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	Author	Van Rompaey, S.; Dachraoui, W.; Turner, S.; Podyacheva, O.Y.; Tan, H.; Verbeeck, J.; Abakumov, A.; Hadermann, J.
	Title	Layered oxygen vacancy ordering in Nb-doped SrCo_1-xFe_xO_3-\delta perovskite			Type	A1 Journal article
	Year	2013	Publication	Zeitschrift für Kristallographie	Abbreviated Journal	Z Krist-Cryst Mater
	Volume	228	Issue	1	Pages	28-34
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure of SrCo0.7Fe0.2Nb0.1O2.72 was determined using a combination of precession electron diffraction (PED), high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and spatially resolved electron energy loss spectroscopy (STEM-EELS). The structure has a tetragonal P4/mmm symmetry with cell parameters a = b = a(p), c = 2a(p) (a(p) being the cell parameter of the perovskite parent structure). Octahedral BO2 layers alternate with the anion-deficient BO1.4 layers, the different B cations are randomly distributed over both layers. The specific feature of the SrCo0.7Fe0.2NB0.1O2.72 microstructure is a presence of extensive nanoscale twinning resulting in domains with alignment of the tetragonal c-axis along all three cubic direction of the perovskite subcell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	München	Editor
	Language		Wos	000315475900004	Publication Date	2013-01-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2194-4946;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.179	Times cited	9	Open Access
	Notes	Fwo; Countatoms			Approved	Most recent IF: 3.179; 2013 IF: NA
	Call Number	UA @ lucian @ c:irua:107698UA @ admin @ c:irua:107698			Serial	1808
Permanent link to this record



	Author	Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S.
	Title	Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials			Type	A1 Journal article
	Year	2013	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	222	Issue		Pages	411-418
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319528900046	Publication Date	2013-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 1873-3212	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	43	Open Access
	Notes	; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ;			Approved	Most recent IF: 6.216; 2013 IF: 4.058
	Call Number	UA @ admin @ c:irua:106519			Serial	5979
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	Author	Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
	Title	Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study			Type	A1 Journal article
	Year	2013	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	211	Issue		Pages	131-136
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000320697800020	Publication Date	2013-03-25
	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	27	Open Access
	Notes				Approved	Most recent IF: 4.636; 2013 IF: 3.309
	Call Number	UA @ lucian @ c:irua:108675			Serial	3500
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	Author	Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G.
	Title	Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond			Type	A1 Journal article
	Year	2013	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	210	Issue	10	Pages	1976-1984
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000329299700025	Publication Date	2013-10-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	37	Open Access
	Notes	262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES			Approved	Most recent IF: 1.775; 2013 IF: 1.525
	Call Number	UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821			Serial	41
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	Author	Verbruggen, S.W.; Dirckx, J.J.J.; Martens, J.A.; Lenaerts, S.
	Title	Surface photovoltage measurements : a quick assessment of the photocatalytic activity?			Type	A1 Journal article
	Year	2013	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	209	Issue		Pages	215-220
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Surface photovoltage (SPV) measurements can contribute to a better understanding of electronic properties of photocatalysts under illumination. Direct linking of SPV data to the actual photocatalytic activity remains troublesome. This work aims to discuss SPV measurements from a photocatalytic point of view. By means of several application-based scenarios we illustrate that the trend between SPV and photocatalysis strongly depends on parameters such as the crystal structure, surface modifications, morphology and humidity. This makes the interpretation far from straightforward.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319498800035	Publication Date	2013-01-16
	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	8	Open Access
	Notes	; ;			Approved	Most recent IF: 4.636; 2013 IF: 3.309
	Call Number	UA @ admin @ c:irua:106520			Serial	5995
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	Author	He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G.
	Title	90° Rotation of orbital stripes in bilayer manganite PrCa₂Mn₂O₇ studied by in situ transmission electron microscopy			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	200	Issue		Pages	287-293
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000317158000043	Publication Date	2013-02-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	5	Open Access
	Notes	Countatoms			Approved	Most recent IF: 2.299; 2013 IF: 2.200
	Call Number	UA @ lucian @ c:irua:106183			Serial	20
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	Author	Li, M.R.; Retuerto, M.; Bok Go, Y.; Emge, T.J.; Croft, M.; Ignatov, A.; Ramanujachary, K.V.; Dachraoui, W.; Hadermann, J.; Tang, M.B.; Zhao, J.T.; Greenblatt, M.;
	Title	Synthesis, crystal structure, and properties of KSbO₃-type Bi₃Mn_1.9Te_1.1O₁₁			Type	A1 Journal article
	Year	2013	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	197	Issue		Pages	543-549
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Single crystals of Bi3Mn1.9Te1.1O11 were prepared from NaCl+KCl flux. This compound adopts KSbO3-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn0.63Te0.37)2O10 dimers and two identical (Bi1)4(Bi2)2 interpenetrating lattices. The intra-dimer Mn/TeMn/Te distances in Bi3Mn1.9Te1.1O11 are short and are consistent with weak metalmetal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi3(MnIII1.1MnIV0.8)TeVI1.1O11 with 57.7% Mn3+ and 42.3% Mn4+. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi3Mn3O11 (TC=150 K).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000312281000076	Publication Date	2012-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 2.299; 2013 IF: 2.200
	Call Number	UA @ lucian @ c:irua:101779			Serial	3452
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	Author	Gielis, J.; Tavkhelidze, I.; Ricci, P.E.
	Title	About “bulky” links generated by generalized Möbius-Listing bodies GML₂ⁿ			Type	A2 Journal article
	Year	2013	Publication	Journal of mathematical sciences	Abbreviated Journal
	Volume	193	Issue	3	Pages	449-460
	Keywords	A2 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In this paper, we consider the bulky knots and bulky links, which appear after cutting of a Generalized MöbiusListing GMLn2 body (with the radial cross section a convex plane 2-symmetric figure with two vertices) along a different Generalized MöbiusListing surfaces GMLn2 situated in it. The aim of this report is to investigate the number and geometric structure of the independent objects that appear after such a cutting process of GMLn2 bodies. In most cases we are able to count the indices of the resulting mathematical objects according to the known classification for the standard knots and links.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2013-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1072-3374; 1573-8795	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:110953			Serial	7404
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	Author	Akbulut, S.; Van Grieken, R.; Kilic, M.A.; Čevik, U.; Rotondo, G.G.
	Title	Identification of heavy metal origins related to chemical and morphological soil properties using several non-destructive X-ray analytical methods			Type	A1 Journal article
	Year	2013	Publication	Environmental monitoring and assessment	Abbreviated Journal
	Volume	185	Issue	3	Pages	2377-2394
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Soils are complex mixtures of organic, inorganic materials, and metal compounds from anthropogenic sources. In order to identify the pollution sources, their magnitude and development, several X-ray analytical methods were applied in this study. The concentrations of 16 elements were determined in all the soil samples using energy dispersive X-ray fluorescence spectrometry. Soils of unknown origin were observed by scanning electron microscopy equipped with a Si(Li) X-ray detector using Monte Carlo simulation approach. The mineralogical analyses were carried out using X-ray diffraction spectrometry. Due to the correlations between heavy metals and oxide compounds, the samples were analyzed also by electron probe microanalyzer (EPMA) in order to have information about their oxide contents. On the other hand, soil pH and salinity levels were identified owing to their influence between heavy metal and soil-surface chemistry. Moreover, the geoaccumulation index (I geo) enables the assessment of contamination by comparing current and pre-industrial concentrations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314033300029	Publication Date	2012-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1420-2026; 1573-2967	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:106755			Serial	8052
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	Author	Alejo, D.; Morales, M.C.; de la Torre, J.B.; Grau, R.; Bencs, L.; Van Grieken, R.; van Espen, P.; Sosa, D.; Nuñez, V.
	Title	Seasonal trends of atmospheric nitrogen dioxide and sulfur dioxide over North Santa Clara, Cuba			Type	A1 Journal article
	Year	2013	Publication	Environmental monitoring and assessment	Abbreviated Journal
	Volume	185	Issue	7	Pages	6023-6033
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Atmospheric nitrogen dioxide (NO2) and sulfur dioxide (SO2) levels were monitored simultaneously by means of Radiello passive samplers at six sites of Santa Clara city, Cuba, in the cold and the warm seasons in 2010. The dissolved ionic forms of NO2 and SO2 as nitrate and sulfite plus sulfate, respectively, were determined by means of ion chromatography. Analysis of NO2 as nitrite was also performed by UVVis spectrophotometry. For NO2, significant t tests show good agreement between the results of IC and UVVis methods. The NO2 and SO2 concentrations peaked in the cold season, while their minimum levels were experienced in the warm season. The pollutant levels do not exceed the maximum allowable limit of the Cuban Standard 39:1999, i.e., 40 μg/m3 and 50 μg/m3 for NO2 and SO2, respectively. The lowest pollutant concentrations obtained in the warm season can be attributed to an increase in their removal via precipitation (scavenging) while to the decreased traffic density and industrial emission during the summer holidays (e.g., July and August).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319753600053	Publication Date	2012-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1420-2026; 1573-2967	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:107293			Serial	8501
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	Author	Vorobyeva, N.; Rumyantseva, M.; Filatova, D.; Konstantinova, E.; Grishina, D.; Abakumov, A.; Turner, S.; Gaskov, A.
	Title	Nanocrystalline ZnO(Ga) : paramagnetic centers, surface acidity and gas sensor properties			Type	A1 Journal article
	Year	2013	Publication	Sensors and actuators : B : chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	182	Issue		Pages	555-564
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline ZnO and ZnO(Ga) samples with different gallium content were prepared by wet-chemical method. Introduction of gallium leads to the increase of amount of weak acid sites such as surface hydroxyl groups. Gas sensing properties toward 0.22 ppm H2S and NO2 were studied at 100450 °C by DC conductance measurements. The optimal temperature for gas sensing experiments was determined. Sensor signal toward H2S decreases with increase of Ga concentration. The dependence of ZnO(Ga) sensor signal to NO2 on the gallium content has non-monotonous character, which correlates with the change of conductivity of the samples in air and concentration of paramagnetic donor states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000319488800075	Publication Date	2013-03-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited	42	Open Access
	Notes	Hercules; FWO			Approved	Most recent IF: 5.401; 2013 IF: 3.840
	Call Number	UA @ lucian @ c:irua:107346			Serial	2250
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	Author	Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G.
	Title	Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays)			Type	A1 Journal article
	Year	2013	Publication	Environmental Pollution	Abbreviated Journal	Environ Pollut
	Volume	178	Issue		Pages	375-380
	Keywords	A1 Journal article; Economics
	Abstract	Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000320487700050	Publication Date	2013-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0269-7491	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.099	Times cited	30	Open Access
	Notes	; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ;			Approved	Most recent IF: 5.099; 2013 IF: 3.902
	Call Number	UA @ admin @ c:irua:129870			Serial	6247
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	Author	Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M.
	Title	Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons			Type	A1 Journal article
	Year	2013	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	177	Issue		Pages	66-74
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000322293000012	Publication Date	2013-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	25	Open Access
	Notes	262348 ESMI; COST Action MP1103			Approved	Most recent IF: 3.615; 2013 IF: 3.209
	Call Number	UA @ lucian @ c:irua:109758			Serial	1532
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	Author	Rather, J.A.; De Wael, K.
	Title	Fullerene-C₆₀ sensor for ultra-high sensitive detection of bisphenol-A and its treatment by green technology			Type	A1 Journal article
	Year	2013	Publication	Sensors and actuators : B : chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	176	Issue		Pages	110-117
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Endocrine disruptors (EDCs) are environmental pollutants that, once incorporated into an organism, affect the hormonal balance of humans and various species. Its presence in environment is of great importance in water quality related questions. The proposed method describes the development of an accurate, sensitive and selective sensor for the detection of bisphenol-A (BPA) and its treatment by green technology. A fullerene (C60) fabricated electrochemical sensor was developed for the ultrasensitive detection of BPA. The homemade sensor was characterized by scanning electron microscopy, electrochemical impedance spectroscopy and chronocoulometry. The influence of measuring parameters such as pH and C60 loading on the analytical performance of the sensor was evaluated. Various kinetic parameters such as electron transfer number (n); charge transfer coefficient (α); electrode surface area (A) and diffusion coefficient (D) were also calculated. Under the optimal conditions, the oxidation peak current was linear over the concentration range of 74 nM to 0.23 μM with the detection limit (LOD) of 3.7 nM. The fabricated sensor was successfully applied to the determination of BPA in wastewater samples and it has promising analytical applications for the direct determination of BPA at trace level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319867500017	Publication Date	2012-09-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited	79	Open Access
	Notes	; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ;			Approved	Most recent IF: 5.401; 2013 IF: 3.840
	Call Number	UA @ admin @ c:irua:101055			Serial	5630
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	Author	Masir, M.R.; Moldovan, D.; Peeters, F.M.
	Title	Pseudo magnetic field in strained graphene : revisited			Type	A1 Journal article
	Year	2013	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	175	Issue		Pages	76-82
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000329538200010	Publication Date	2013-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	57	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government.			Approved	Most recent IF: 1.554; 2013 IF: 1.698
	Call Number	UA @ lucian @ c:irua:114805			Serial	2737
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	Author	Dantas, D.S.; Chaves, A.; Farias, G.A.; Ramos, A.C.A.; Peeters, F.M.
	Title	Low-dimensional confining structures on the surface of helium films suspended on designed cavities			Type	A1 Journal article
	Year	2013	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	173	Issue	3-4	Pages	207-226
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the formation of quantum confined structures on the surface of a liquid helium film suspended on a nanostructured substrate. We show theoretically that, by nanostructuring the substrate, it is possible to change the geometry of the liquid helium surface, opening the possibility of designing and controlling the formation of valleys with different shapes. By applying an external electric field perpendicular to the substrate plane, surface electrons can be trapped into these valleys, as in a quantum dot. We investigate how the external parameters, such as the electric field strength and the height of the liquid helium bath, can be tuned to control the energy spectrum of the trapped surface electrons.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000324820300008	Publication Date	2013-08-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;1573-7357;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	1	Open Access
	Notes	; This work has received financial support from the Brazilian National Research Council (CNPq), Fundacao Cearense de Apoio ao Desenvolvimento Cientifico e Tecnologico (Funcap), CAPES and Pronex/CNPq/Funcap. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the bilateral project between CNPq and FWO-Vl. ;			Approved	Most recent IF: 1.3; 2013 IF: 1.036
	Call Number	UA @ lucian @ c:irua:111140			Serial	1845
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	Author	Arsoski, V.; Tadic, M.; Peeters, F.M.
	Title	Electric field tuning of the optical excitonic Aharonov-Bohm effect in nanodots grown by droplet epitaxy			Type	A1 Journal article
	Year	2013	Publication	Physica scripta	Abbreviated Journal	Phys Scripta
	Volume	T157	Issue		Pages	014002
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Neutral excitons in axially symmetric GaAs nanodots embedded in an (Al, Ga) As matrix, which are formed by the droplet epitaxy technique, are investigated theoretically. An electric field perpendicular to the nanodot base results in both a vertical and an in-plane exciton polarization, which is beneficial for the appearance of the excitonic Aharonov-Bohm effect. In the range of low magnetic fields (below 5 Tesla), we found that the bright and dark exciton states can cross twice. This results in oscillations of the photoluminescence intensity with magnetic field, which are a striking manifestation of the optical excitonic Aharonov-Bohm effect.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Stockholm	Editor
	Language		Wos	000332504600003	Publication Date	2013-11-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.28	Times cited		Open Access
	Notes	; This work was supported by the EU Network of Excellence: SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 1.28; 2013 IF: 1.296
	Call Number	UA @ lucian @ c:irua:128901			Serial	4594
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	Author	Qurashi, A.; Rather, J.A.; De Wael, K.; Merzougui, B.; Tabet, N.; Faiz, M.
	Title	Rapid microwave synthesis of high aspect-ration ZnO nanotetrapods for swift bisphenol A detection			Type	A1 Journal article
	Year	2013	Publication	The analyst	Abbreviated Journal	Analyst
	Volume	138	Issue	17	Pages	4764-4768
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322389600011	Publication Date	2013-05-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2654	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.885	Times cited	15	Open Access
	Notes	; One of the authors (Jahangir Ahmad Rather) is highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ;			Approved	Most recent IF: 3.885; 2013 IF: 3.906
	Call Number	UA @ admin @ c:irua:108959			Serial	5801
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	Author	Ustarroz, J.; Hammons, J.A.; Altantzis, T.; Hubin, A.; Bals, S.; Terryn, H.
	Title	A generalized electrochemical aggregative growth mechanism			Type	A1 Journal article
	Year	2013	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	135	Issue	31	Pages	11550-11561
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The early stages of nanocrystal nucleation and growth are still an active field of research and remain unrevealed. In this work, by the combination of aberration-corrected transmission electron microscopy (TEM) and electrochemical characterization of the electrodeposition of different metals, we provide a complete reformulation of the VolmerWeber 3D island growth mechanism, which has always been accepted to explain the early stages of metal electrodeposition and thin-film growth on low-energy substrates. We have developed a Generalized Electrochemical Aggregative Growth Mechanism which mimics the atomistic processes during the early stages of thin-film growth, by incorporating nanoclusters as building blocks. We discuss the influence of new processes such as nanocluster self-limiting growth, surface diffusion, aggregation, and coalescence on the growth mechanism and morphology of the resulting nanostructures. Self-limiting growth mechanisms hinder nanocluster growth and favor coalescence driven growth. The size of the primary nanoclusters is independent of the applied potential and deposition time. The balance between nucleation, nanocluster surface diffusion, and coalescence depends on the material and the overpotential, and influences strongly the morphology of the deposits. A small extent of coalescence leads to ultraporous dendritic structures, large surface coverage, and small particle size. Contrarily, full recrystallization leads to larger hemispherical monocrystalline islands and smaller particle density. The mechanism we propose represents a scientific breakthrough from the fundamental point of view and indicates that achieving the right balance between nucleation, self-limiting growth, cluster surface diffusion, and coalescence is essential and opens new, exciting possibilities to build up enhanced supported nanostructures using nanoclusters as building blocks.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000323019400034	Publication Date	2013-06-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	124	Open Access
	Notes	Fow; Hercules			Approved	Most recent IF: 13.858; 2013 IF: 11.444
	Call Number	UA @ lucian @ c:irua:109453			Serial	1323
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	Author	Subban, C.V.; Ati, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Janot, R.; Tarascon, J.-M.
	Title	Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates : LiMSO₄OH (M = Fe, Co, Mn) electrodes for Li-Ion batteries			Type	A1 Journal article
	Year	2013	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	135	Issue	9	Pages	3653-3661
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Li-ion rechargeable battery, due to its high energy density, has driven remarkable advances in portable electronics. Moving toward more sustainable electrodes could make this technology even more attractive to large-volume applications. We present here a new family of 3d-metal hydroxysulfates of general formula LiMSO4OH (M = Fe, Co, and Mn) among which (i) LiFeSO4OH reversibly releases 0.7 Li+ at an average potential of 3.6 V vs Li+/Li-0, slightly higher than the potential of currently lauded LiFePO4 (3.45 V) electrode material, and (ii) LiCoSO4OH shows a redox activity at 4.7 V vs Li+/Li-0. Besides, these compounds can be easily made at temperatures near 200 degrees C via a synthesis process that enlists a new intermediate phase of composition M-3(SO4)(2)(OH)(2) (M = Fe, Co, Mn, and Ni), related to the mineral caminite. Structurally, we found that LiFeSO4OH is a layered phase unlike the previously reported 3.2 V tavorite LiFeSO4OH. This work should provide an impetus to experimentalists for designing better electrolytes to fully tap the capacity of high-voltage Co-based hydroxysulfates, and to theorists for providing a means to predict the electrochemical redox activity of two polymorphs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000315936700056	Publication Date	2013-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	53	Open Access
	Notes				Approved	Most recent IF: 13.858; 2013 IF: 11.444
	Call Number	UA @ lucian @ c:irua:108283			Serial	2708
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	Author	Heidari, H.; van den Broek, W.; Bals, S.
	Title	Quantitative electron tomography : the effect of the three-dimensional point spread function			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	135	Issue		Pages	1-5
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The intensity levels in a three-dimensional (3D) reconstruction, obtained by electron tomography, can be influenced by several experimental imperfections. Such artifacts will hamper a quantitative interpretation of the results. In this paper, we will correct for artificial intensity variations by determining the 3D point spread function (PSF) of a tomographic reconstruction based on high angle annular dark field scanning transmission electron microscopy. The large tails of the PSF cause an underestimation of the intensity of smaller particles, which in turn hampers an accurate radius estimate. Here, the error introduced by the PSF is quantified and corrected a posteriori.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000326941500001	Publication Date	2013-06-21
	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	6	Open Access
	Notes	Esteem2; Sunflower; esteem2_jra4			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:111397			Serial	2756
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	Author	de Backer, A.; Martinez, G.T.; Rosenauer, A.; Van Aert, S.
	Title	Atom counting in HAADF STEM using a statistical model-based approach : methodology, possibilities, and inherent limitations			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	134	Issue		Pages	23-33
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present paper, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. In order to count the number of atoms, it is assumed that the total scattered intensity scales with the number of atoms per atom column. These intensities are quantitatively determined using model-based statistical parameter estimation theory. The distribution describing the probability that intensity values are generated by atomic columns containing a specific number of atoms is inferred on the basis of the experimental scattered intensities. Finally, the number of atoms per atom column is quantified using this estimated probability distribution. The number of atom columns available in the observed STEM image, the number of components in the estimated probability distribution, the width of the components of the probability distribution, and the typical shape of a criterion to assess the number of components in the probability distribution directly affect the accuracy and precision with which the number of atoms in a particular atom column can be estimated. It is shown that single atom sensitivity is feasible taking the latter aspects into consideration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000324474900005	Publication Date	2013-05-17
	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	48	Open Access
	Notes	FWO; Esteem2; FP 2007-2013; esteem2_jra2			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109916			Serial	162
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	Author	den Dekker, A.J.; Gonnissen, J.; de Backer, A.; Sijbers, J.; Van Aert, S.
	Title	Estimation of unknown structure parameters from high-resolution (S)TEM images : what are the limits?			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	134	Issue		Pages	34-43
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Statistical parameter estimation theory is proposed as a quantitative method to measure unknown structure parameters from electron microscopy images. Images are then purely considered as data planes from which structure parameters have to be determined as accurately and precisely as possible using a parametric statistical model of the observations. For this purpose, an efficient algorithm is proposed for the estimation of atomic column positions and intensities from high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. Furthermore, the so-called CramérRao lower bound (CRLB) is reviewed to determine the limits to the precision with which continuous parameters such as atomic column positions and intensities can be estimated. Since this lower bound can only be derived for continuous parameters, alternative measures using the principles of detection theory are introduced for problems concerning the estimation of discrete parameters such as atomic numbers. An experimental case study is presented to show the practical use of these measures for the optimization of the experiment design if the purpose is to decide between the presence of specific atom types using STEM images.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000324474900006	Publication Date	2013-06-01
	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	31	Open Access
	Notes	FWO; FP 2007-2013; Esteem2; esteem2_jra2			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109240			Serial	1083
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	Author	Dunin-Borkowski, R.E.; Lichte, H.; Tillmann, K.; Van Aert, S.; Van Tendeloo, G.
	Title	Introduction to a special issue in honour of W. Owen Saxton, David J. Smith and Dirk Van Dyck on the occasion of their 65th birthdays			Type	Editorial
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	134	Issue		Pages	1-1
	Keywords	Editorial; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Elsevier science bv	Place of Publication	Amsterdam	Editor
	Language		Wos	000324474900001	Publication Date	2013-07-24
	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	1	Open Access
	Notes				Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109917			Serial	1721
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	Author	Wang, A.; Turner, S.; Van Aert, S.; van Dyck, D.
	Title	An alternative approach to determine attainable resolution directly from HREM images			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	133	Issue		Pages	50-61
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000324471800007	Publication Date	2013-05-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.843	Times cited		Open Access
	Notes	FWO; Hercules; Esteem2; esteem2_jra2			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109919			Serial	90
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	Author	Neyts, E.C.; Bogaerts, A.
	Title	Combining molecular dynamics with Monte Carlo simulations : implementations and applications			Type	A1 Journal article
	Year	2013	Publication	Theoretical chemistry accounts : theory, computation, and modeling	Abbreviated Journal	Theor Chem Acc
	Volume	132	Issue	2	Pages	1320-12
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000318294700010	Publication Date	2012-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1432-881X;1432-2234;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.89	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 1.89; 2013 IF: 2.143
	Call Number	UA @ lucian @ c:irua:104725			Serial	404
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	Author	Béché, A.; Rouviere, J.L.; Barnes, J.P.; Cooper, D.
	Title	Strain measurement at the nanoscale : comparison between convergent beam electron diffraction, nano-beam electron diffraction, high resolution imaging and dark field electron holography			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	131	Issue		Pages	10-23
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Convergent beam electron diffraction (CBED), nano-beam electron diffraction (NBED or NBD), high resolution imaging (HRTEM and HRSTEM) and dark field electron holography (DFEH or HoloDark) are five TEM based techniques able to quantitatively measure strain at the nanometer scale. In order to demonstrate the advantages and disadvantages of each technique, two samples composed of epitaxial silicon-germanium layers embedded in a silicon matrix have been investigated. The five techniques are then compared in terms of strain precision and accuracy, spatial resolution, field of view, mapping abilities and ease of performance and analysis. (C) 2013 Elsevier By. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000322631200002	Publication Date	2013-04-06
	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	73	Open Access
	Notes				Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109774			Serial	3171
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	Author	de Baerdemaeker, T.; Lemmens, B.; Dotremont, C.; Fret, J.; Roef, L.; Goiris, K.; Diels, L.
	Title	Benchmark study on algae harvesting with backwashable submerged flat panel membranes			Type	A1 Journal article
	Year	2013	Publication	Bioresource technology	Abbreviated Journal
	Volume	129	Issue		Pages	582-591
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The feasibility of algae harvesting with submerged flat panel membranes was investigated as pre-concentration step prior to centrifugation. Polishing of the supernatant coming from the centrifuge was evaluated as well. The effect of membrane polymer (polyvinyl chloride [PVC], polyethersulfone polyvinyl-pyrollidone [PES-PVP], poly vinylidene fluoride [PVDF]), pore size (microfiltration [MF], ultrafiltration [UF]), algae cell concentrations and species were investigated at lab-scale. In addition, backwashing as fouling control was compared to standard relaxation. PVDF was the superior polymer, and UF showed better fouling resistance. Backwashing outperformed relaxation in fouling control. The backwashable membranes allowed up to 300% higher fluxes compared to commercial flat panel benchmark (PVC) membranes. Estimations on energy consumption for membrane filtration followed by centrifugation revealed relatively low values of 0.169 kW h/kg of dry weight of algae compared to 0.5 kW h/kg for algae harvesting via classical centrifuge alone. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000324566000079	Publication Date	2012-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-8524	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:111203			Serial	7554
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	Author	Goris, B.; Roelandts, T.; Batenburg, K.J.; Heidari Mezerji, H.; Bals, S.
	Title	Advanced reconstruction algorithms for electron tomography : from comparison to combination			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	127	Issue		Pages	40-47
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	In this work, the simultaneous iterative reconstruction technique (SIRT), the total variation minimization (TVM) reconstruction technique and the discrete algebraic reconstruction technique (DART) for electron tomography are compared and the advantages and disadvantages are discussed. Furthermore, we describe how the result of a three dimensional (3D) reconstruction based on TVM can provide objective information that is needed as the input for a DART reconstruction. This approach results in a tomographic reconstruction of which the segmentation is carried out in an objective manner.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000316659100007	Publication Date	2012-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	63	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:101217			Serial	72
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	Author	Compernolle, T.; Van Passel, S.; Lebbe, L.
	Title	Bioremediation : how to deal with removal efficiency uncertainty? An economic application			Type	A1 Journal article
	Year	2013	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
	Volume	127	Issue		Pages	77-85
	Keywords	A1 Journal article; Economics
	Abstract	Bioremediation is a remediation strategy, which has considerable strength but also certain limitations. Complex and uncertain relationships among biomass, contaminants, and nutrients lead to an uncertain level of removal efficiency. The uncertainty inherent to a bioremediation strategy should be addressed in the remediation selection process. In order to evaluate the bioremediation strategy economically, this study takes into account the reversibility of a decision. A decision tree structures the different remediation strategies, thus giving the possible courses of action open to the decision maker. The option value indicates the importance of having the possibility to reverse a previously made decision. Compared with conventional economic evaluation tools, more information to ground the selection made is revealed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322940100010	Publication Date	2013-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.01	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 4.01; 2013 IF: 3.188
	Call Number	UA @ admin @ c:irua:129868			Serial	6162
Permanent link to this record