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	Author	Shariat, M.; Shokri, B.; Neyts, E.C.
	Title	On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	590	Issue		Pages	131-135
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000327721000024	Publication Date	2013-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:112775			Serial	2439
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	Author	Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
	Title	Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study			Type	A1 Journal article
	Year	2011	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	510	Issue	1/3	Pages	14-17
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000291478400002	Publication Date	2011-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.815; 2011 IF: 2.337
	Call Number	UA @ lucian @ c:irua:90453			Serial	3625
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	Author	ben Azzouz, F.; Zouaoui, M.; Mani, K.D.; Annabi, M.; Van Tendeloo, G.; ben Salem, M.
	Title	Structure, microstructure and transport properties of B-doped YBCO system			Type	A1 Journal article
	Year	2006	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	442	Issue	1	Pages	13-19
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000238756600003	Publication Date	2006-05-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.404; 2006 IF: 0.792
	Call Number	UA @ lucian @ c:irua:59712			Serial	3304
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	Author	Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Kloetzer, B.; Rameshan, C.; Pfaller, K.
	Title	Origin of different deactivation of Pd/SnO₂ and Pd/GeO₂ catalysts in methanol dehydrogenation and reforming: a comparative study			Type	A1 Journal article
	Year	2010	Publication	Applied catalysis : A : general	Abbreviated Journal	Appl Catal A-Gen
	Volume	381	Issue	1/2	Pages	242-252
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pd particles supported on SnO2 and GeO2 have been structurally investigated by X-ray diffraction, (High-Resolution) transmission and scanning electron microscopy after different reductive treatments to monitor the eventual formation of bimetallic phases and catalytically tested in methanol dehydrogenation/ reforming. For both oxides this included a thin film sample with well-defined Pd particles and a powder catalyst prepared by incipient wetness impregnation. The hexagonal and the tetragonal polymorph were studied for powder GeO2. Pd2Ge formation was observed on all GeO2-supported catalysts, strongly depending on the specific sample used. Reduction of the thin film at 573K resulted in full transformation into the bimetallic state. The partial solubility of hexagonal GeO2 in water and its thermal structural instability yielded Pd2Ge formation at 473 K, at the cost of a structurally inhomogeneous support and Ge metal formation at higher reduction temperatures. Pd on tetragonal GeO2 entered a state of strong metalsupport interaction after reduction at 573673 K, resulting in coalescing Pd2Ge particles on a sintered and re-crystallized support, apparently partially covering the bimetallic particles and decreasing the catalytic activity. Pd2Ge on amorphous thin film and hexagonal GeO2 converted methanol primarily via dehydrogenation to CO and H2. At 573 K, formation of Pd2Sn and also PdSn occurred on the Pd/SnO2 thin film. Pd3Sn2 (and to some extent Pd2Sn) were predominantly obtained on the respective powder catalyst. Strong deactivation with increasing reduction temperature was observed, likely not based on the classical strong metalsupport interaction effect, but rather on a combination of missing active structural ensembles on Sn-enriched bimetallic phases and the formation of metallic -Sn. Correlations to Pd and its bimetallics supported on ZnO, Ga2O3 and In2O3 were also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000279100700029	Publication Date	2010-04-26
	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	14	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 4.339; 2010 IF: 3.384
	Call Number	UA @ lucian @ c:irua:83927			Serial	2522
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	Author	Misko, V.R.; Fomin, V.M.; Devreese, J.T.; Moshchalkov, V.V.
	Title	Vortex states in a mescopic superconducting triangle			Type	A1 Journal article
	Year	2002	Publication	Physica C-Superconductivity And Its Applications	Abbreviated Journal	Physica C
	Volume	369	Issue		Pages	361-365
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000174200000066	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.404; 2002 IF: 0.912
	Call Number	UA @ lucian @ c:irua:40883			Serial	3885
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	Author	Gholampour, N.; Chaemchuen, S.; Hu, Z.-Y.; Mousavi, B.; Van Tendeloo, G.; Verpoort, F.
	Title	Simultaneous creation of metal nanoparticles in metal organic frameworks via spray drying technique			Type	A1 Journal article
	Year	2017	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	322	Issue		Pages	702-709
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In-situ fabrication of palladium(0) nanoparticles inside zeolitic imidazolate frameworks (ZIF-8) has been established via one-step facile spray-dry technique. Crystal structures and morphologies of the Pd@ZIF-8 samples are investigated by powder XRD, TEM, SAED, STEM, and EDX techniques. High angle annular dark field scanning transmission electron microscopy (HAAD-STEM) and 3D tomographic analysis confirm the presence of palladium nanoparticles inside the ZIF-8 structure. The porosity, surface area and N-2 physisorption properties are evaluated for Pd@ZIF-8 with various palladium contents. Furthermore, Pd@ZIF-8 samples are effectively applied as heterogeneous catalysts in alkenes hydrogenation. This straightforward method is able to speed up the synthesis of encapsulation of metal nanoparticles in metal organic frameworks. (C) 2017 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000401594200069	Publication Date	2017-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 0300-9467	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	14	Open Access	OpenAccess
	Notes	; The authors would like to express their deep accolade to “State Key Laboratory of Advanced Technology for Materials Synthesis and Processing” for financial support. S.C. appreciates of the National Natural Science Foundation of China (303-41150231), the Fundamental Research Funds for the Central Universities (WUT: 2016IVA092) and the Research Fund for the Doctoral Program of Higher Education of China (471-40120222). N.G. thanks the Chinese Scholarship Council (CSC) for her Ph.D. study grant 2013GXZ985. Z.-Y. H and G. V.T. acknowledge the support from the EC Framework 7 program ESTEEM2 (Reference 312483). ;			Approved	Most recent IF: 6.216
	Call Number	UA @ lucian @ c:irua:144152			Serial	4686
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	Author	Neyts, E.C.; Ostrikov, K.(K.)
	Title	Nanoscale thermodynamic aspects of plasma catalysis			Type	A1 Journal article
	Year	2015	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	256	Issue	256	Pages	23-28
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000360085300004	Publication Date	2015-03-25
	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	14	Open Access
	Notes				Approved	Most recent IF: 4.636; 2015 IF: 3.893
	Call Number	c:irua:127409			Serial	2274
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	Author	Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
	Title	Tight-binding studio : a technical software package to find the parameters of tight-binding Hamiltonian			Type	A1 Journal article
	Year	2020	Publication	Computer Physics Communications	Abbreviated Journal	Comput Phys Commun
	Volume	254	Issue		Pages	107379-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present the Tight-Binding Studio (TB Studio) software package that calculates the different parameters of a tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations or semi-empirical band-structure theory. This will be helpful for scientists who are interested in studying electronic and optical properties of structures using Green's function theory within the tight-binding approximation. TB Studio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and the standard high performance OpenGL graphic library for real time plotting. TB Studio and its examples together with the tutorials are available for download from tight-binding.com. Program summary Program Title: Tight-Binding Studio Program Files doi:http://dx.doi.org/10.17632/j6x5mwzm2d.1 Licensing provisions: LGPL Programming language: C++ External routines: BLAS, LAPACK, LAPACKE, wxWidgets, OpenGL, MathGL Nature of problem: Obtaining Tight-Binding Hamiltonian from a set of Bloch energy bands obtained from first-principles calculations. Solution method: Starting from the simplified LCAO method, a tight-binding model in the two-center approximation is constructed. The Slater and Koster (SK) approach is used to calculate the parameters of the TB Hamiltonian. By using non-linear fitting approaches the optimal values of the SK parameters are obtained such that the TB energy eigenvalues are as close as possible to those from first-principles calculations. We obtain the expression for the Hamiltonian and the overlap matrix elements between the different orbitals of the different atoms in an orthogonal or non-orthogonal basis set. (C) 2020 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000541251200030	Publication Date	2020-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010-4655	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.3	Times cited	14	Open Access
	Notes	; This work was supported by the Methusalem program of the Flemish government, Belgium and M. Nakhaee was supported by a BOF-fellowship (UAntwerpen), Belgium. ;			Approved	Most recent IF: 6.3; 2020 IF: 3.936
	Call Number	UA @ admin @ c:irua:170149			Serial	6630
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	Author	Jacobs, K.; van Daele, B.; Leys, M.; Moerman, I.; Van Tendeloo, G.
	Title	Effect of growth interrupt and growth rate on MOVPE-grown InGaN/GaN MQW structures			Type	A1 Journal article
	Year	2003	Publication	Journal of crystal growth	Abbreviated Journal	J Cryst Growth
	Volume	248	Issue		Pages	498-502
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000180446900091	Publication Date	2002-12-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-0248;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.751	Times cited	14	Open Access
	Notes	was dubbel; dubbel eruit gehaald			Approved	Most recent IF: 1.751; 2003 IF: 1.414
	Call Number	UA @ lucian @ c:irua:54785			Serial	810
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	Author	Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J.
	Title	Ferrimagnetism as a consequence of cation ordering in the perovskite LaSr2Cr2SbO9			Type	A1 Journal article
	Year	2017	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	248	Issue		Pages	96-103
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A polycrystalline sample of LaSr2Cr2SbO9 has been synthesised using a standard ceramic method and characterized by x-ray and neutron diffraction, magnetometry and electron microscopy. The perovskite-related compound crystallises in the triclinic space group I1 with unit cell parameters of a=5.5344(6) angstrom, b=5.5562(5) angstrom, c=7.8292(7) angstrom, a=89.986(12)degrees, beta=90.350(5)degrees and gamma=89.926(9)degrees at room temperature. The two crystallographically-distinct, six-coordinate cation sites are occupied by Cr3+ and Sb5+ in ratios of 0.868(2):0.132(2) and 0.462(2):0.538(2). Ac and de magnetometry revealed that LaSr2Cr2SbO9 is ferrimagnetic below 150 K with a magnetisation of similar to 1.25 mu(B) per formula unit in 50 kOe at 5 K. Neutron diffraction showed that the cations on the two sites order in a G-type arrangement with a mean Cr3+ moment of 2.17(1) mu(B) at 5 K, consistent with a magnetisation of 1.32 mu(B) per formula unit.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000396386300012	Publication Date	2017-01-31
	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	14	Open Access	Not_Open_Access
	Notes	; Experiments at the ISIS Pulsed Neutron and Muon Source were supported by the STFC. We are grateful to I. da Silva for the assistance provided at ISIS and to the EPSRC for financial support under Grant EP/M018954/1. We also thank Diamond Light Source Ltd (EE13284) for the award of beamtime. ;			Approved	Most recent IF: 2.299
	Call Number	UA @ lucian @ c:irua:142413			Serial	4657
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	Author	Benito, P.; Monti, M.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al.
	Title	Improvement in the coating homogeneity in electrosynthesized Rh structured catalysts for the partial oxidation of methane			Type	A1 Journal article
	Year	2015	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	246	Issue		Pages	154-164
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The precipitation of Rh/Mg/Al and Rh/Al hydroxides on the surface of FeCrAlloy foams by a base electrogeneration method was investigated to improve the properties of the deposited film (homogeneity and composition) and therefore the performances of the structured catalysts, obtained by calcination, in the Catalytic Partial Oxidation of CH4 to syngas. The work focussed on decreasing current gradients within open-cell foam cylinders by increasing the number of electrical contacts from 1 to 3 points to promote a more homogeneous precipitation of the hydroxides. Electrochemical and catalytic tests as well as SEM/EDS and mu-XRFIXRD analyses allowed to correlate the effect of the number of electrical contact points with materials properties. Lastly, syntheses were performed on Pt plates to study the effect of the electrical behaviour and shape of the support on the composition of the film. A more homogeneous coating of the foam surface was achieved by adopting a configuration with 3 contact points since the reduction of nitrates and water molecules that generates the basic media in the vicinity of the support was enhanced. Layer thicknesses up to 5-15 mu m were deposited; however, the sequential precipitation of a film with composition closer to the expected one and a layer enriched in Al and Rh (outer layer) was not avoided. The improvement in the coating gave rise to enhanced performances for a sample prepared at -1.1 V for 3000 s. Contrarily, the low adherence of the outer layer in a sample prepared at -1.2 V for 2000 s during both calcination and catalytic tests may be responsible of the unexpected decrease in catalytic performances. The same sequential precipitation was observed by performing the syntheses on Pt plates, showing that the electrical nature the support did not play a key role on this phenomenon. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000349998300020	Publication Date	2014-10-31
	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	14	Open Access
	Notes	; The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. The authors thank D. Grolimund and C.N. Borca for assisting the mu XRF/XRD conducted experiments at MicroXAS Beamline of SLS Thanks are due to Porvair for supplying FeCrAlloy foams. ;			Approved	Most recent IF: 4.636; 2015 IF: 3.893
	Call Number	UA @ admin @ c:irua:124616			Serial	5656
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	Author	Frangis, N.; Van Tendeloo, G.; van Landuyt, J.; Muret, P.; Nguyen, T.T.A.
	Title	Structural characterisation of erbium silicide thin films of an Si(111) substrate			Type	A1 Journal article
	Year	1996	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	234	Issue	2	Pages	244-250
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	ErSi2-x films (x = 0.1-0.3) grown by co-evaporation at different deposition ratios have been characterised by transmission electron microscopy, electron diffraction and high resolution electron microscopy. A very good epitaxial growth relation with the Si substrate was deduced for a1 samples and observed phases. Different defect modulated structures are formed; they can be described as structural variants (orthorhombic or rhombohedral) of the basic structure. The modulated phases are related to deviations from stoichiometry similar to crystallographic shear structures. The ErSi1.9 material contains Si precipitates, illustrating the preference for the ErSi1.7 composition to be maintained.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1996TX65100020	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.999	Times cited	14	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:15451			Serial	3213
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	Author	Huvé, M.; Van Tendeloo, G.; Hervieu, M.; Maignan, A.; Raveau, B.
	Title	Structural and physical properties of the new superconductor Hg_0.5Pb_0.5Sr_4-xBaxCu₂(CO₃)O_7-\delta			Type	A1 Journal article
	Year	1994	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	231	Issue		Pages	15-20
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994PJ98200004	Publication Date	2002-10-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.942	Times cited	14	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:10035			Serial	3201
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	Author	Smits, M.; Huygh, D.; Craeye, B.; Lenaerts, S.
	Title	Effect of process parameters on the photocatalytic soot degradation on self-cleaning cementitious materials			Type	A1 Journal article
	Year	2014	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	230	Issue		Pages	250-255
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
	Abstract	Soot deposition has the negative ability to devalue the aesthetic appearance of buildings. Titanium dioxide applied on the building material is one way to counteract this problem as it provides air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation was described, but until now, little information was available about the influence of process parameters on the photocatalytic degradation efficiency. The influence of three process parameters was tested in this study, namely TiO2 concentration, soot concentration and water-to-cement ratio (WIC-ratio) of the mortar substrates. The results revealed 50 mu gTiO(2) cm(-2) is better to use on the cementitious materials than 250 mu gTiO(2) cm(-2). The soot concentrations occurring in real-world situations will not inhibit the photocatalyst to be activated by light. Furthermore, the photonic efficiency increases slightly for lower WIC-ratios. This can be of interest for structural building applications, since a lower WIC-ratio results in a lower porosity of the samples and consequently in an increase in mortar strength. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000333800300039	Publication Date	2013-10-31
	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	14	Open Access
	Notes	; This work was supported by a PhD grant (M. Smits) from the University of Antwerp. We would like to thank T. Tytgat for the scientific discussion and Evonik for delivering the materials used in the experiments. ;			Approved	Most recent IF: 4.636; 2014 IF: 3.893
	Call Number	UA @ admin @ c:irua:117142			Serial	5946
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	Author	Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
	Title	Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN₂ molecule			Type	A1 Journal article
	Year	1994	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	222	Issue		Pages	517-523
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994NN02600016	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	14	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10255			Serial	36
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	Author	Michel, K.H.
	Title	Sequence of orientational phase transitions in solid C₆₀			Type	A1 Journal article
	Year	1992	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	193	Issue		Pages	478-480
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1992HZ32900006	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	14	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:2971			Serial	2985
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	Author	Benito, P.; Nuyts, G.; Monti, M.; de Nolf, W.; Fornasari, G.; Janssens, K.; Scavetta, E.; Vaccari, A.
	Title	Stable Rh particles in hydrotalcite-derived catalysts coated on FeCrAlloy foams by electrosynthesis			Type	A1 Journal article
	Year	2015	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	179	Issue		Pages	321-332
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Rh-based structured catalysts for the Catalytic Partial Oxidation of CH4 to syngas were prepared by electrosynthesis of Rh/Mg/Al hydrotalcite-type compounds on FeCrAlloy foams and calcination. The effects of Rh content, total metal concentration, and partial replacement of Mg2+ by Ni2+ in the electrolytic solution on coating thickness, Rh speciation, metallic particle size, and catalytic activity were investigated by SEM/EDS, mu-XRF/XANES and tests under diluted and concentrated reaction conditions. The amount of Rh species, present as Mg (RhxAl1-x)(2)O-4, depended on the thickness of the electrosynthesised layer as well as the Rh particle size and dispersion. Smaller and more dispersed particles were obtained by decreasing the Rh concentration in the electrolytic solution from Rh/Mg/Al=11/70/19 to 5/70/25 and 2/70/28 atomic ratio% (a.r.%) and in thinner rather than thicker layers. Despite the improvement in metallic particles features, the CH4 conversion was negatively affected by the low amount of active sites in the coating, the high metal support interaction and possibly the oxidation of metallic particles and carbon formation. A larger amount of solid containing well dispersed Rh particles was deposited by increasing the total metal concentration from 0.03 M to 0.06 M with the Rh/Mg/Al=5/70/25 a.r.%, and the catalytic performances were enhanced. The partial replacement of Mg2+ by Ni2+ gave rise to a very active bimetallic Rh/Ni catalyst, CH4 conversion and selectivity to syngas were above 90%, however, it slightly deactivated with time-on-stream. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000359873800036	Publication Date	2015-05-19
	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	14	Open Access
	Notes	; The Authors acknowledge M. Salome for helping during the mu XRF/XANES experiments at ID21 Beamline of the ESRF, the Department of Structural Characterisation of CNR-IMM of Bologna for the access to the FEG-SEM facility and Dr F. Ospitali for the scientific support. Thanks are due to Farrel Lytle database for providing the necessary Rh metal spectrum (rhfoil.a99 in http:// ixs.iit.edu/data/FarrelLytledata/). The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, Italy) and the University of Bologna (FARB program) is gratefully acknowledged. ;			Approved	Most recent IF: 9.446; 2015 IF: 7.435
	Call Number	UA @ admin @ c:irua:127777			Serial	5846
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	Author	van der Burgt, M.; Thoen, P.; Herlach, F.; Peeters, F.M.; Harris, J.J.; Foxon, C.T.
	Title	The quantized Hall effect in pulsed magnetic fields			Type	A1 Journal article
	Year	1992	Publication	Physica: B	Abbreviated Journal	Physica B
	Volume	177	Issue		Pages	409-413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1992HP25000086	Publication Date	2002-10-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4526;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.319	Times cited	14	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:3026			Serial	2770
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	Author	Norén, L.; Ting, V.; Withers, R.L.; Van Tendeloo, G.
	Title	An electron and X-ray diffraction investigation of Ni_1+xTe₂ and Ni_1+xSe₂CdI₂/NiAs type solid solution phases			Type	A1 Journal article
	Year	2001	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	161	Issue	2	Pages	266-273
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000172466400012	Publication Date	2002-09-18
	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	14	Open Access
	Notes				Approved	Most recent IF: 2.299; 2001 IF: 1.614
	Call Number	UA @ lucian @ c:irua:54712			Serial	908
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	Author	Zanin, L.; Tomasi, N.; Rizzardo, C.; Gottardi, S.; Terzano, R.; Alfeld, M.; Janssens, K.; De Nobili, M.; Mimmo, T.; Cesco, S.
	Title	Iron allocation in leaves of Fe-deficient cucumber plants fed with natural Fe complexes			Type	A1 Journal article
	Year	2015	Publication	Physiologia plantarum	Abbreviated Journal	Physiol Plantarum
	Volume	154	Issue	1	Pages	82-94
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Iron (Fe) sources available for plants in the rhizospheric solution are mainly a mixture of complexes between Fe and organic ligands, including phytosiderophores (PS) and water-extractable humic substances (WEHS). In comparison with the other Fe sources, Fe-WEHS are more efficiently used by plants, and experimental evidences show that Fe translocation contributes to this better response. On the other hand, very little is known on the mechanisms involved in Fe allocation in leaves. In this work, physiological and molecular processes involved in Fe distribution in leaves of Fe-deficient Cucumis sativus supplied with Fe-PS or Fe-WEHS up to 5days were studied combining different techniques, such as radiochemical experiments, synchrotron micro X-ray fluorescence, real-time reverse transcription polymerase chain reaction and in situ hybridization. In Fe-WEHS-fed plants, Fe was rapidly (1day) allocated into the leaf veins, and after 5days, Fe was completely transferred into interveinal cells; moreover, the amount of accumulated Fe was much higher than with Fe-PS. This redistribution in Fe-WEHS plants was associated with an upregulation of genes encoding a ferric(III)-chelate reductase (FRO), a Fe2+ transporter (IRT1) and a natural resistance-associated macrophage protein (NRAMP). The localization of FRO and IRT1 transcripts next to the midveins, beside that of NRAMP in the interveinal area, may suggest a rapid and efficient response induced by the presence of Fe-WEHS in the extra-radical solution for the allocation in leaves of high amounts of Fe. In conclusion, Fe is more efficiently used when chelated to WEHS than PS and seems to involve Fe distribution and gene regulation of Fe acquisition mechanisms operating in leaves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353067500007	Publication Date	2014-10-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9317	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.33	Times cited	14	Open Access
	Notes	; Research was supported by grants from Italian MIUR (FIRB-Programma 'Futuro in Ricerca') and Free University of Bolzano (TN5056). Synchrotron experiments at HASYLAB were financially supported by the European Community-Research Infrastructure Action under the FP6 'Structuring the European Research Area' Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). We thank Karen Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ;			Approved	Most recent IF: 3.33; 2015 IF: 3.138
	Call Number	UA @ admin @ c:irua:132500			Serial	5678
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	Author	Goessens, C.; Schryvers, D.; van Landuyt, J.; Millan, A.; de Keyzer, R.
	Title	Electron microscopical investigation of AgBr needle crystals			Type	A1 Journal article
	Year	1995	Publication	Journal of crystal growth	Abbreviated Journal	J Cryst Growth
	Volume	151	Issue		Pages	335-341
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1995RE62100017	Publication Date	2003-05-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-0248;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.698	Times cited	14	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #
	Call Number	UA @ lucian @ c:irua:13163			Serial	941
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	Author	de Witte, H.; de Gendt, S.; Douglas, M.; Conard, T.; Kenis, K.; Mertens, P.W.; Vandervorst, W.; Gijbels, R.
	Title	Evaluation of time-of-flight secondary ion mass spectrometry for metal contamination monitoring on wafer surfaces			Type	A1 Journal article
	Year	2000	Publication	Journal of the electrochemical society	Abbreviated Journal	J Electrochem Soc
	Volume	147	Issue	5	Pages	13-17
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000087075200052	Publication Date	2002-07-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4651;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.259	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 3.259; 2000 IF: 2.293
	Call Number	UA @ lucian @ c:irua:34073			Serial	1089
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	Author	Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
	Title	Superposition of quantum and classical rotational motions in Sc₂C₂@C₈₄ fullerite			Type	A1 Journal article
	Year	2007	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	126	Issue	6	Pages	064304,1-15
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000244250200008	Publication Date	2007-02-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 2.965; 2007 IF: 3.044
	Call Number	UA @ lucian @ c:irua:63628			Serial	3381
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	Author	De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C.
	Title	Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111)			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	135305
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000374150200035	Publication Date	2016-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	14	Open Access	OpenAccess
	Notes	The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted);			Approved	Most recent IF: 2.068
	Call Number	c:irua:132897			Serial	4066
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	Author	Amini, M.N.; Leenaerts, O.; Partoens, B.; Lamoen, D.
	Title	Graphane- and fluorographene-based quantum dots			Type	A1 Journal article
	Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	117	Issue	31	Pages	16242-16247
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	With the help of first-principles calculations, we investigate graphane/fluorographene heterostructures with special attention for graphane and fluorographene-based quantum dots. Graphane and fluorographene have large electronic band gaps, and we show that their band structures exhibit a strong type-II alignment. In this way, it is possible to obtain confined electron states in fluorographene nanostructures by embedding them in a graphane crystal. Bound hole states can be created in graphane domains embedded in a fluorographene environment. For circular graphane/fluorographene quantum dots, localized states can be observed in the band gap if the size of the radii is larger than approximately 4 to 5 Å.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000323082300046	Publication Date	2013-07-15
	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	14	Open Access
	Notes	FWO; GOW; Hercules			Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:109457			Serial	1367
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	Author	Anaf, W.; Schalm, O.; Janssens, K.; De Wael, K.
	Title	Understanding the (in)stability of semiconductor pigments by a thermodynamic approach			Type	A1 Journal article
	Year	2015	Publication	Dyes and pigments	Abbreviated Journal	Dyes Pigments
	Volume	113	Issue		Pages	409-415
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	Several artists pigments are semiconductors. Some of these materials appear stable over time, whereas others already show remarkable signs of degradation after limited time periods. The (in)stability of these pigments can be understood using a thermodynamic approach. For several pigment-related materials, the thermodynamic oxidation and reduction potential (ϕox and ϕred) were determined and evaluated considering the absolute energy positions of the valence and conduction band edges and the water redox potentials. The positions of ϕox and ϕred can be used in a fast screening of the stability of semiconductor pigments towards photoinduced corrosion in an aqueous/humid environment. This theoretical approach corresponds well with experimental data on pigment permanence and degradation phenomena found in literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000346543200052	Publication Date	2014-09-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0143-7208	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.473	Times cited	14	Open Access
	Notes	; The authors acknowledge the funding from the Belspo S2-ART project (Belgian Federal Government) SD/RI/04A. ;			Approved	Most recent IF: 3.473; 2015 IF: 3.966
	Call Number	UA @ admin @ c:irua:118875			Serial	5885
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	Author	Cooper, D.; Denneulin, T.; Barnes, J.-P.; Hartmann, J.-M.; Hutin, L.; Le Royer, C.; Béché, A.; Rouvière, J.-L.
	Title	Strain mapping with nm-scale resolution for the silicon-on-insulator generation of semiconductor devices by advanced electron microscopy			Type	A1 Journal article
	Year	2012	Publication	Applied Physics Letters	Abbreviated Journal	Appl Phys Lett
	Volume	112	Issue		Pages	124505
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Strain engineering in the conduction channel is a cost effective method of boosting the performance in state-of-the-art semiconductor devices. However, given the small dimensions of these devices, it is difficult to quantitatively measure the strain with the required spatial resolution. Three different transmission electron microscopy techniques, high-angle annular dark field scanning transmission electron microscopy, dark field electron holography, and nanobeam electron diffraction have been applied to measure the strain in simple bulk and SOI calibration specimens. These techniques are then applied to different gate length SiGe SOI pFET devices in order to measure the strain in the conduction channel. For these devices, improved spatial resolution is required, and strain maps with spatial resolutions as good as 1 nm have been achieved. Finally, we discuss the relative advantages and disadvantages of using these three different techniques when used for strain measurement.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312829400128	Publication Date	2012-12-19
	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	14	Open Access
	Notes				Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:136433			Serial	4510
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	Author	Amin-Ahmadi, B.; Connétable, D.; Fivel, M.; Tanguy, D.; Delmelle, R.; Turner, S.; Malet, L.; Godet, S.; Pardoen, T.; Proost, J.; Schryvers, D.; Idrissi, H.
	Title	Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films			Type	A1 Journal article
	Year	2016	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	111	Issue	111	Pages	253-261
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000375812100027	Publication Date	2016-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	14	Open Access
	Notes	This work was carried out in the framework of the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. The support of the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations” for B. Amin-Ahmadi is also gratefully acknowledged. This work was granted access to the HPC resources of CALMIP (CICT Toulouse, France) under the allocations 2014-p0912 and 2014-p0749.			Approved	Most recent IF: 5.301
	Call Number	c:irua:132678			Serial	4054
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	Author	Nikolaev, A.V.; Prassides, K.; Michel, K.H.
	Title	Charge transfer and polymer phases in AC₆₀ (A=K, Rb, Cs) fullerides			Type	A1 Journal article
	Year	1998	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	108	Issue		Pages	4912-4923
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000072588400025	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 2.965; 1998 IF: 3.147
	Call Number	UA @ lucian @ c:irua:23985			Serial	338
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	Author	Vande Velde, C.; Bultinck, E.; Tersago, K.; van Alsenoy, C.; Blockhuys, F.
	Title	From anisole to 1,2,4,5-tetramethoxybenzene: theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring			Type	A1 Journal article
	Year	2007	Publication	International journal of quantum chemistry	Abbreviated Journal	Int J Quantum Chem
	Volume	107	Issue	3	Pages	670-679
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000242706900016	Publication Date	2006-10-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-7608;1097-461X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.92	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 2.92; 2007 IF: 1.368
	Call Number	UA @ lucian @ c:irua:60633			Serial	1279
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