Type |
A1 Journal article |
| Year |
1985 |
Publication |
Proceedings of the Indian Academy of Sciences: earth and planetary sciences |
Abbreviated Journal |
|
| Volume |
94 |
Issue |
2 |
Pages |
99-110 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Samples of water and sediments were collected over a three year period from the entire region of Cauvery river basin excluding the estuary. On the basis of our observations, we have calculated the average composition of the Cauvery river at several locations from the catchment to the river mouth, the downstream profile of sediment load, annual erosion rates, solute and sediment fluxes and have predicted on long term changes. The sediment chemistry was determined by x-ray fluorescence (xrf) technique, and calculated mean compositions of the Cauvery and its tributary bed and the suspended sediment were compared to those of world average river sediments. Downstream profiles of some of the elements appear to be controlled by size and mineralogical characteristics besides local factors specific to the location of the samples. Interelemental relationships indicated good correlation among the transition elements indicating their co-genetic behaviour within the drainage basin. |
| 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 |
A1985ARL3300004 |
Publication Date |
2010-08-25 |
| 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 |
0253-4126 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:111503 |
Serial |
8410 |
| Permanent link to this record |
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| |
| Author |
Tsuji, K.; Sato, T.; Wagatsuma, K.; Claes, M.; Van Grieken, R. |
| Title |
Preliminary experiment of total reflection x-ray fluorescence using two glancing x-ray beams excitation |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
The review of scientific instruments |
Abbreviated Journal |
|
| Volume |
70 |
Issue |
3 |
Pages |
1621-1623 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
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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 |
000079012100006 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0034-6748 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:23184 |
Serial |
8407 |
| Permanent link to this record |
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| |
| Author |
Potgieter-Vermaak, S.S.; Van Grieken, R. |
| Title |
Preliminary evaluation of micro-Raman spectrometry for the characterization of individual aerosol particles |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Applied spectroscopy |
Abbreviated Journal |
|
| Volume |
60 |
Issue |
1 |
Pages |
39-47 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000234851900007 |
Publication Date |
2006-01-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-7028 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:56074 |
Serial |
8406 |
| Permanent link to this record |
| |
|
| |
| Author |
Segura, P.C.; De Meur, Q.; Alloul, A.; Tanghe, A.; Onderwater, R.; Vlaeminck, S.E.; Vande Wouwer, A.; Wattiez, R.; Dewasme, L.; Leroy, B. |
| Title |
Preferential photoassimilation of volatile fatty acids by purple non-sulfur bacteria : experimental kinetics and dynamic modelling |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Biochemical engineering journal |
Abbreviated Journal |
Biochem Eng J |
| Volume |
186 |
Issue |
|
Pages |
108547-10 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Purple non-sulfur bacteria (PNSB) are known for their metabolic versatility and thrive as anoxygenic photoheterotrophs. In environmental engineering and resource recovery, cells would grow on mixtures of volatile fatty acids (VFA) generated by anaerobic fermentation of waste streams. In this study, we aim to better understand the behavior of Rhodospirillum rubrum, a model PNSB species, grown using multiple VFA as carbon sources. We highlighted that assimilation of individual VFA follows a sequential pattern. Based on observations in other PNSB, this seems to be specific to isocitrate lyase-lacking organisms. We hypothesized that the inhibition phenomenon could be due to the regulation of the metabolic fluxes in the substrate cycle between acetoacetyl-CoA and crotonyl-CoA. Developed macroscopic dynamic models showed a good predictive capability for substrate competition for every VFA mixture containing acetate, propionate, and/or butyrate. These novel insights provide valuable input for better design and operation of PNSB-based waste treatment solutions. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000891992900005 |
Publication Date |
2022-07-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1369-703x; 1873-295x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.9 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.9 |
| Call Number |
UA @ admin @ c:irua:192741 |
Serial |
7332 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Hieu, N.N.; Ghergherehchi, M.; Feghhi, S.A.H.; Gogova, D. |
| Title |
Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
54 |
Issue |
39 |
Pages |
395103 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000674464700001 |
Publication Date |
2021-07-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.588 |
| Call Number |
UA @ admin @ c:irua:179863 |
Serial |
7014 |
| Permanent link to this record |
| |
|
| |
| Author |
van Langevelde, F.; Janssens, K.H.; Adams, F.C.; Vis, R.D. |
| Title |
Prediction of the optical characteristics and analytical qualities of an X-ray fluorescence microprobe at the European Synchrotron Radiation Facility (Grenoble) |
Type |
A1 Journal article |
| Year |
1992 |
Publication |
Nuclear instruments and methods in physics research : A: accelerators, spectrometers, detectors and associated equipment |
Abbreviated Journal |
|
| Volume |
317 |
Issue |
|
Pages |
383-393 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
A1992JF39700044 |
Publication Date |
2002-11-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0168-9002 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:2810 |
Serial |
5783 |
| Permanent link to this record |
| |
|
| |
| Author |
Cui, Z.; Jafarzadeh, A.; Hao, Y.; Liu, L.; Li, L.; Zheng, Y. |
| Title |
Prediction of the decomposition tendency of C5F10O on discharged metal surfaces |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
IEEE transactions on dielectrics and electrical insulation |
Abbreviated Journal |
|
| Volume |
30 |
Issue |
3 |
Pages |
1365-1367 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this letter, a dipole sheet method is proposed to theoretically study the adsorption and decomposition of C5F10O over-discharged Cu (111) and Al (111) surfaces. A synergistic effect of external electric fields and surface excess charges shows up for jointly promoting the adsorption of C5F10O, accompanied by the enhancement of C-F bond elongation and charge transfer process. The decomposition of C5F10O is facilitated in the discharged region and the initial decomposition is found most likely to occur via the cleavage of the C-F single bond. The results indicate that the decomposition of C5F10O over the metal electrode surfaces is much accelerated when discharge faults occur and free F atoms could be generated from C5F10O before its carbon chain breakage. These findings help to elucidate the underlying decomposition tendency of C5F10O in discharged systems and provide a practical method for evaluating and designing new insulation gases. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001000675800054 |
Publication Date |
2023-03-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1070-9878 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.1; 2023 IF: 2.115 |
| Call Number |
UA @ admin @ c:irua:197319 |
Serial |
9076 |
| Permanent link to this record |
| |
|
| |
| Author |
Abedi, S.; Sisakht, E.T.; Hashemifar, S.J.; Cherati, N.G.; Sarsari, I.A.; Peeters, F.M. |
| Title |
Prediction of novel two-dimensional Dirac nodal line semimetals in Al₂B₂ and AlB₄ monolayers |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
14 |
Issue |
31 |
Pages |
11270-11283 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in novel nanoscale devices. Despite the growing number of studies on 2D topological nodal lines (NLs), candidates with significant topological features that combine nontrivial topological semimetal phase with superconductivity are still rare. Herein, we predict Al2B2 and AlB4 monolayers as new 2D nonmagnetic Dirac nodal line semimetals with several novel features. Our extensive electronic structure calculations combined with analytical studies reveal that, in addition to multiple Dirac points, these 2D configurations host various highly dispersed NLs around the Fermi level, all of which are semimetal states protected by time-reversal and in-plane mirror symmetries. The most intriguing NL in Al2B2 encloses the K point and crosses the Fermi level, showing a considerable dispersion and thus providing a fresh playground to explore exotic properties in dispersive Dirac nodal lines. More strikingly, for the AlB4 monolayer, we provide the first evidence for a set of 2D nonmagnetic open type-II NLs coexisting with superconductivity at a rather high transition temperature. The coexistence of superconductivity and nontrivial band topology in AlB4 not only makes it a promising material to exhibit novel topological superconducting phases, but also a rather large energy dispersion of type-II nodal lines in this configuration may offer a platform for the realization of novel topological features in the 2D limit. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000831003900001 |
Publication Date |
2022-06-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.7 |
Times cited |
5 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.7 |
| Call Number |
UA @ admin @ c:irua:189505 |
Serial |
7196 |
| Permanent link to this record |
| |
|
| |
| Author |
Yagmurcukardes, M.; Mogulkoc, Y.; Akgenc, B.; Mogulkoc, A.; Peeters, F.M. |
| Title |
Prediction of monoclinic single-layer Janus Ga₂ Te X (X = S and Se) : strong in-plane anisotropy |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
104 |
Issue |
4 |
Pages |
045425 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
By using density functional theory (DFT) based first-principles calculations, electronic, vibrational, piezo-electric, and optical properties of monoclinic Janus single-layer Ga2TeX (X = S or Se) are investigated. The dynamical, mechanical, and thermal stability of the proposed Janus single layers are verified by means of phonon bands, stiffness tensor, and quantum molecular dynamics simulations. The calculated vibrational spectrum reveals the either pure or coupled optical phonon branches arising from Ga-Te and Ga-X atoms. In addition to the in-plane anisotropy, single-layer Janus Ga2TeX exhibits additional out-of-plane asymmetry, which leads to important consequences for its electronic and optical properties. Electronic band dispersions indicate the direct band-gap semiconducting nature of the constructed Janus structures with energy band gaps falling into visible spectrum. Moreover, while orientation-dependent linear-elastic properties of Janus single layers indicate their strong anisotropy, the calculated in-plane stiffness values reveal the ultrasoft nature of the structures. In addition, predicted piezoelectric coefficients show that while there is a strong in-plane anisotropy between piezoelectric constants along armchair (AC) and zigzag (ZZ) directions, there exists a tiny polarization along the out-of-plane direction as a result of the formation of Janus structure. The optical response to electromagnetic radiation has been also analyzed through density functional theory by considering the independent-particle approximation. Finally, the optical spectra of Janus Ga2TeX structures is investigated and it showed a shift from the ultraviolet region to the visible region. The fact that the spectrum is between these regions will allow it to be used in solar energy and many nanoelectronics applications. The predicted monoclinic single-layer Janus Ga2TeX are relevant for promising applications in optoelectronics, optical dichroism, and anisotropic nanoelasticity. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000678811100007 |
Publication Date |
2021-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:180404 |
Serial |
7013 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, F.; Wang, C.; Chaves, A.; Song, C.; Zhang, G.; Huang, S.; Lei, Y.; Xing, Q.; Mu, L.; Xie, Y.; Yan, H. |
| Title |
Prediction of hyperbolic exciton-polaritons in monolayer black phosphorus |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nature Communications |
Abbreviated Journal |
Nat Commun |
| Volume |
12 |
Issue |
1 |
Pages |
5628 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Hyperbolic polaritons exhibit large photonic density of states and can be collimated in certain propagation directions. The majority of hyperbolic polaritons are sustained in man-made metamaterials. However, natural-occurring hyperbolic materials also exist. Particularly, natural in-plane hyperbolic polaritons in layered materials have been demonstrated in MoO3 and WTe2, which are based on phonon and plasmon resonances respectively. Here, by determining the anisotropic optical conductivity (dielectric function) through optical spectroscopy, we predict that monolayer black phosphorus naturally hosts hyperbolic exciton-polaritons due to the pronounced in-plane anisotropy and strong exciton resonances. We simultaneously observe a strong and sharp ground state exciton peak and weaker excited states in high quality monolayer samples in the reflection spectrum, which enables us to determine the exciton binding energy of similar to 452 meV. Our work provides another appealing platform for the in-plane natural hyperbolic polaritons, which is based on excitons rather than phonons or plasmons. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000698984500003 |
Publication Date |
2021-10-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:191688 |
Serial |
8404 |
| Permanent link to this record |
| |
|
| |
| Author |
Verbruggen, S.W.; Keulemans, M.; Martens, J.A.; Lenaerts, S. |
| Title |
Predicting the surface plasmon resonance wavelength of gold-silver alloy nanoparticles |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
117 |
Issue |
37 |
Pages |
19142-19145 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Gold-silver alloy nanoparticles display surface plasmon resonance (SPR) over a broad range of the UV-vis spectrum. We propose a model to predict the SPR wavelength of gold-silver alloy colloids based on the combined effect of alloy composition and particle size. The SPR wavelength is derived from extinction spectra simulated using available experimental dielectric constant data and accounts for particle size by applying Mie theory. Comparison of calculated values with experimental data evidences the accuracy of the model. The new SPR wavelength estimation tool will be of particular interest for developing dedicated bimetallic plasmonic nanostructures. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000330162600042 |
Publication Date |
2013-08-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
51 |
Open Access |
|
| Notes |
; S.W.V. acknowledges the Research Foundation of Flanders (FWO) for financial support. JAM. acknowledges the Flemish government for long-term structural funding (Methusalem). ; |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
| Call Number |
UA @ admin @ c:irua:114837 |
Serial |
5985 |
| Permanent link to this record |
| |
|
| |
| Author |
Rezaei, M.; Saey, T.; Seuntjens, P.; Joris, I.; Boenne, W.; Van Meirvenne, M.; Cornelis, W. |
| Title |
Predicting saturated hydraulic conductivity in a sandy grassland using proximally sensed apparent electrical conductivity |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Journal of applied geophysics |
Abbreviated Journal |
|
| Volume |
126 |
Issue |
|
Pages |
35-41 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Finding a correspondence between soil hydraulic properties, such as saturated hydraulic conductivity (Ks) and apparent electrical conductivity (ECa) as an easily measurable parameter, may be a way forward to estimate the spatial distribution of hydraulic properties at the field scale. In this study, the spatial distributions of Ks, of soil ECa measured by a DUALEM-21S sensor and of soil physical properties were investigated in a sandy grassland. To predict field scale Ks, the statistical relationship between co-located soil Ks, and EMI-ECa was evaluated. Results demonstrated the large spatial variability of all studied properties with Ks being the most variable one (CV = 86.21%) followed by ECa (CV >= 53.77%). A significant negative correlation was found between In-transformed Ks and ECa (r = 0.83; P <= 0.01) at two depths of exploration (0-50 and 0-100 cm). This site specific relation between In Ks and ECa was used to predict saturated hydraulic conductivity over 0-50 cm depth for the whole field. The empirical relation was validated using an independent dataset of measured Ks. The statistical results demonstrate the robustness of this empirical relation with mean estimation error MEE = 0.46 (cm h(-1)), root-mean-square estimation errors RMSEE = 0.74 (cm h(-1)), coefficient of determination r(2) = 0.67 and coefficient of model efficiency Ce = 0.64. The relationship was then used to produce a detailed map of Ks for the whole field. The result will allow model predictions of spatially distributed water content in view of irrigation management. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000371361200004 |
Publication Date |
2016-01-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0926-9851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:132349 |
Serial |
8403 |
| Permanent link to this record |
| |
|
| |
| Author |
Carniato, L.; Schoups, G.; Seuntjens, P.; Van Nooten, T.; Simons, Q.; Bastiaens, L. |
| Title |
Predicting longevity of iron permeable reactive barriers using multiple iron deactivation models |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of contaminant hydrology |
Abbreviated Journal |
|
| Volume |
142 |
Issue |
|
Pages |
93-108 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
In this study we investigate the model uncertainties involved in predicting long-term permeable reactive barrier (PRB) remediation efficiency based on a lab-scale column experiment under accelerated flow conditions. A PRB consisting of 20% iron and 80% sand was simulated in a laboratory-scale column and contaminated groundwater was pumped into the column for approximately 1 year at an average groundwater velocity of 3.7E – 1 m d(-1). Dissolved contaminants (PCE. TCE, cis-DCE, trans-DCE and VC) and inorganic (Ca2+, Fe2+, TIC and pH) concentrations were measured in groundwater sampled at different times and at eight different distances along the column. These measurements were used to calibrate a multi-component reactive transport model, which subsequently provided predictions of long-term PRB efficiency under reduced flow conditions (i.e., groundwater velocity of 1.4E -3 m d(-1)), representative of a field site of interest in this study. Iron reactive surface reduction due to mineral precipitation and iron dissolution was simulated using four different models. All models were able to reasonably well reproduce the column experiment measurements, whereas the extrapolated long-term efficiency under different flow rates was significantly different between the different models. These results highlight significant model uncertainties associated with extrapolating long-term PRB performance based on lab-scale column experiments. These uncertainties should be accounted for at the PRB design phase, and may be reduced by independent experiments and field observations aimed at a better understanding of reactive surface deactivation mechanisms in iron PRBs. (C) 2012 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000312753000009 |
Publication Date |
2012-09-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0169-7722 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:106010 |
Serial |
8402 |
| Permanent link to this record |
| |
|
| |
| Author |
Engelmann, Y.; Mehta, P.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. |
| Title |
Predicted Influence of Plasma Activation on Nonoxidative Coupling of Methane on Transition Metal Catalysts |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Acs Sustainable Chemistry & Engineering |
Abbreviated Journal |
Acs Sustain Chem Eng |
| Volume |
8 |
Issue |
15 |
Pages |
6043-6054 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) |
| Abstract |
The combination of catalysis and nonthermal plasma holds promise for enabling difficult chemical conversions. The possible synergy between both depends strongly on the nature of the reactive plasma species and the catalyst material. In this paper, we show how vibrationally excited species and plasma-generated radicals interact with transition metal catalysts and how changing the catalyst material can improve the conversion rates and product selectivity. We developed a microkinetic model to investigate the impact of vibrational excitations and plasma-generated radicals on the nonoxidative coupling of methane over transition metal surfaces. We predict a significant increase in ethylene formation for vibrationally excited methane. Plasma-generated radicals have a stronger impact on the turnover frequencies with high selectivity toward ethylene on noble catalysts and mixed selectivity on non-noble catalysts. In general, we show how the optimal catalyst material depends on the desired products as well as the plasma conditions. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000526884000025 |
Publication Date |
2020-04-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2168-0485 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.4 |
Times cited |
|
Open Access |
|
| Notes |
Herculesstichting; University of Notre Dame; Universiteit Antwerpen; Division of Engineering Education and Centers, EEC-1647722 ; We would like to thank Tom Butterworth for his work on methane vibrational distribution functions (VDF) and for sharing his thoughts and experiences on this matter, specifically regarding the VDF of the degenerate modes of methane. We ACS Sustainable Chemistry & Engineering pubs.acs.org/journal/ascecg Research Article https://dx.doi.org/10.1021/acssuschemeng.0c00906 ACS Sustainable Chem. Eng. 2020, 8, 6043−6054 6052 also acknowledge financial support from the DOC-PRO3 and the TOP-BOF projects of the University of Antwerp. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Support for W.F.S. was provided by the National Science Foundation under cooperative agreement no. EEC-1647722, an Engineering Research Center for the Innovative and Strategic Transformation of Alkane Resources (CISTAR). P.M. acknowledges support through the Eilers Graduate Fellowship of the University of Notre Dame. |
Approved |
Most recent IF: 8.4; 2020 IF: 5.951 |
| Call Number |
PLASMANT @ plasmant @c:irua:169228 |
Serial |
6366 |
| Permanent link to this record |
| |
|
| |
| Author |
Marimuthu, P.; Razzokov, J.; Singaravelu, K.; Bogaerts, A. |
| Title |
Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Biomolecules |
Abbreviated Journal |
Biomolecules |
| Volume |
10 |
Issue |
8 |
Pages |
1114 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Mcl1 is a primary member of the Bcl–2 family—anti–apoptotic proteins (AAP)—that is overexpressed in several cancer pathologies. The apoptotic regulation is mediated through the binding of pro-apoptotic peptides (PAPs) (e.g., Bak and Bid) at the canonical hydrophobic binding groove (CBG) of Mcl1. Although all PAPs form amphipathic α-helices, their amino acid sequences vary to different degree. This sequence variation exhibits a central role in the binding partner selectivity towards different AAPs. Thus, constructing a novel peptide or small organic molecule with the ability to mimic the natural regulatory process of PAP is essential to inhibit various AAPs. Previously reported experimental binding free energies (BFEs) were utilized in the current investigation aimed to understand the mechanistic basis of different PAPs targeted to mMcl1. Molecular dynamics (MD) simulations used to estimate BFEs between mMcl1—PAP complexes using Molecular Mechanics-Generalized Born Solvent Accessible (MMGBSA) approach with multiple parameters. Predicted BFE values showed an excellent agreement with the experiment (R2 = 0.92). The van–der Waals (ΔGvdw) and electrostatic (ΔGele) energy terms found to be the main energy components that drive heterodimerization of mMcl1—PAP complexes. Finally, the dynamic network analysis predicted the allosteric signal transmission pathway involves more favorable energy contributing residues. In total, the results obtained from the current investigation may provide valuable insights for the synthesis of a novel peptide or small organic inhibitor targeting Mcl1. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000578895600001 |
Publication Date |
2020-07-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2218-273X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
P.M. gratefully acknowledges the use of the bioinformatics infrastructure facility supported by Biocenter Finland and the CSC-IT Center for Science (Project: 2000461) for the computational facility; Jukka Lehtonen for the IT support; Mark Johnson (SBL) Åbo Akademi University for providing the lab support and Outi Salo-Ahen (Pharmacy) Åbo Akademi University and Olli T. Pentikäinen (Institute of Biomedicine) University of Turku, for their valuable support and discussion. |
Approved |
Most recent IF: NA |
| Call Number |
PLASMANT @ plasmant @c:irua:170486 |
Serial |
6396 |
| Permanent link to this record |
| |
|
| |
| Author |
Clem, J.R.; Mawatari, Y.; Berdiyorov, G.R.; Peeters, F.M. |
| Title |
Predicted field-dependent increase of critical currents in asymmetric superconducting nanocircuits |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
85 |
Issue |
14 |
Pages |
144511-144511,16 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The critical current of a thin superconducting strip of width W much larger than the Ginzburg-Landau coherence length xi but much smaller than the Pearl length Lambda = 2 lambda(2)/d is maximized when the strip is straight with defect-free edges. When a perpendicular magnetic field is applied to a long straight strip, the critical current initially decreases linearly with H but then decreases more slowly with H when vortices or antivortices are forced into the strip. However, in a superconducting strip containing sharp 90 degrees or 180 degrees turns, the zero-field critical current at H = 0 is reduced because vortices or antivortices are preferentially nucleated at the inner corners of the turns, where current crowding occurs. Using both analytic London-model calculations and time-dependent Ginzburg-Landau simulations, we predict that in such asymmetric strips the resulting critical current can be increased by applying a perpendicular magnetic field that induces a current-density contribution opposing the applied current density at the inner corners. This effect should apply to all turns that bend in the same direction. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000302611100004 |
Publication Date |
2012-04-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
| Notes |
; This research, supported in part by the US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, was performed in part at the Ames Laboratory, which is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work also was supported in part by the Flemish Science Foundation (FWO-Vlaanderen) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:98263 |
Serial |
2695 |
| Permanent link to this record |
| |
|
| |
| Author |
Somsen, C.; Wassermann, E.F.; Kästner, J.; Schryvers, D. |
| Title |
Precursor phenomena in a quenched and aged Ni52Ti48 shape memory alloy |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Journal de physique: 4
T2 – 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND |
Abbreviated Journal |
J Phys Iv |
| Volume |
112 |
Issue |
Part 2 |
Pages |
777-780 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We measured the electrical resistivity R(T) and specific heat C-p(T) between room temperature (RT) and 4.2 K as well as the microstructure by transmission electron microscopy (TEM) of a Ni-52 Ti-48 SMA quenched from 1000degreesC (B2-Phase range) to RT and then annealed for 1h at T=380degreesC, 550degreesC and 650degreesC. In the “as quenched” and the “650degreesC annealed” state no martensitic transformations (MT's) occur. The diffraction patterns show faint reflections originating from coherent Ni4Ti3 precipitates in an early state of formation. Additional reflections of the type 1/2 <110>, 1/2 <111> and 1/3 <110> result from various lattice displacement waves, which are precursors of the MT's to the B19' and R-phase, respectively. Indeed, high resolution TEM micrographs of the [001] zone of the “as quenched” sample reveal transverse 1/2 <110> <110> lattice displacement waves, precursors of the B19' martensite. The coherent Ni4Ti3 precipitates, homogeneously distributed on a small length scale, binder the MT's in the “as quenched” and the “650degreesC annealed” state, and thus only the precursors appear. When annealed at T=380degreesC, however, coherent Ni4Ti3 precipitates with a length of 10nm are clearly visible in TEM. These precipitates trigger the NIT from the B2 to the R-phase on cooling, as evidenced also by anomalies in R(T) and C-p(T). Annealing at T-550degreesC leads to the well known two step MT's from the B2 to the R-phase and then into the B19'-phase. These martensitic transitions are clearly seen as additional peaks in the specific heat and anomalies in the resistance, while the “as quenched” and 650degreesC annealed samples show weak features in R(T) and C-p(T). |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
Les Ulis |
Editor |
|
| Language |
|
Wos |
000186503400036 |
Publication Date |
2008-08-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:102791 |
Serial |
2694 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Grieken, R. |
| Title |
Preconcentration methods for the analysis of water by X-ray spectrometric techniques |
Type |
A1 Journal article |
| Year |
1982 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
| Volume |
143 |
Issue |
|
Pages |
3-34 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
All published procedures for multi-element preconcentration of trace elements, prior to x-ray fluorescence analysis of water, are reviewed and critically evaluated. Most preconcentration methods applied to the determination of single elements in water are also listed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
A1982PT27300002 |
Publication Date |
2002-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:116441 |
Serial |
8401 |
| Permanent link to this record |
| |
|
| |
| Author |
Marguí, E.; Van Grieken, R.; Fontàs, C.; Hidalgo, M.; Queralt, I. |
| Title |
Preconcentration methods for the analysis of liquid samples by X-ray fluorescence techniques |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Applied spectroscopy reviews |
Abbreviated Journal |
|
| Volume |
45 |
Issue |
3 |
Pages |
179-205 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
This article gives an overview of the state-of-the-art of multi-element and single-element preconcentration procedures prior to X-ray fluorescence (XRF) analysis of liquid samples. Many of these preconcentration methods were developed long ago and the purpose of this review is to present some new efficient variations of these methods and new techniques extending the possibilities of XRF for liquid solutions analysis. In addition, trends and future perspectives in this domain are also commented on and discussed in the last section of the review. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000277705800002 |
Publication Date |
2010-01-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0066-5541 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:82557 |
Serial |
8400 |
| Permanent link to this record |
| |
|
| |
| Author |
Eltayeb, M.A.H.; Van Grieken, R.E. |
| Title |
Preconcentration and XRF-determination of heavy metals in hair from Sudanese populations |
Type |
A1 Journal article |
| Year |
1989 |
Publication |
Journal of radioanalytical and nuclear chemistry |
Abbreviated Journal |
|
| Volume |
131 |
Issue |
2 |
Pages |
331-342 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Energy-dispersive X-ray fluorescence analysis was applied for the analysis of hair. The hair samples were digested in a mixture of nitric and perchloric acid and the heavy metals were precipitated with ammonium pyrrolidine dithiocarbamate. The accuracy, precision and recovery of the method for the elements Fe, Ni, Cu, Zn and Pb were evaluated through the analysis of a standard hair sample. The procedure was applied to the analysis of hair from an occupationally exposed group of Sudanese workers and a control group. The hair of the exposed group showed a range of 80550 ppm Fe, 612 ppm Cu, 57190 ppm Zn and 703700 ppm Pb, while that of the control group had a range of 60310 ppm Fe, 722 ppm Cu, 89170 ppm Zn and 317 ppm Pb. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
A1989AL77700009 |
Publication Date |
2005-08-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0236-5731; 1588-2780 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:116816 |
Serial |
8399 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, A.; Van Aert, S.; Goos, P.; van Dyck, D. |
| Title |
Precision of three-dimensional atomic scale measurements from HRTEM images : what are the limits? |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
114 |
Issue |
|
Pages |
20-30 |
| Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
In this paper, we investigate to what extent high resolution transmission electron microscopy images can be used to measure the mass, in terms of thickness, and surface profile, corresponding to the defocus offset, of an object at the atomic scale. Therefore, we derive an expression for the statistical precision with which these object parameters can be estimated in a quantitative analysis. Evaluating this expression as a function of the microscope settings allows us to derive the optimal microscope design. Acquiring three-dimensional structure information in terms of thickness turns out to be much more difficult than obtaining two-dimensional information on the projected atom column positions. The attainable precision is found to be more strongly affected by processes influencing the image contrast, such as phonon scattering, than by the specific choice of microscope settings. For a realistic incident electron dose, it is expected that atom columns can be distinguished with single atom sensitivity up to a thickness of the order of the extinction distance. A comparable thickness limit is determined to measure surface steps of one atom. An increase of the electron dose shifts the limiting thickness upward due to an increase in the signal-to-noise ratio. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000301954300003 |
Publication Date |
2012-01-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
5 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2012 IF: 2.470 |
| Call Number |
UA @ lucian @ c:irua:94116 |
Serial |
2692 |
| Permanent link to this record |
