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	Author	Lu, J.B.; Shi, H.; Sedlakova-Ignacova, S.; Espinoza, R.; Kopeček, J.; Sittner, P.; Bártová, B.; Schryvers, D.
	Title	Microstructure and precipitates in annealed Co₃₈Ni₃₃Al₂₉ ferromagnetic shape memory alloy			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	572	Issue		Pages	5-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Transmission electron microscopy was performed to investigate the microstructure and precipitates in the annealed Co38Ni33Al29 ferromagnetic shape memory alloy. Apart from the dendritic secondary phase in the austenite matrix, micron-sized (up to 100 μm) fcc-based precipitates with partial γ′ L12 ordering and containing none, one or three {1 1 1}p parallel twin planes were found. The orientation relationship between the precipitates and matrix was found to be KurdjumovSachs. STEMEDX analysis indicates that twinned and non-twinned precipitates are Co-rich and Al- and Ni-deficient with respect to the matrix and with a lower Co/Al ratio for the latter. The 3D morphologies of precipitates were reconstructed with focused ion beam/scanning electron microscope dual-beam slice-and-view imaging, showing that the single {1 1 1}p plane twinned precipitates have a plate-like shape while the non-twinned precipitates are lath-like and often bent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319209600002	Publication Date	2013-04-02
	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	3.133	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:107914			Serial	2058
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	Author	Trofimova, E.Y.; Kurdyukov, D.A.; Yakovlev, S.A.; Kirilenko, D.A.; Kukushkina, Y.A.; Nashchekin, A.V.; Sitnikova, A.A.; Yagovkina, M.A.; Golubev, V.G.
	Title	Monodisperse spherical mesoporous silica particles : fast synthesis procedure and fabrication of photonic-crystal films			Type	A1 Journal article
	Year	2013	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	24	Issue	15	Pages	155601-155611
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A procedure for the synthesis of monodisperse spherical mesoporous silica particles (MSMSPs) via the controlled coagulation of silica/surfactant clusters into spherical aggregates with mean diameters of 250-1500 nm has been developed. The synthesis is fast (taking less than 1 h) because identical clusters are simultaneously formed in the reaction mixture. The results of microscopic, x-ray diffraction, adsorption and optical measurements allowed us to conclude that the clusters are similar to 15 nm in size and have hexagonally packed cylindrical pore channels. The channel diameters in MSMSPs obtained with cethyltrimethylammonium bromide and decyltrimethylammonium bromide as structure-directing agents were 3.1 +/- 0.15 and 2.3 +/- 0.12 nm, respectively. The specific surface area and the pore volume of MSMSP were, depending on synthesis conditions, 480-1095 m(2) g(-1) and 0.50-0.65 cm(3) g(-1). The MSMSP were used to grow opal-like photonic-crystal films possessing a hierarchical macro-mesoporous structure, with pores within and between the particles. A selective filling of mesopore channels with glycerol, based on the difference between the capillary pressures in macro- and mesopores, was demonstrated. It is shown that this approach makes it possible to control the photonic bandgap position in mesoporous opal films by varying the degree of mesopore filling with glycerol. Online supplementary data available from stacks.iop.org/Nano/24/155601/mmedia
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000316988700009	Publication Date	2013-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484;1361-6528;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.44; 2013 IF: 3.672
	Call Number	UA @ lucian @ c:irua:108462			Serial	2191
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	Author	Cao, S.; Ke, C.B.; Zhang, X.P.; Schryvers, D.
	Title	Morphological characterization and distribution of autocatalytic-grown Ni₄Ti₃ precipitates in a Ni-Ti single crystal			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	577	Issue	S:1	Pages	215-218
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The 3D size, morphology and distribution of autocatalytic-grown Ni4Ti3 precipitates in a Ni51Ti49 single crystal were characterized via a FIB/SEM Slice-and-View procedure and phase-field simulation. Important parameters on size and shape of the precipitates were measured. The pair distribution function and the minimum distance between two precipitates from different variants were calculated to describe the 3D distribution of the autocatalytic-grown Ni4Ti3 precipitates in single crystal Ni-Ti, with a comparison to the polycrystalline Ni50.8Ti49.2 alloy. Phase-field simulation was conducted to study the nucleation behavior of precipitates in the single crystal Ni-Ti. (C) 2012 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000329891400045	Publication Date	2012-02-16
	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	3.133	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:114831			Serial	2203
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	Author	Zhang, J.; Ke, X.; Gou, G.; Seidel, J.; Xiang, B.; Yu, P.; Liang, W.I.; Minor, A.M.; Chu, Y.h.; Van Tendeloo, G.; Ren, X.; Ramesh, R.;
	Title	A nanoscale shape memory oxide			Type	A1 Journal article
	Year	2013	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	4	Issue		Pages	2768-8
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Stimulus-responsive shape-memory materials have attracted tremendous research interests recently, with much effort focused on improving their mechanical actuation. Driven by the needs of nanoelectromechanical devices, materials with large mechanical strain, particularly at nanoscale level, are therefore desired. Here we report on the discovery of a large shape-memory effect in bismuth ferrite at the nanoscale. A maximum strain of up to ~14% and a large volumetric work density of ~600±90 J cm−3 can be achieved in association with a martensitic-like phase transformation. With a single step, control of the phase transformation by thermal activation or electric field has been reversibly achieved without the assistance of external recovery stress. Although aspects such as hysteresis, microcracking and so on have to be taken into consideration for real devices, the large shape-memory effect in this oxide surpasses most alloys and, therefore, demonstrates itself as an extraordinary material for potential use in state-of-art nanosystems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000328023900006	Publication Date	2013-11-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	67	Open Access
	Notes	Countatoms			Approved	Most recent IF: 12.124; 2013 IF: 10.742
	Call Number	UA @ lucian @ c:irua:111431			Serial	2271
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	Author	Zhukova, A.A.; Rumyantseva, M.N.; Zaytsev, V.B.; Zaytseva, A.V.; Abakumov, A.M.; Gaskov, A.M.
	Title	Pd nanoparticles on SnO₂(Sb) whiskers : aggregation and reactivity in CO detection			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	565	Issue		Pages	6-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Single crystal antimony-doped SnO2 whiskers have been synthesized by in situ doping process in horizontal flow reactor. The produced whiskers were modified with 0.1, 0.2, 0.5, 1 or 2 wt.% Pd. The processes of Pd particles growth and aggregation are described on the base of AFM and STEM data. Depending on the content of introduced Pd precursor, the various mechanisms (Volmer-Weber or Stranski-Krastanov) of Pd nanoparticles growth realize. The dependence of sensor signal to CO on Pd concentration has non-monotonous character determined by the size of Pd nanoparticles and their aggregation degree. The best sensor signal toward CO was observed for whiskers decorated with 0.1 wt.% Pd. This concentration corresponds to the presence of individual 3-5 nm Pd nanoparticles on the surface of the whiskers. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000317815300002	Publication Date	2013-03-13
	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	3.133	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:108424			Serial	2566
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	Author	Schryvers, D.; Cao, S.; Pourbabak; Shi, H.; Lu
	Title	Recent EM investigations on nano-and micro-defect structures in SMAs			Type	A1 Journal article
	Year	2013	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	577	Issue	s:[1]	Pages	S705-S709
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The present contribution reviews some recent electron microscopy investigations on different shape memory systems in which a variety of nano- and micro-defect structures play an essential role in the functional behaviour of the material. (NiTi3)-Ti-4 precipitates in Ni-Ti are a well-known example for which the focus is now on the 3D configurations, in Ni-Ti-Nb Nb-rich nanoprecipitates are thought to have a large impact on the hysteresis, in Co-Ni-Al an Al-enriched zone nearby the y'-precipitates yields a small sandwiched austenite while some first signs of quasidynamical lattice deformation in non-frozen Ni-Ti strain glass are measured by Cs-aberration-corrected transmission electron microscopy. (C) 2011 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Elsevier science sa	Place of Publication	Lausanne	Editor
	Language		Wos	000329891400146	Publication Date	2011-11-10
	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	3.133	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 3.133; 2013 IF: 2.726
	Call Number	UA @ lucian @ c:irua:114832			Serial	2839
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	Author	Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.;
	Title	Role of PdO_x and RuO_y clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase			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	45	Pages	23858-23867
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000327110500046	Publication Date	2013-10-04
	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	20	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:112706			Serial	2924
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	Author	Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H.
	Title	Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets			Type	A1 Journal article
	Year	2013	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	68	Issue	5	Pages	233-236
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000314012000003	Publication Date	2012-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	6	Open Access
	Notes	Fwo			Approved	Most recent IF: 3.747; 2013 IF: 2.968
	Call Number	UA @ lucian @ c:irua:105288			Serial	3277
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	Author	Sree, S.P.; Dendooven, J.; Masschaele, K.; Hamed, H.M.; Deng, S.; Bals, S.; Detavernier, C.; Martens, J.A.
	Title	Synthesis of uniformly dispersed anatase nanoparticles inside mesoporous silica thin films via controlled breakup and crystallization of amorphous TiO₂ deposited using atomic layer deposition			Type	A1 Journal article
	Year	2013	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	5	Issue	11	Pages	5001-5008
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Amorphous titanium dioxide was introduced into the pores of mesoporous silica thin films with 75% porosity and 12 nm average pore diameter via Atomic Layer Deposition (ALD) using alternating pulses of tetrakis(dimethylamino)titanium and water. Calcination provoked fragmentation of the deposited amorphous TiO2 phase and its crystallization into anatase nanoparticles inside the nanoporous film. The narrow particle size distribution of 4 ± 2 nm and the uniform dispersion of the particles over the mesoporous silica support were uniquely revealed using electron tomography. These anatase nanoparticle bearing films showed photocatalytic activity in methylene blue degradation. This new synthesis procedure of the anatase nanophase in mesoporous silica films using ALD is a convenient fabrication method of photocatalytic coatings amenable to application on very small as well as very large surfaces
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000319008700056	Publication Date	2013-04-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	22	Open Access
	Notes	Fwo; Iap-Pai; Erc			Approved	Most recent IF: 7.367; 2013 IF: 6.739
	Call Number	UA @ lucian @ c:irua:108774			Serial	3460
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	Author	Groeneveld, E.; Witteman, L.; Lefferts, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C.
	Title	Tailoring ZnSe-CdSe colloidal quantum dots via cation exchange : from core/shell to alloy nanocrystals			Type	A1 Journal article
	Year	2013	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	7	Issue	9	Pages	7913-7930
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	We report a study of Zn2+ by Cd2+ cation exchange (CE) in colloidal ZnSe nanocrystals (NCs). Our results reveal that CE in ZnSe NCs is a thermally activated isotropic process. The CE efficiency (i.e., fraction of Cd2+ ions originally in solution, Cdsol, that is incorporated in the ZnSe NC) increases with temperature and depends also on the Cdsol/ZnSe ratio. Interestingly, the reaction temperature can be used as a sensitive parameter to tailor both the composition and the elemental distribution profile of the product (Zn,Cd)Se NCs. At 150 °C ZnSe/CdSe core/shell hetero-NCs (HNCs) are obtained, while higher temperatures (200 and 220 °C) produce (Zn1xCdx)Se gradient alloy NCs, with increasingly smoother gradients as the temperature increases, until homogeneous alloy NCs are obtained at T ≥ 240 °C. Remarkably, sequential heating (150 °C followed by 220 °C) leads to ZnSe/CdSe core/shell HNCs with thicker shells, rather than (Zn1xCdx)Se gradient alloy NCs. Thermal treatment at 250 °C converts the ZnSe/CdSe core/shell HNCs into (Zn1xCdx)Se homogeneous alloy NCs, while preserving the NC shape. A mechanism for the cation exchange in ZnSe NCs is proposed, in which fast CE takes place at the NC surface, and is followed by relatively slower thermally activated solid-state cation diffusion, which is mediated by Frenkel defects. The findings presented here demonstrate that cation exchange in colloidal ZnSe NCs provides a very sensitive tool to tailor the nature and localization regime of the electron and hole wave functions and the optoelectronic properties of colloidal ZnSeCdSe NCs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000330016900051	Publication Date	2013-08-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	153	Open Access
	Notes	262348 Esmi; 246791 Countatoms			Approved	Most recent IF: 13.942; 2013 IF: 12.033
	Call Number	UA @ lucian @ c:irua:110038			Serial	3469
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	Author	Idrissi, H.; Renard, K.; Schryvers, D.; Jacques, P.J.
	Title	TEM investigation of the formation mechanism of deformation twins in Fe-Mn-Si-Al TWIP steels			Type	A1 Journal article
	Year	2013	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume	93	Issue	35	Pages	4378-4391
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The microstructure of a Fe-Mn-Si-Al twinning-induced plasticity (TWIP) steel exhibiting remarkable work hardening rate under uniaxial tensile deformation was investigated using transmission electron microscopy to uncover the mechanism(s) controlling the nucleation and growth of the mechanically induced twins. The results show that the stair-rod cross-slip deviation mechanism is necessary for the formation of the twins, while large extrinsic stacking faults homogenously distributed within the grains could act as preferential sources for the activation of the deviation process. The influence of such features on the thickness and strength of the twins and the resulting mechanical behaviour is discussed and compared to similar works recently performed on Fe-Mn-C TWIP steels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000327478300005	Publication Date	2013-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435;1478-6443;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.505	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 1.505; 2013 IF: 1.427
	Call Number	UA @ lucian @ c:irua:112815			Serial	3478
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	Author	Goris, B.; de Backer, A.; Van Aert, S.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G.; Bals, S.
	Title	Three-dimensional elemental mapping at the atomic scale in bimetallic nanocrystals			Type	A1 Journal article
	Year	2013	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	13	Issue	9	Pages	4236-4241
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A thorough understanding of the three-dimensional (3D) atomic structure and composition of coreshell nanostructures is indispensable to obtain a deeper insight on their physical behavior. Such 3D information can be reconstructed from two-dimensional (2D) projection images using electron tomography. Recently, different electron tomography techniques have enabled the 3D characterization of a variety of nanostructures down to the atomic level. However, these methods have all focused on the investigation of nanomaterials containing only one type of chemical element. Here, we combine statistical parameter estimation theory with compressive sensing based tomography to determine the positions and atom type of each atom in heteronanostructures. The approach is applied here to investigate the interface in coreshell Au@Ag nanorods but it is of great interest in the investigation of a broad range of nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000330158900043	Publication Date	2013-08-16
	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	90	Open Access
	Notes	FWO; 246791 COUNTATOMS; 267867 PLASMAQUO; 262348 ESMI; 312483 ESTEEM2; Hercules 3; esteem2_jra4			Approved	Most recent IF: 12.712; 2013 IF: 12.940
	Call Number	UA @ lucian @ c:irua:110036			Serial	3650
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	Author	Skaltsas, T.; Ke, X.; Bittencourt, C.; Tagmatarchis, N.
	Title	Ultrasonication induces oxygenated species and defects onto exfoliated graphene			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	44	Pages	23272-23278
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The effect of ultrasonication parameters, such as time and power applied, to exfoliate graphite in o-dichlorobenzene (o-DCB) and N-methyl-1,2-pyrrolidone (NMP) was examined. It was found that the concentration of graphene was higher in o-DCB, while its dispersibility was increased when sonication was applied for a longer period and/or at higher power. However, spectroscopic examination by X-ray photoelectron spectroscopy (XPS) revealed that ultrasonication causes defects and induces oxygen functional groups in the form of carboxylic acids and ethers/epoxides onto the graphene lattice. Additional proof for the latter arose from Raman, IR, and thermogravimetry studies. The carboxylic acids and ethers/epoxides onto exfoliated graphene were derived from air during ultrasonication and found independent of the solvent used for the exfoliation and the power and/or time ultrasonication applied. Quantitative evaluation of the amount of oxygenated species present on exfoliated graphene as performed by high-resolution XPS revealed that the relative oxygen percentage was higher when exfoliation was performed in NMP. Finally, the sonication time and/or power affected the oxygen content on exfoliated graphene, since extended ultrasonication resulted in a decrease in the oxygen content on exfoliated graphene, with a simultaneous increase of defected sp(3) carbon atoms.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000326845400090	Publication Date	2013-10-03
	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	65	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:112710			Serial	3797
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	Author	Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M.
	Title	Boron nitride mono layer : a strain-tunable nanosensor			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	25	Pages	13261-13267
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000321236400041	Publication Date	2013-06-03
	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	38	Open Access
	Notes	; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ;			Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:109829			Serial	249
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	Author	Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A.
	Title	Towards CMOS-compatible single-walled carbon nanotube resonators			Type	A1 Journal article
	Year	2013	Publication	Microelectronic engineering	Abbreviated Journal	Microelectron Eng
	Volume	107	Issue		Pages	219-222
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000319855800040	Publication Date	2012-07-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0167-9317;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.806	Times cited	6	Open Access
	Notes	; ;			Approved	Most recent IF: 1.806; 2013 IF: 1.338
	Call Number	UA @ lucian @ c:irua:109260			Serial	3685
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	Author	Akbulut, S.; Krupinska, B.; Worobiec, A.; Čevik, U.; Taskin, H.; Van Grieken, R.; Samek, L.; Wiłkojć, E.
	Title	Gross alpha and beta activities of airborne particulate samples from Wawel Royal Castle Museum in Cracow, Poland			Type	A1 Journal article
	Year	2013	Publication	Journal of radioanalytical and nuclear chemistry	Abbreviated Journal
	Volume	295	Issue	2	Pages	1567-1573
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	Soils are complex mixtures of organic, inorganic materials, and metal compounds from anthropogenic sources. In order to identify the pollution sources, their magnitude and development, several X-ray analytical methods were applied in this study. The concentrations of 16 elements were determined in all the soil samples using energy dispersive X-ray fluorescence spectrometry. Soils of unknown origin were observed by scanning electron microscopy equipped with a Si(Li) X-ray detector using Monte Carlo simulation approach. The mineralogical analyses were carried out using X-ray diffraction spectrometry. Due to the correlations between heavy metals and oxide compounds, the samples were analyzed also by electron probe microanalyzer (EPMA) in order to have information about their oxide contents. On the other hand, soil pH and salinity levels were identified owing to their influence between heavy metal and soil-surface chemistry. Moreover, the geoaccumulation index (I geo) enables the assessment of contamination by comparing current and pre-industrial concentrations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000313713300105	Publication Date	2012-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0236-5731; 1588-2780	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:106763			Serial	8012
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	Author	Palacios, O.M.; van Meel, K.; Van Grieken, R.; Marcó P., L.-M.; Vázquez, C.
	Title	Characterization of black volcanites from the Limay river basin, Patagonia, Argentina, using energy dispersive X-ray fluorescence spectrometry : an aid to infer human group mobility			Type	A1 Journal article
	Year	2013	Publication	Journal of radioanalytical and nuclear chemistry	Abbreviated Journal
	Volume	298	Issue	2	Pages	1245-1255
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The investigation of hunter-gatherers archaeological sites in the Limay river basin, Patagonia, Argentina, raised questions concerning the lithic technology. The chemical characterization of artifacts, rocks and possible sources of provenances could help to elucidate the hunter-gatherer mobility. In three archaeological sitesRincón Chico 2 (RCh2/87; 14C 710 ± 60 BP), Cueva Traful I (CTI; 14C 9430 ± 230 BP) and Casa de Piedra de Ortega (CPO; 14C 2840 ± 80 BP), tools and debitage or discarded flakes made in black volcanic rock have been found. Nearby an extensive rock outcrop of black volcanite, Paso Limay quarry (CPL), with similar characteristics was located. Samples coming from these four sites were analyzed by energy dispersive X-ray fluorescence spectrometry. This characterization allowed the geochemical classification of the lithic material and to correlate the samples with the suspected source after a previous statistical analysis. The majority of the samples were classified as dacites and rhyolites. Only samples coming from CPO site, the closest place to CPL were made exclusively with the quarry rocks. A set of five samples from RCh2/87 and two samples from CTI appear to have same chemical composition as CPL in spite of this site is placed in the opposite bank of the Limay river suggesting that hunter-gatherers could accede to the quarry, eventually. Finally, only a set of five samples coming from RCh2/87 and CTI do not group with the quarry. This fact evidences the existence of secondary sources of supply. The information of this research allowed inferring ancient human mobility patterns in the region.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000325624300061	Publication Date	2013-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0236-5731; 1588-2780	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:109743			Serial	7619
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	Author	Zwozdziak, A.; Sowka, I.; Krupińska, B.; Zwozdziak, J.; Nych, A.
	Title	Infiltration or indoor sources as determinants of the elemental composition of particulate matter inside a school in Wroclaw, Poland?			Type	A1 Journal article
	Year	2013	Publication	Building and environment	Abbreviated Journal
	Volume	66	Issue		Pages	173-180
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Children's exposure to air pollution requires a focus on air quality in places where they spend most time, e.g. in schools. Therefore, understanding how indoor elemental concentrations relate the outdoor ones is necessary to create healthy indoor school environment. The aims of this study were to examine the elemental composition of particulate matter (PM1, PM2.5, PM10) in the school and also to investigate to what degree indoor elemental concentrations are affected by outdoor air or generated inside the school. The measurements were performed inside and outside the public school building in the centre of the city. It was observed that concentrations of most elements were higher at school than outside. The dominant elements in PM1 both indoors and outdoors were S, Cl, K, and Zn. PM2.5 and PM10 fractions inside the school were clearly enriched in elements of mineral origin, additionally S, Zn, K and Cl were also present in high concentrations both indoors and outdoors. Results suggested that a significant contribution to indoor Zn, Pb and S concentrations in the PM2.5 fraction was from penetration of outdoor air. 88%, 80% and 90% of the observed total variations in indoor concentrations of Zn, Pb, and S were explained by the linear relationship between indoor and outdoor concentrations. The lack of correlation between indoor and outdoor concentrations obtained for Si, Ca, Ti, Sr indicated that these metals were more likely to originate from indoor sources. (C) 2013 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000321423500017	Publication Date	2013-05-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-1323	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:109788			Serial	8087
Permanent link to this record



	Author	Komulainen, S.; Verlackt, C.; Pursiainen, J.; Lajunen, M.
	Title	Oxidation and degradation of native wheat starch by acidic bromate in water at room temperature			Type	A1 Journal article
	Year	2013	Publication	Carbohydrate Polymers	Abbreviated Journal	Carbohyd Polym
	Volume	93	Issue	1	Pages	73-80
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract	Native wheat starch was oxidized by benign acidic bromate in water at room temperature. HPLC-ELSD study indicated that starch degraded in the course of oxidation but it still had a polymeric structure characterized by H-1, C-13, HSQC and HMBC NMR measurements. Products were generally water-soluble fragments but the use of a short reaction time and dilute reaction mixture yielded water-insoluble products. Titration of the products showed, that the increase of the starch content and reaction time increased the content of carbonyl and carboxyl groups in the range of 0.5-2.5% and 1.7-17.2%, respectively, in the product fragments. A mechanism for the oxidation reaction was proposed. (C) 2012 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000316512900011	Publication Date	2012-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0144-8617;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.811	Times cited	32	Open Access
	Notes				Approved	Most recent IF: 4.811; 2013 IF: 3.916
	Call Number	UA @ lucian @ c:irua:108288			Serial	2537
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	Author	Shuhui Sun, Gaixia Zhang, Nicolas Gauquelin, Ning Chen, Jigang Zhou, Songlan Yang, Weifeng Chen, Xiangbo Meng, Dongsheng Geng, Mohammad N. Banis, Ruying Li, Siyu Ye, Shanna Knights, Gianluigi A. Botton, Tsun-Kong Sham & Xueliang Sun
	Title	Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition			Type	A1 Journal Article
	Year	2013	Publication	Scientific Reports	Abbreviated Journal
	Volume	3	Issue		Pages	1775
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000318334300004	Publication Date	2013-05-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	345	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4543
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	Author	H. Zhang, N. Gauquelin, G.A. Botton and J.Y.T. Wei
	Title	Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially induced CuO intergrowths			Type	A1 Journal Article
	Year	2013	Publication	Applied Physics Letters	Abbreviated Journal
	Volume	103	Issue		Pages	052606
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	We examine the effect of CuO intergrowths on the superconductivity in epitaxial La 2/3 Ca 1/3 MnO 3 / YBa 2 Cu 3 O 7−δ La2/3Ca1/3MnO3/YBa2Cu3O7−δ (LCMO/YBCO) thin-film heterostructures. Scanning transmission electron microscopy on bilayer LCMO/YBCO thin films revealed double CuO-chain intergrowths which form regions with the 247 lattice structure in the YBCO layer. These nanoscale 247 regions do not appear in x-ray diffraction, but can physically account for the reduced critical temperature (Tc) of bilayer thin films relative to unilayer films with the same YBCO thickness, at least down to ∼25 nm. We attribute the CuO intergrowths to the bilayer heteroepitaxial mismatch and the Tc reduction to the generally lower Tc seen in bulk 247 samples. These epitaxially-induced CuO intergrowths provide a microstructural mechanism for the attenuation of superconductivity in LCMO/YBCO heterostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322723000063	Publication Date	2013-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	12	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4546
Permanent link to this record



	Author	L. Zhang, J. Kim, J. Zhang, F. Nan, N. Gauquelin, G.A. Botton, P. He, R. Bashyam, S. Knights
	Title	Ti4O7 supported Ru@Pt core–shell catalyst for CO-tolerance in PEM fuel cell hydrogen oxidation reaction			Type	A1 Journal Article
	Year	2013	Publication	Applied Energy	Abbreviated Journal
	Volume	103	Issue	March 2013	Pages	507-513
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	A new method is developed for synthesizing Ti4O7 supported Ru@Pt core–shell catalyst (Ru@Pt/Ti4O7) through pyrolysis followed by microwave irradiation. The purpose is to improve the Ru durability of PtRu from core–shell structure and strong bonding to Ti4O7 oxide. In this method, the first step is to co-reduce the mixture of ruthenium precursor and TiO2 in a H2 reducing atmosphere under heat-treatment to obtain a Ru core on Ti4O7 support, and the second step is to create a shell of platinum via microwave irradiation. Energy dispersive X-ray spectrometry, X-ray Diffraction, High-resolution Scanning Transmission Electron Microscopy with the high-angle annular dark-field method and Electron Energy-Loss Spectroscopy are used to demonstrate that this catalyst with larger particles has a core–shell structure with a Ru core and a Pt shell. Electrochemical measurements show Ru@Pt/Ti4O7 catalyst has a higher CO-tolerance capability than that of PtRu/C alloy catalyst.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314669500048	Publication Date	2012-11-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links
	Impact Factor		Times cited	33	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	EMAT @ emat @			Serial	4547
Permanent link to this record



	Author	Goris, B.; Roelandts, T.; Batenburg, K.J.; Heidari Mezerji, H.; Bals, S.
	Title	Advanced reconstruction algorithms for electron tomography : from comparison to combination			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	127	Issue		Pages	40-47
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	In this work, the simultaneous iterative reconstruction technique (SIRT), the total variation minimization (TVM) reconstruction technique and the discrete algebraic reconstruction technique (DART) for electron tomography are compared and the advantages and disadvantages are discussed. Furthermore, we describe how the result of a three dimensional (3D) reconstruction based on TVM can provide objective information that is needed as the input for a DART reconstruction. This approach results in a tomographic reconstruction of which the segmentation is carried out in an objective manner.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000316659100007	Publication Date	2012-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	63	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:101217			Serial	72
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	Author	Wang, A.; Turner, S.; Van Aert, S.; van Dyck, D.
	Title	An alternative approach to determine attainable resolution directly from HREM images			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	133	Issue		Pages	50-61
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000324471800007	Publication Date	2013-05-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.843	Times cited		Open Access
	Notes	FWO; Hercules; Esteem2; esteem2_jra2			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109919			Serial	90
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	Author	den Dekker, A.J.; Gonnissen, J.; de Backer, A.; Sijbers, J.; Van Aert, S.
	Title	Estimation of unknown structure parameters from high-resolution (S)TEM images : what are the limits?			Type	A1 Journal article
	Year	2013	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	134	Issue		Pages	34-43
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Statistical parameter estimation theory is proposed as a quantitative method to measure unknown structure parameters from electron microscopy images. Images are then purely considered as data planes from which structure parameters have to be determined as accurately and precisely as possible using a parametric statistical model of the observations. For this purpose, an efficient algorithm is proposed for the estimation of atomic column positions and intensities from high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. Furthermore, the so-called CramérRao lower bound (CRLB) is reviewed to determine the limits to the precision with which continuous parameters such as atomic column positions and intensities can be estimated. Since this lower bound can only be derived for continuous parameters, alternative measures using the principles of detection theory are introduced for problems concerning the estimation of discrete parameters such as atomic numbers. An experimental case study is presented to show the practical use of these measures for the optimization of the experiment design if the purpose is to decide between the presence of specific atom types using STEM images.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000324474900006	Publication Date	2013-06-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	31	Open Access
	Notes	FWO; FP 2007-2013; Esteem2; esteem2_jra2			Approved	Most recent IF: 2.843; 2013 IF: 2.745
	Call Number	UA @ lucian @ c:irua:109240			Serial	1083
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	Author	Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V.
	Title	Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization			Type	A1 Journal article
	Year	2013	Publication	Journal of colloid and interface science	Abbreviated Journal	J Colloid Interf Sci
	Volume	391	Issue		Pages	36-44
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312039000006	Publication Date	2012-10-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9797;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.233	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 4.233; 2013 IF: 3.552
	Call Number	UA @ lucian @ c:irua:101757			Serial	506
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	Author	Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B.
	Title	Perovskite transparent conducting oxides : an ab initio study			Type	A1 Journal article
	Year	2013	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	25	Issue	41	Pages	415503
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000324920400011	Publication Date	2013-09-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	17	Open Access
	Notes	FWO;Hercules			Approved	Most recent IF: 2.649; 2013 IF: 2.223
	Call Number	UA @ lucian @ c:irua:110495			Serial	2574
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	Author	Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Erratum : First-principles study of possible shallow donors in ZnAl₂O₄ spinel [Phys. Rev. B 87, 174101 (2013)]			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	88	Issue	5	Pages	059905-2
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000323572600009	Publication Date	2013-08-27
	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	1	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:110015			Serial	1080
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	Author	Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	First-principles study of possible shallow donors in ZnAl₂O₄ spinel			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	87	Issue	17	Pages	174101-174107
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000318653300001	Publication Date	2013-05-08
	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	50	Open Access
	Notes	Iwt; Fwo			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:108769			Serial	1219
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	Author	Dixit, H.; Lamoen, D.; Partoens, B.
	Title	Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions			Type	A1 Journal article
	Year	2013	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	25	Issue	3	Pages	035501-35505
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000313100500010	Publication Date	2012-12-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	7	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.649; 2013 IF: 2.223
	Call Number	UA @ lucian @ c:irua:105296			Serial	2801
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