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	Author	Meul, M.; Van Middelaar, C.E.; de Boer, I.J.M.; Van Passel, S.; Fremaut, D.; Haesaert, G.
	Title	Potential of life cycle assessment to support environmental decision making at commercial dairy farms			Type	A1 Journal article
	Year	2014	Publication	Agricultural Systems	Abbreviated Journal	Agr Syst
	Volume	131	Issue		Pages	105-115
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	In this paper, we evaluate the potential of life cycle assessment (LCA) to support environmental decision making at commercial dairy farms. To achieve this, we follow a four-step method that allows converting environmental assessment results using LCA into case-specific advice for farmers. This is illustrated in a case-study involving 20 specialized Flemish dairy farms. Calculated LCA indicators are normalized into scores between 0 and 100, whereby a score of 100 is assumed optimal, to allow for a mutual comparison of indicators for different environmental impact categories. Next, major farm and management characteristics affecting environmental performance are identified using multiple regression and correlation analyses. Finally, comparing specific farm and management characteristics with those of best performing farms identifies farm-specific optimization strategies. We conclude that this approach complies with most of the identified critical success factors for the successful implementation of LCA as a decision support system for farmers. Key aspects herein are (i) the flexibility and accessibility of the model, (ii) the use of readily available farm data, (iii) farm advisors being intended model users, (iv) the identification of key farm and management characteristics affecting environmental performance and (v) the organization of discussion sessions involving farmers and farm advisors. However, attention should be paid (i) to provide sufficient training and guidance for farm advisors on the use of the applied LCA model and the interpretation of results, (ii) to evaluate the correctness of the used data and (iii) to keep the model up-to-date according to new scientific insights and knowledge concerning LCA methodology. (C) 2014 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343955300011	Publication Date	2014-09-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0308-521x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.571	Times cited	25	Open Access
	Notes	; ;			Approved	Most recent IF: 2.571; 2014 IF: 2.906
	Call Number	UA @ admin @ c:irua:127540			Serial	6238
Permanent link to this record



	Author	Buffière, M.; Brammertz, G.; Oueslati, S.; El Anzeery, H.; Bekaert, J.; Ben Messaoud, K.; Köble, C.; Khelifi, S.; Meuris, M.; Poortmans, J.
	Title	Spectral current-voltage analysis of kesterite solar cells			Type	A1 Journal article
	Year	2014	Publication	Journal Of Physics D-Applied Physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	47	Issue	17	Pages	175101-175105
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	Current-voltage analysis using different optical band pass filters has been performed on Cu2ZnSnSe4 and Cu2ZnSn(S, Se)(4) thin-film solar cells. When using red or orange light (i.e. wavelengths above 600 nm), a distortion appears in the I-V curve of the Cu2ZnSnSe4 solar cell, indicating an additional potential barrier to the current flow in the device for these conditions of illumination. This barrier is reduced when using a Cu2ZnSn(S, Se)(4) absorber. Numerical simulations demonstrate that the barrier visible under red light could be explained by a positive conduction band offset at the front interface coupled with compensating defects in the buffer layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000334504800003	Publication Date	2014-04-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	25	Open Access
	Notes				Approved	Most recent IF: 2.588; 2014 IF: 2.721
	Call Number	UA @ lucian @ c:irua:117170			Serial	3070
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	Author	Roose, D.; Leroux, F.; De Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; Van der Linden, A.; Bals, S.
	Title	Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale			Type	A1 Journal article
	Year	2014	Publication	Contrast Media & Molecular Imaging	Abbreviated Journal	Contrast Media Mol I
	Volume	9	Issue	6	Pages	400-408
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9 months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1 week and in the olfactory bulb at 9 months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9 months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond.
	Address	EMAT, University of Antwerp, Antwerp, Belgium; Bio-Imaging Lab, University of Antwerp, Antwerp, Belgium; Laboratory of Experimental Hematology, University of Antwerp, Antwerp, Belgium
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000346172100002	Publication Date	2014-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1555-4309;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	8	Open Access	Not_Open_Access
	Notes	IAP-PAI; 262348 ESMI; Hercules Type 1: AUHA 09/001 and AUHA 11/01			Approved	Most recent IF: 3.307; 2014 IF: 2.923
	Call Number	UA @ lucian @			Serial	3938
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	Author	N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton
	Title	Atomic scale real-space mapping of holes in YBa2Cu3O6+δ			Type	A1 Journal Article
	Year	2014	Publication	Nature Communications	Abbreviated Journal
	Volume	5	Issue		Pages	4275
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000340615100002	Publication Date	2014-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	22	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4542
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	Author	N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton
	Title	Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices			Type	A1 Journal Article
	Year	2014	Publication	Physical Review B	Abbreviated Journal
	Volume	90	Issue		Pages	195140
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K, Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface, possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation. The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O hybridization due to heterostructuring as possible origin.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000345467000003	Publication Date	2014-11-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	17	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4544
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	Author	M. K. Kinyanjui, N. Gauquelin, E. Benckiser, H. –U. Habermeier, B. Keimer, U. Kaiser and G.A. Botton
	Title	Local lattice distortion and anisotropic modulation in Epitaxially Strained LaNiO3/LaAlO3 hetero-structures			Type	A1 Journal Article
	Year	2014	Publication	Applied Physics Letters	Abbreviated Journal
	Volume	104	Issue		Pages	221909
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Using a complementary combination of x-ray diffraction and atomically resolved imaging we investigated the lattice structure of epitaxial LaNiO3/LaAlO3 superlattices grown on a compressive-strain inducing LaSrAlO4 (001) substrate. A refinement of the structure obtained from the x-ray data revealed the monoclinic I 2/c 1 1 space group. The (Ni/Al)O6 octahedral rotation angle perpendicular to the superlattice plane is enhanced, and the one parallel to the plane is reduced with respect to the corresponding bulk values. High-angle annular dark field imaging was used to determine the lattice parameters within the superlattice unit cell. High-resolution electron microscopy images of the oxygen atoms are consistent with the x-ray results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000337161700029	Publication Date	2014-06-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	22	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4545
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	Author	Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V.
	Title	Element Specific Monolayer Depth Profiling			Type	A1 Journal Article
	Year	2014	Publication	Advanced Materials	Abbreviated Journal	Adv Mater
	Volume	26	Issue	38	Pages	6554-6559
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
	Abstract	The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343763200004	Publication Date	2014-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1521-4095	ISBN		Additional Links
	Impact Factor	19.791	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 19.791; 2014 IF: NA
	Call Number	EMAT @ emat @			Serial	4541
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	Author	Lobato Hoyos, I.P.; van Dyck, D.
	Title	An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints			Type	A1 Journal article
	Year	2014	Publication	Acta crystallographica: section A: foundations of crystallography	Abbreviated Journal	Acta Crystallogr A
	Volume	70	Issue	6	Pages	636-649
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000344599300012	Publication Date	2014-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-2733;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.725	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 5.725; 2014 IF: NA
	Call Number	UA @ lucian @ c:irua:122103			Serial	93
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	Author	Van den Broek, W.; Rosenauer, A.; Van Aert, S.; Sijbers, J.; van Dyck, D.
	Title	A memory efficient method for fully three-dimensional object reconstruction with HAADF STEM			Type	A1 Journal article
	Year	2014	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	141	Issue		Pages	22-31
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The conventional approach to object reconstruction through electron tomography is to reduce the three-dimensional problem to a series of independent two-dimensional slice-by-slice reconstructions. However, at atomic resolution the image of a single atom extends over many such slices and incorporating this image as prior knowledge in tomography or depth sectioning therefore requires a fully three-dimensional treatment. Unfortunately, the size of the three-dimensional projection operator scales highly unfavorably with object size and readily exceeds the available computer memory. In this paper, it is shown that for incoherent image formation the memory requirement can be reduced to the fundamental lower limit of the object size, both for tomography and depth sectioning. Furthermore, it is shown through multislice calculations that high angle annular dark field scanning transmission electron microscopy can be sufficiently incoherent for the reconstruction of single element nanocrystals, but that dynamical diffraction effects can cause classification problems if more than one element is present. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000335766600004	Publication Date	2014-03-22
	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	ResearchFoundationFlanders(FWO;G.0393.11; G.0064.10;andG.0374.13); European Union Seventh Frame- workProgramme [FP7/2007-2013]under Grant agreement no. 312483 (ESTEEM2).; esteem2jra2; esteem2jra4			Approved	Most recent IF: 2.843; 2014 IF: 2.436
	Call Number	UA @ lucian @ c:irua:117650			Serial	1992
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	Author	Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S.
	Title	Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	6	Pages	063116
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341188700073	Publication Date	2014-08-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	12	Open Access
	Notes	FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:118333			Serial	2482
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	Author	Malladi, S.K.; Xu, Q.; van Huis, M.A.; Tichelaar, F.D.; Batenburg, K.J.; Yucelen, E.; Dubiel, B.; Czyrska-Filemonowicz, A.; Zandbergen, H.W.
	Title	Real-time atomic scale imaging of nanostructural evolution in aluminum alloys			Type	A1 Journal article
	Year	2014	Publication	Nano Letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	1	Pages	384-389
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	We present a new approach to study the three-dimensional compositional and structural evolution of metal alloys during heat treatments such as commonly used for improving overall material properties. It relies on in situ heating in a high-resolution scanning transmission electron microscope (STEM). The approach is demonstrated using a commercial Al alloy AA2024 at 100-240 degrees C, showing in unparalleled detail where and how precipitates nucleate, grow,or dissolve. The observed size evolution of individual precipitates enables a separation between nucleation and growth phenomena, necessary for the development of refined growth models. We conclude that the in situ heating STEM approach opens a route to a much faster determination of the interplay between local compositions, heat treatments, microstructure, and mechanical properties of new alloys.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000329586700061	Publication Date	2013-12-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:114789			Serial	2833
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	Author	Adam, N.; Leroux, F.; Knapen, D.; Bals, S.; Blust, R.
	Title	The uptake of ZnO and CuO nanoparticles in the water-flea Daphnia magna under acute exposure scenarios			Type	A1 Journal article
	Year	2014	Publication	Environmental pollution	Abbreviated Journal	Environ Pollut
	Volume	194	Issue		Pages	130-137
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Veterinary physiology and biochemistry
	Abstract	In this study the uptake of ZnO and CuO nanoparticles by Daphnia magna was tested. Daphnids were exposed during 48 h to acute concentrations of the nanoparticles and corresponding metal salts. The Daphnia zinc and copper concentration was measured and the nanoparticles were localized using electron microscopy. The aggregation and dissolution in the medium was characterized. A fast dissolution of ZnO in the medium was observed, while most CuO formed large aggregates and only a small fraction dissolved. The Daphnia zinc concentration was comparable for the nanoparticles and salts. Contrarily, a much higher Daphnia copper concentration was observed in the CuO exposure, compared to the copper salt. CuO nanoparticles adsorbed onto the carapace and occurred in the gut but did not internalize in the tissues. The combined dissolution and uptake results indicate that the toxicity of both nanoparticle types was caused by metal ions dissolved from the particles in the medium.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000342530800016	Publication Date	2014-08-07
	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	45	Open Access	Not_Open_Access
	Notes	; We would like to thank Valentine Mubiana and Steven Joosen (Sphere, UA) for performing the ICP-OES and ICP-MS measurements and Prof. Dr. Gustaaf Van Tendeloo for making the collaboration between the EMAT and Sphere group possible. Additional thanks go to the European Commission for funding this work through the project ENNSATOX (NMP4-SL-2009-229244). ;			Approved	Most recent IF: 5.099; 2014 IF: 4.143
	Call Number	UA @ lucian @ c:irua:118326			Serial	3823
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	Author	Verbruggen, S.W.; Deng, S.; Kurttepeli, M.; Cott, D.J.; Vereecken, P.M.; Bals, S.; Martens, J.A.; Detavernier, C.; Lenaerts, S.
	Title	Photocatalytic acetaldehyde oxidation in air using spacious TiO₂ films prepared by atomic layer deposition on supported carbonaceous sacrificial templates			Type	A1 Journal article
	Year	2014	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	160	Issue		Pages	204-210
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Supported carbon nanosheets and carbon nanotubes served as sacrificial templates for preparing spacious TiO2 photocatalytic thin films. Amorphous TiO2 was deposited conformally on the carbonaceous template material by atomic layer deposition (ALD). Upon calcination at 550 °C, the carbon template was oxidatively removed and the as-deposited continuous amorphous TiO2 layers transformed into interlinked anatase nanoparticles with an overall morphology commensurate to the original template structure. The effect of type of template, number of ALD cycles and gas residence time of pollutant on the photocatalytic activity, as well as the stability of the photocatalytic performance of these thin films was investigated. The TiO2 films exhibited excellent photocatalytic activity toward photocatalytic degradation of acetaldehyde in air as a model reaction for photocatalytic indoor air pollution abatement. Optimized films outperformed a reference film of commercial PC500.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000340687900024	Publication Date	2014-05-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-3373;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.446	Times cited	37	Open Access	OpenAccess
	Notes	335078 Colouratom; Iap-Pai P7/05; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 9.446; 2014 IF: 7.435
	Call Number	UA @ lucian @ c:irua:117094			Serial	2608
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	Author	Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
	Title	Effect of Bi bilayers on the topological states of Bi₂Se₃ : a first-principles study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	15	Pages	155124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343773200001	Publication Date	2014-10-20
	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	30	Open Access
	Notes	; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:119527			Serial	800
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	Author	Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J.
	Title	High throughput first-principles calculations of bixbyite oxides for TCO applications			Type	A1 Journal article
	Year	2014	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	16	Issue	33	Pages	17724-17733
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000341064800041	Publication Date	2014-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	23	Open Access
	Notes	; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ;			Approved	Most recent IF: 4.123; 2014 IF: 4.493
	Call Number	UA @ lucian @ c:irua:118263			Serial	1469
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	Author	Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
	Title	Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	5	Pages	054106-54109
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332420900001	Publication Date	2014-03-05
	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	5	Open Access
	Notes	Fwo; Hercules			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:114910			Serial	1487
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	Author	Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D.
	Title	Native point defects in CuIn_1-xGa_xSe₂ : hybrid density functional calculations predict the origin of p- and n-type conductivity			Type	A1 Journal article
	Year	2014	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	16	Issue	40	Pages	22299-22308
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000343072800042	Publication Date	2014-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	43	Open Access
	Notes	; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules foundation and the Flemish Government (EWI Department). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ;			Approved	Most recent IF: 4.123; 2014 IF: 4.493
	Call Number	UA @ lucian @ c:irua:120465			Serial	2284
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	Author	Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	The origin of p-type conductivity in ZnM₂O₄ (M = Co, Rh, Ir) spinels			Type	A1 Journal article
	Year	2014	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	16	Issue	6	Pages	2588-2596
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000329926700040	Publication Date	2013-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	47	Open Access
	Notes	Fwo; Goa; Hercules			Approved	Most recent IF: 4.123; 2014 IF: 4.493
	Call Number	UA @ lucian @ c:irua:114829			Serial	2525
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	Author	Van Boxem, R.; Partoens, B.; Verbeeck, J.
	Title	Rutherford scattering of electron vortices			Type	A1 Journal article
	Year	2014	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	89	Issue	3	Pages	032715-32719
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	By considering a cylindrically symmetric generalization of a plane wave, the first-order Born approximation of screened Coulomb scattering unfolds two new dimensions in the scattering problem: transverse momentum and orbital angular momentum of the incoming beam. In this paper, the elastic Coulomb scattering amplitude is calculated analytically for incoming Bessel beams. This reveals novel features occurring for wide-angle scattering and quantitative insights for small-angle vortex scattering. The result successfully generalizes the well-known Rutherford formula, incorporating transverse and orbital angular momentum into the formalism.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000333690500008	Publication Date	2014-03-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	34	Open Access
	Notes	312483-Esteem2; N246791 – Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_;			Approved	Most recent IF: 2.925; 2014 IF: 2.808
	Call Number	UA @ lucian @ c:irua:115562UA @ admin @ c:irua:115562			Serial	2936
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	Author	Roose, D.; Leroux, F.; de Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; van der Linden, A.-M.; Bals, S.
	Title	Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale			Type	A1 Journal article
	Year	2014	Publication	Contrast media and molecular imaging	Abbreviated Journal	Contrast Media Mol I
	Volume	9	Issue	6	Pages	400-408
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Bio-Imaging lab
	Abstract	In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1week and in the olfactory bulb at 9months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond. Copyright (c) 2014 John Wiley Sons, Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000346172100001	Publication Date	2014-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1555-4309;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	5	Open Access	Not_Open_Access
	Notes	; The authors would like to thank Sofie Thys for her technical support. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001 and AUHA 11/01). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative no. 262348 European Soft Matter Infrastructure, ESMI), the Fund for Scientific Research- Flanders and the Flemish Institute for Science and Technology and the Belgian government through the Interuniversity Attraction Pole Program (IAP- PAI). ;			Approved	Most recent IF: 3.307; 2014 IF: 2.923
	Call Number	UA @ lucian @ c:irua:122750			Serial	2222
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	Author	Grieten, E.; Caen, J.; Schryvers, D.
	Title	Optimal sample preparation to characterize corrosion in historical photographs with analytical TEM			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	5	Pages	1585-1590
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	An alternative focused ion beam preparation method is used for sampling historical photographs containing metallic nanoparticles in a polymer matrix. We use the preparation steps of classical ultra-microtomy with an alternative final sectioning with a focused ion beam. Transmission electron microscopy techniques show that the lamella has a uniform thickness, which is an important factor for analytical transmission electron microscopy. Furthermore, the method maintains the spatial distribution of nanoparticles in the soft matrix. The results are compared with traditional preparation techniques such as ultra-microtomy and classical focused ion beam milling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000345742900031	Publication Date	2014-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:118481			Serial	2484
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	Author	Zhang, F.; Vanmeensel, K.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Naert, I.; Vleugels, J.
	Title	3Y-TZP ceramics with improved hydrothermal degradation resistance and fracture toughness			Type	A1 Journal article
	Year	2014	Publication	Journal of the European Ceramic Society	Abbreviated Journal	J Eur Ceram Soc
	Volume	34	Issue	10	Pages	2453-2463
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Different factors such as the way of incorporating the Y2O3 stabilizer, alumina addition and sintering temperature were assessed with the goal to improve the low temperature degradation (LTD) resistance of 3Y-TZP without compromising on the mechanical properties. The degradation of hydrothermally treated specimens was studied by X-ray diffraction, micro-Raman spectroscopy and scanning electron microscopy. Decreasing the sintering temperature decreased the LTD susceptibility of 3Y-TZPs but did not allow to obtain a LTD resistant 3Y-TZP with optimized mechanical properties. Alumina addition along with the use of Y2O3 stabilizer coated starting powder allowed to combine both an excellent toughness and LTD resistance, as compared to alumina-free and stabilizer co-precipitated powder based equivalents. Transmission electron microscopy revealed that the improved LTD resistance could be attributed to the segregation of Al3+ at the grain boundary and the heterogeneously distributed Y3+ stabilizer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Barking	Editor
	Language		Wos	000336352500033	Publication Date	2014-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0955-2219;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	48	Open Access
	Notes	Fwo G.0431.10n			Approved	Most recent IF: 3.411; 2014 IF: 2.947
	Call Number	UA @ lucian @ c:irua:117065 c:irua:117065			Serial	11
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	Author	Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E.
	Title	Ag nanoparticles on mixed Al₂O₃-Ga₂O₃ supports as catalysts for the N-alkylation of amines with alcohols			Type	A1 Journal article
	Year	2014	Publication	Applied catalysis : A : general	Abbreviated Journal	Appl Catal A-Gen
	Volume	469	Issue		Pages	373-379
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000329266500045	Publication Date	2013-10-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-860X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.339	Times cited	24	Open Access
	Notes				Approved	Most recent IF: 4.339; 2014 IF: 3.942
	Call Number	UA @ lucian @ c:irua:111095			Serial	83
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	Author	Sun, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Sougrati, M.-T.; Courty, M.; Doublet, M.-L.; Tarascon, J.-M.
	Title	An oxysulfate Fe₂O(SO₄)₂ electrode for sustainable Li-based batteries			Type	A1 Journal article
	Year	2014	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	136	Issue	36	Pages	12658-12666
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	High-performing Fe-based electrodes for Li-based batteries are eagerly pursued because of the abundance and environmental benignity of iron, with especially great interest in polyanionic compounds because of their flexibility in tuning the Fe3+/Fe2+ redox potential. We report herein the synthesis and structure of a new Fe-based oxysulfate phase, Fe2O(SO4)(2), made at low temperature from abundant elements, which electrochemically reacts with nearly 1.6 Li atoms at an average voltage of 3.0 V versus Li+/Li, leading to a sustained reversible capacity of similar to 125 mAh/g. The Li insertiondeinsertion process, the first ever reported in any oxysulfate, entails complex phase transformations associated with the position of iron within the FeO6 octahedra. This finding opens a new path worth exploring in the quest for new positive electrode materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000341544600029	Publication Date	2014-08-14
	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	11	Open Access
	Notes				Approved	Most recent IF: 13.858; 2014 IF: 12.113
	Call Number	UA @ lucian @ c:irua:119906			Serial	96
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	Author	Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V.
	Title	Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO₃)_n films by means of metalorganic aerosol deposition			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	25	Pages	251603
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000346914000007	Publication Date	2014-12-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	32	Open Access
	Notes	246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO;			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830			Serial	172
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	Author	Egoavil, R.; Gauquelin, N.; Martinez, G.T.; Van Aert, S.; Van Tendeloo, G.; Verbeeck, J.
	Title	Atomic resolution mapping of phonon excitations in STEM-EELS experiments			Type	A1 Journal article
	Year	2014	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	147	Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Atomically resolved electron energy-loss spectroscopy experiments are commonplace in modern aberration-corrected transmission electron microscopes. Energy resolution has also been increasing steadily with the continuous improvement of electron monochromators. Electronic excitations however are known to be delocalized due to the long range interaction of the charged accelerated electrons with the electrons in a sample. This has made several scientists question the value of combined high spatial and energy resolution for mapping interband transitions and possibly phonon excitation in crystals. In this paper we demonstrate experimentally that atomic resolution information is indeed available at very low energy losses around 100 meV expressed as a modulation of the broadening of the zero loss peak. Careful data analysis allows us to get a glimpse of what are likely phonon excitations with both an energy loss and gain part. These experiments confirm recent theoretical predictions on the strong localization of phonon excitations as opposed to electronic excitations and show that a combination of atomic resolution and recent developments in increased energy resolution will offer great benefit for mapping phonon modes in real space.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000343157400001	Publication Date	2014-05-29
	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	22	Open Access
	Notes	246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.843; 2014 IF: 2.436
	Call Number	UA @ lucian @ c:irua:118332UA @ admin @ c:irua:118332			Serial	177
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	Author	Batuk, M.; Turner, S.; Abakumov, A.M.; Batuk, D.; Hadermann, J.; Van Tendeloo, G.
	Title	Atomic structure of defects in anion-deficient perovskite-based ferrites with a crystallographic shear structure			Type	A1 Journal article
	Year	2014	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	53	Issue	4	Pages	2171-2180
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Crystallographic shear (CS) planes provide a new structure-generation mechanism in the anion-deficient perovskites containing lone-pair cations. Pb2Sr2Bi2Fe6O16, a new n = 6 representative of the AnBnO3n2 homologous series of the perovskite-based ferrites with the CS structure, has been synthesized using the solid-state technique. The structure is built of perovskite blocks with a thickness of four FeO6 octahedra spaced by double columns of FeO5 edge-sharing distorted tetragonal pyramids, forming 1/2[110](101)p CS planes (space group Pnma, a = 5.6690(2) Å, b = 3.9108(1) Å, c = 32.643(1) Å). Pb2Sr2Bi2Fe6O16 features a wealth of microstructural phenomena caused by the flexibility of the CS planes due to the variable ratio and length of the constituting fragments with {101}p and {001}p orientation. This leads to the formation of waves, hairpins, Γ-shaped defects, and inclusions of the hitherto unknown layered anion-deficient perovskites Bi2(Sr,Pb)Fe3O8.5 and Bi3(Sr,Pb)Fe4O11.5. Using a combination of diffraction, imaging, and spectroscopic transmission electron microscopy techniques this complex microstructure was fully characterized, including direct determination of positions, chemical composition, and coordination number of individual atomic species. The complex defect structure makes these perovskites particularly similar to the CS structures in ReO3-type oxides. The flexibility of the CS planes appears to be a specific feature of the Sr-based system, related to the geometric match between the SrO perovskite layers and the {100}p segments of the CS planes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000332144100039	Publication Date	2014-01-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	6	Open Access
	Notes	Countatoms; FWO			Approved	Most recent IF: 4.857; 2014 IF: 4.762
	Call Number	UA @ lucian @ c:irua:113507			Serial	198
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	Author	Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J.
	Title	Cation ordering and flexibility of the BO₄^2- tetrahedra in incommensurately modulated CaEu₂(BO₄)₄ (B = Mo, W) scheelites			Type	A1 Journal article
	Year	2014	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	53	Issue	17	Pages	9407-9415
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a + 0.82068(9)b, q(2) = -0.82068(9)a + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000341229600068	Publication Date	2014-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	48	Open Access
	Notes	Fwo G039211n			Approved	Most recent IF: 4.857; 2014 IF: 4.762
	Call Number	UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292			Serial	297
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	Author	Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A.
	Title	Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode			Type	A1 Journal article
	Year	2014	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	118	Issue	8	Pages	3890-3900
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000332188100004	Publication Date	2014-02-12
	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	57	Open Access
	Notes	Fwo			Approved	Most recent IF: 4.536; 2014 IF: 4.772
	Call Number	UA @ lucian @ c:irua:115571			Serial	352
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	Author	Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.;
	Title	Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn₃)Mn₄O₁₂			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	18	Pages	180101
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344915100001	Publication Date	2014-11-10
	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	11	Open Access
	Notes				Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:122097			Serial	406
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