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	Author	Gillis, S.; Jaykka, J.; Milošević, M.V.
	Title	Vortex states in mesoscopic three-band superconductors			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	2	Pages	024512
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000333653800001	Publication Date	2014-01-24
	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	26	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO). Critical remarks of Lucia Komendova are gratefully acknowledged. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:128885			Serial	4611
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	Author	Godoi, R.H.M.; Lima Bittencourt, A.V.; Hirata, P.Y.; Jafelicci Junior, M.; dos Reis Neto, J.M.; Van Grieken, R.
	Title	Characterization of the ionic and particulate systems in the reservoir			Type	H2 Book chapter
	Year	2014	Publication		Abbreviated Journal
	Volume		Issue		Pages	143-159 T2 - Reservoir eutrophication : preventive
	Keywords	H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	9781780406473	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:119046			Serial	7634
Permanent link to this record



	Author	Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M.
	Title	Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors			Type	A1 Journal article
	Year	2014	Publication	Journal of mathematical physics	Abbreviated Journal	J Math Phys
	Volume	55	Issue	4	Pages	041501
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000336084100001	Publication Date	2014-04-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2488;1089-7658;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.077	Times cited	6	Open Access
	Notes	; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ;			Approved	Most recent IF: 1.077; 2014 IF: 1.243
	Call Number	UA @ lucian @ c:irua:117728			Serial	2407
Permanent link to this record



	Author	Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S.
	Title	Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	6	Pages	063116
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341188700073	Publication Date	2014-08-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	12	Open Access
	Notes	FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:118333			Serial	2482
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	Author	Goris, B.
	Title	Advanced electron tomography : 3 dimensional structural characterisation of nanomaterials down to the atomic scale			Type	Doctoral thesis
	Year	2014	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Antwerpen	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:119017			Serial	71
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	Author	Goris, B.; Freitag, B.; Zanaga, D.; Bladt, E.; Altantzis, T.; Ringnalda, J.; Bals, S.
	Title	Towards quantitative EDX results in 3 dimensions			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	S:3	Pages	766-767
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos		Publication Date	2014-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access	OpenAccess
	Notes	335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:125381			Serial	3687
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	Author	Goris, B.; Guzzinati, G.; Fernández-López, C.; Pérez-Juste, J.; Liz-Marzán, L.M.; Trügler, A.; Hohenester, U.; Verbeeck, J.; Bals, S.; Van Tendeloo, G.
	Title	Plasmon mapping in Au@Ag nanocube assemblies			Type	A1 Journal article
	Year	2014	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	118	Issue	28	Pages	15356-15362
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Surface plasmon modes in metallic nanostructures largely determine their optoelectronic properties. Such plasmon modes can be manipulated by changing the morphology of the nanoparticles or by bringing plasmonic nanoparticle building blocks close to each other within organized assemblies. We report the EELS mapping of such plasmon modes in pure Ag nanocubes, Au@Ag coreshell nanocubes, and arrays of Au@Ag nanocubes. We show that these arrays enable the creation of interesting plasmonic structures starting from elementary building blocks. Special attention will be dedicated to the plasmon modes in a triangular array formed by three nanocubes. Because of hybridization, a combination of such nanotriangles is shown to provide an antenna effect, resulting in strong electrical field enhancement at the narrow gap between the nanotriangles.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000339368700031	Publication Date	2014-06-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	41	Open Access	OpenAccess
	Notes	Fwo; 246791 Countatoms; 278510 Vortex; 335078 Colouratom; 262348 Esmi ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 4.536; 2014 IF: 4.772
	Call Number	UA @ lucian @ c:irua:118099UA @ admin @ c:irua:118099			Serial	2644
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	Author	Goris, B.; Polavarapu, L.; Bals, S.; Van Tendeloo, G.; Liz-Marzán, L.M.
	Title	Monitoring galvanic replacement through three-dimensional morphological and chemical mapping			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	6	Pages	3220-3226
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Galvanic replacement reactions on metal nanoparticles are often used for the preparation of hollow nanostructures with tunable porosity and chemical composition, leading to tailored optical and catalytic properties. However, the precise interplay between the three-dimensional (3D) morphology and chemical composition of nanostructures during galvanic replacement is not always well understood as the 3D chemical imaging of nanoscale materials is still challenging. It is especially far from straightforward to obtain detailed information from the inside of hollow nanostructures using electron microscopy techniques such as SEM or TEM. We demonstrate here that a combination of state-of-the-art EDX mapping with electron tomography results in the unambiguous determination of both morphology transformation and elemental composition of nanostructures in 3D, during galvanic replacement of Ag nanocubes. This work provides direct and unambiguous experimental evidence toward understanding the galvanic replacement reaction. In addition, the powerful approach presented here can be applied to a wide range of nanoscale transformation processes, which will undoubtedly guide the development of novel nanostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000337337100038	Publication Date	2014-05-05
	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	120	Open Access	OpenAccess
	Notes	267867 Plasmaquo; 246791 Countatoms; 335078 Colouratom; 262348 Esmi; Fwo; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:116954			Serial	2189
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	Author	Goris, B.; Turner, S.; Bals, S.; Van Tendeloo, G.
	Title	Three-dimensional valency mapping in ceria nanocrystals			Type	A1 Journal article
	Year	2014	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	8	Issue	10	Pages	10878-10884
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Using electron tomography combined with electron energy loss spectroscopy (EELS), we are able to map the valency of the Ce ions in CeO2-x nanocrystals in three dimensions. Our results show a clear facet-dependent reduction shell at the surface of ceria nanoparticles; {111} surface facets show a low surface reduction, whereas at {001} surface facets, the cerium ions are more likely to be reduced over a larger surface shell. Our generic tomographic technique allows a full 3D data cube to be reconstructed, containing an EELS spectrum in each voxel. This possibility enables a three-dimensional investigation of a plethora of material-specific physical properties such as valency, chemical composition, oxygen coordination, or bond lengths, triggering the synthesis of nanomaterials with improved properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343952600126	Publication Date	2014-10-06
	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	85	Open Access	OpenAccess
	Notes	335078 Colouratom; 246791 Countatoms; Fwo; 312483 Esteem2; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 13.942; 2014 IF: 12.881
	Call Number	UA @ lucian @ c:irua:121219			Serial	3656
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	Author	Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G.
	Title	The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy			Type	A1 Journal article
	Year	2014	Publication	Physics of fluids	Abbreviated Journal	Phys Fluids
	Volume	26	Issue	5	Pages	051702
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Woodbury, N.Y.	Editor
	Language		Wos	000337103900002	Publication Date	2014-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1070-6631;1089-7666;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.232	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 2.232; 2014 IF: 2.031
	Call Number	UA @ lucian @ c:irua:118385			Serial	684
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	Author	Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
	Title	Effect of Bi bilayers on the topological states of Bi₂Se₃ : a first-principles study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	15	Pages	155124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343773200001	Publication Date	2014-10-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	30	Open Access
	Notes	; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:119527			Serial	800
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	Author	Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
	Title	Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	5	Pages	054106-54109
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332420900001	Publication Date	2014-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	5	Open Access
	Notes	Fwo; Hercules			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:114910			Serial	1487
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	Author	Grieten, E.; Caen, J.; Schryvers, D.
	Title	Optimal sample preparation to characterize corrosion in historical photographs with analytical TEM			Type	A1 Journal article
	Year	2014	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	20	Issue	5	Pages	1585-1590
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	An alternative focused ion beam preparation method is used for sampling historical photographs containing metallic nanoparticles in a polymer matrix. We use the preparation steps of classical ultra-microtomy with an alternative final sectioning with a focused ion beam. Transmission electron microscopy techniques show that the lamella has a uniform thickness, which is an important factor for analytical transmission electron microscopy. Furthermore, the method maintains the spatial distribution of nanoparticles in the soft matrix. The results are compared with traditional preparation techniques such as ultra-microtomy and classical focused ion beam milling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000345742900031	Publication Date	2014-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.891; 2014 IF: 1.877
	Call Number	UA @ lucian @ c:irua:118481			Serial	2484
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	Author	Grujić, M.M.; Tadić, M.Z.; Peeters, F.M.
	Title	Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	20	Pages	205408
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344915800009	Publication Date	2014-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	5	Open Access
	Notes	; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:122141			Serial	2497
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	Author	Grujić, M.M.; Tadić, M.Z.; Peeters, F.M.
	Title	Spin-valley filtering in strained graphene structures with artificially induced carrier mass and spin-orbit coupling			Type	A1 Journal article
	Year	2014	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	113	Issue	4	Pages	046601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interplay of massive electrons with spin-orbit coupling in bulk graphene results in a spin-valley dependent gap. Thus, a barrier with such properties can act as a filter, transmitting only opposite spins from opposite valleys. In this Letter we show that a strain induced pseudomagnetic field in such a barrier will enforce opposite cyclotron trajectories for the filtered valleys, leading to their spatial separation. Since spin is coupled to the valley in the filtered states, this also leads to spin separation, demonstrating a spin-valley filtering effect. The filtering behavior is found to be controllable by electrical gating as well as by strain.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000339620300013	Publication Date	2014-07-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	90	Open Access
	Notes	; This work was supported by the Serbian Ministry of Education, Science, and Technological Development, the Flemish Science Foundation (FWO-V1), and the Methusalem program of the Flemish government. ;			Approved	Most recent IF: 8.462; 2014 IF: 7.512
	Call Number	UA @ lucian @ c:irua:118731			Serial	3104
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	Author	Guzzinati, G.; Clark, L.; Béché, A.; Verbeeck, J.
	Title	Measuring the orbital angular momentum of electron beams			Type	A1 Journal article
	Year	2014	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	89	Issue		Pages	025803
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The recent demonstration of electron vortex beams has opened up the new possibility of studying orbital angular momentum (OAM) in the interaction between electron beams and matter. To this aim, methods to analyze the OAM of an electron beam are fundamentally important and a necessary next step. We demonstrate the measurement of electron beam OAM through a variety of techniques. The use of forked holographic masks, diffraction from geometric apertures, and diffraction from a knife edge and the application of an astigmatic lens are all experimentally demonstrated. The viability and limitations of each are discussed with supporting numerical simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000332224100014	Publication Date	2014-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	42	Open Access
	Notes	Vortex; FP7; Countatoms; ESTEEM2; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.925; 2014 IF: 2.808
	Call Number	UA @ lucian @ c:irua:114577UA @ admin @ c:irua:114577			Serial	1972
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	Author	Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M.
	Title	Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces			Type	A1 Journal article
	Year	2014	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	50	Issue	7	Pages	885-887
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000328884500036	Publication Date	2013-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345;1364-548X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 6.319; 2014 IF: 6.834
	Call Number	UA @ lucian @ c:irua:113733			Serial	2678
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	Author	Hamidi-Asl, E.; Daems, D.; De Wael, K.; Van Camp, G.; Nagels, L.J.
	Title	Concentration related response potentiometric titrations to study the interaction of small molecules with large biomolecules			Type	A1 Journal article
	Year	2014	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	86	Issue	24	Pages	12243-12249
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	In the present article, the utility of a special potentiometric titration approach for recognition and calculation of biomolecule/small molecule interactions is reported. This approach is fast, sensitive, reproducible and inexpensive in comparison to the other methods for the determination of the association constant values (Ka) and the interaction energies (ΔG). The potentiometric titration measurement is based on the use of a classical polymeric membrane indicator electrode in a solution of the small molecule ligand. The biomolecule is used as a titrant. The potential is measured versus a reference electrode and transformed to a concentration related signal over the entire concentration interval, also at low concentrations, where the mV (y-axis) versus logcanalyte (x-axis) potentiometric calibration curve is not linear. In the procedure, the Ka is calculated for the interaction of cocaine with a cocaine binding aptamer and with an anti-cocaine antibody. To study the selectivity and cross-reactivity, other oligonucleotides and aptamers are tested, as well as other small ligand molecules such as tetrakis (4-chlorophenyl)borate, metergoline, lidocaine, and bromhexine. The calculated Ka compared favorably to the value reported in the literature using SPR. The potentiometric titration approach called Concentration related Response Potentiometry, is used to study molecular interaction for 7 macromolecular target molecules and 4 small molecule ligands.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000346683900048	Publication Date	2014-11-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	10	Open Access
	Notes	; Financial support for this work was provided by the University of Antwerp by granting L.J.N., K.D.W, G.V.C., and Ronny Blust a POC interdisciplinary research project. ;			Approved	Most recent IF: 6.32; 2014 IF: 5.636
	Call Number	UA @ admin @ c:irua:120164			Serial	5548
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	Author	Hellar-Kihampa, H.; Potgieter-Vermaak, S.; De Wael, K.; Lugwisha, E.; van Espen, P.; Van Grieken, R.
	Title	Concentration profiles of metal contaminants in fluvial sediments of a rural-urban drainage basin in Tanzania			Type	A1 Journal article
	Year	2014	Publication	International journal of environmental analytical chemistry	Abbreviated Journal	Int J Environ An Ch
	Volume	94	Issue	1	Pages	77-98
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	This study investigated concentration profiles of trace, rare earth and platinum group metals in fluvial sediments from the Pangani river basin (43,650 km2), one of the largest river basins in Tanzania, to assess its environmental quality. Sediment samples were collected in two distinct seasons from 12 representative sites of diverse land-use practices and characterised by ICP-MS after optimised microwave digestion. Ecological risks were assessed by evaluation of pollution index and comparison with legislated sediment quality guidelines (SQG). The results revealed contamination by some trace metals (e.g. Pb, V, Cu, Cr, Ni, Cd, As, Co, Mn and Zn) in concentrations ranging from 0.7 to 2940 mg kg−1, and four rare earth elements (Y, Ce, Nd, Yb) in concentrations ranging from 0.9 (Yb) to 500 mg kg−1 dry weight (Ce), which significantly exceeded the estimated background values at some stations. Palladium was the only platinum group element that was detected in quantifiable concentrations (0.33.5 mg kg−1). Concentrations of some trace metals exceeded the SQGs at some localised areas. Principal component analysis and multivariate correlations indicated geochemical characteristics of the area as the major control of metal concentrations and spatial variability. Organic matter and clay contents also played a significant role in metal distributions. Assessment of land-use practices upstream of the sampling locations was used to trace potential anthropogenic sources of metal enrichments, where highest levels were found in areas close to urban centres and agricultural activities. The study provides baseline data for future monitoring programs, and highlights the need for more comprehensive analysis involving a wider spatio-temporal scale and ecotoxicological risk assessment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000329774500007	Publication Date	2013-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.208	Times cited	5	Open Access
	Notes	; The participants of this research gratefully acknowledge the financial support of the Belgian Development Agency (BTC). The contribution of the Pangani Basin Water Board (PBWB), especially Ms Arafa Maggidi in provision of valuable information and assistance with the sampling campaigns is greatly appreciated. We sincerely acknowledge the assistance of Mr. Elisa Dunstan Kiwelu of Ardhi University, Dar es Salaam, Tanzania in mapping the study area; Mr Peter Machibya of the Department of Geology, University of Dar es Salaam, Tanzania in sediment characterisation; and Dr Valentine Kayawe Mubiana of the Department of Biology, University of Antwerp in ICP-MS analysis. The contributions of six anonymous reviewers, which greatly improved the manuscript for this paper, are highly appreciated. ;			Approved	Most recent IF: 1.208; 2014 IF: 1.295
	Call Number	UA @ admin @ c:irua:109234			Serial	5547
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	Author	Hellemans, K.; Vincke, A.; Cagno, S.; Herremans, D.; De Clercq, W.; Janssens, K.
	Title	Composition and state of alteration of 18th-century glass finds found at the Cistercian nunnery of Clairefontaine, Belgium			Type	A1 Journal article
	Year	2014	Publication	Journal of archaeological science	Abbreviated Journal	J Archaeol Sci
	Volume	47	Issue		Pages	121-133
	Keywords	A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A hundred 18th-century glass fragments were recovered at the Clairefontaine monastery in the Belgian province of Luxembourg. They were analysed by a combination of SEM-EDX and LA-ICP-MS in order to determine their major composition as well as their trace element signature. Multivariate statistical methods such as hierarchical clustering and principal component analysis were used to divide the glass fragments into four main groups: potassium-rich glass, sodium-rich glass, potassium/lime-rich glass and high-lime-low-alkali glass. Within every group, not only a similarity in composition is observed, but also in colour, morphology and deterioration patterns. Potash glass fragments are the most abundant and show extensive deterioration; two classes of potash glass were identified: one similar to certain Central European glass compositions, while the other one, characterised by large variations in potash: lime ratio, may be attributed to local (regional) glass production. (C) 2014 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000339037300012	Publication Date	2014-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0305-4403	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.602	Times cited	12	Open Access
	Notes	; Archaeological fieldwork at Clairefontaine was directed by Prof. Dr. J. De Meulemeester (dagger) and financed by the Walloon Government. Post-excavation research is carried out within the framework of the PhD-project (FNR Luxembourg BFR06-80): “The material culture of Clairefontaine abbey”. This investigation was supported by the Interuniversity Attraction Poles Programme (Belgian Science Policy – IUAP VI/16) and by the HERCULES foundation. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ;			Approved	Most recent IF: 2.602; 2014 IF: 2.196
	Call Number	UA @ admin @ c:irua:118711			Serial	5536
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	Author	Heyer, S.; Janssen, W.; Turner, S.; Lu, Y.-G.; Yeap, W.S.; Verbeeck, J.; Haenen, K.; Krueger, A.
	Title	Toward deep blue nano hope diamonds : heavily boron-doped diamond nanoparticles			Type	A1 Journal article
	Year	2014	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	8	Issue	6	Pages	5757-5764
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The production of boron-doped diamond nanoparticles enables the application of this material for a broad range of fields, such as electrochemistry, thermal management, and fundamental superconductivity research. Here we present the production of highly boron-doped diamond nanoparticles using boron-doped CVD diamond films as a starting material. In a multistep milling process followed by purification and surface oxidation we obtained diamond nanoparticles of 1060 nm with a boron content of approximately 2.3 × 1021 cm3. Aberration-corrected HRTEM reveals the presence of defects within individual diamond grains, as well as a very thin nondiamond carbon layer at the particle surface. The boron K-edge electron energy-loss near-edge fine structure demonstrates that the B atoms are tetrahedrally embedded into the diamond lattice. The boron-doped diamond nanoparticles have been used to nucleate growth of a boron-doped diamond film by CVD that does not contain an insulating seeding layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000338089200039	Publication Date	2014-04-09
	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	71	Open Access
	Notes	the Research Foundation Flanders (FWO-Vlaanderen) (G.0555.10N;G.0568.10N; G.0456.12; G0044.13N and a postdoctoral scholarship for S.T.); EU FP7 through Marie Curie ITN “MATCON” (PITNGA-127 2009-238201)the Collaborative Project “DINAMO” (No. 245122) Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2.; esteem2_jra3			Approved	Most recent IF: 13.942; 2014 IF: 12.881
	Call Number	UA @ lucian @ c:irua:117599			Serial	3683
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	Author	Hoeks, C.; Azadi, H.; Khachak, P.R.; Troyo-Dieguez, E.; Van Passel, S.; Witlox, F.
	Title	Reforming land-tenure systems in South Africa : routes to socio-economic and agricultural sustainability			Type	A1 Journal article
	Year	2014	Publication	Development policy review	Abbreviated Journal
	Volume	32	Issue	6	Pages	647-674
	Keywords	A1 Journal article; Economics; Law
	Abstract	Given the historical development of land tenure in South Africa, the aim of this article is to examine the best routes to alleviate poverty and retain sustainable agriculture in the country. First, a theoretical framework is presented that relates land tenure to sustainability, and three historical periods (pre-colonial, colonial, and apartheid) are then considered to explain the changes in land tenure and their consequences. The progress and main limitations of post-apartheid land reform to approach agricultural sustainability and alleviate poverty are discussed. Based on the analysis, different possibilities for future land reform are elaborated, followed by some recommendations for future land-reform policies in South Africa.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000342755600001	Publication Date	2014-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	3	Open Access
	Notes	; ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:122509			Serial	6241
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	Author	Hoffman, B.M.; Lukoyanov, D.; Yang, Z.-Y.; Dean, D.R.; Seefeldt, L.C.
	Title	Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage			Type	A1 Journal Article
	Year	2014	Publication	Chemical Reviews	Abbreviated Journal	Chem. Rev.
	Volume	114	Issue	8	Pages	4041-4062
	Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	Ammonia is a crucial nutrient used for plant growth and as a building block in pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing non-fossil based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as H source for nitrogen fixation into NH3 by non-equilibrium plasma. The highest selectivity towards NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2014-04-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2665	ISBN		Additional Links
	Impact Factor		Times cited		Open Access
	Notes	We would like to thank Sylvia Dewilde (Department of Biomedical Sciences) for providing analytical equipment.			Approved	no
	Call Number	PLASMANT @ plasmant @			Serial	6337
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	Author	Hoogmartens, R.; Van Passel, S.; Van Acker, K.; Dubois, M.
	Title	Bridging the gap between LCA, LCC and CBA as sustainability assessment tools			Type	A1 Journal article
	Year	2014	Publication	Environmental Impact Assessment Review	Abbreviated Journal	Environ Impact Asses
	Volume	48	Issue		Pages	27-33
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Increasing interest in sustainability has led to the development of sustainability assessment tools such as Life Cycle Analysis (LCA), Life Cycle Costing (LCC) and Cost-Benefit Analysis (CBA). Due to methodological disparity of these three tools, conflicting assessment results generate confusion for many policy and business decisions. In order to interpret and integrate assessment results, the paper provides a framework that clarifies the connections and coherence between the included assessment methodologies. Building on this framework, the paper further focuses on key aspects to adapt any of the methodologies to full sustainability assessments. Aspects dealt with in the review are for example the reported metrics, the scope, data requirements, discounting, product- or project-related and approaches with respect to scarcity and labor requirements. In addition to these key aspects, the review shows that important connections exist: (i) the three tools can cope with social inequality, (ii) processes such as valuation techniques for LCC and CBA are common, (iii) Environmental Impact Assessment (EIA) is used as input in both LCA and CBA and (iv) LCA can be used in parallel with LCC. Furthermore, the most integrated sustainability approach combines elements of LCA and LCC to achieve the Life Cycle Sustainability Assessment (LCSA). The key aspects and the connections referred to in the review are illustrated with a case study on the treatment of end-of-life automotive glass. (C) 2014 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000340141900004	Publication Date	2014-05-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0195-9255	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.094	Times cited	93	Open Access
	Notes	; ;			Approved	Most recent IF: 3.094; 2014 IF: 2.400
	Call Number	UA @ admin @ c:irua:127542			Serial	6163
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	Author	Horzum, S.; Çakir, D.; Suh, J.; Tongay, S.; Huang, Y.-S.; Ho, C.-H.; Wu, J.; Sahin, H.; Peeters, F.M.
	Title	Formation and stability of point defects in monolayer rhenium disulfide			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	15	Pages	155433
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently, rhenium disulfide (ReS2) monolayers were experimentally extracted by conventional mechanical exfoliation technique from as-grown ReS2 crystals. Unlike the well-known members of transition metal dichalcogenides (TMDs), ReS2 crystallizes in a stable distorted-1T structure and lacks an indirect to direct gap crossover. Here we present an experimental and theoretical study of the formation, energetics, and stability of the most prominent lattice defects in monolayer ReS2. Experimentally, irradiation with 3-MeV He+2 ions was used to break the strong covalent bonds in ReS2 flakes. Photoluminescence measurements showed that the luminescence from monolayers is mostly unchanged after highly energetic a particle irradiation. In order to understand the energetics of possible vacancies in ReS2 we performed systematic first-principles calculations. Our calculations revealed that the formation of a single sulfur vacancy has the lowest formation energy in both Re and S rich conditions and a random distribution of such defects are energetically more preferable. Sulfur point defects do not result in any spin polarization whereas the creation of Re-containing point defects induce magnetization with a net magnetic moment of 1-3 mu B. Experimentally observed easy formation of sulfur vacancies is in good agreement with first-principles calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000337301200009	Publication Date	2014-04-28
	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	130	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the bilateral project FWO-TUBITAK, and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. was supported by a FWO Pegasus Long Marie Curie Fellowship. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:118410			Serial	1250
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	Author	Huang, S.-Z.; Jin, J.; Cai, Y.; Li, Y.; Tan, H.-Y.; Wang, H.-E.; Van Tendeloo, G.; Su, B.-L.
	Title	Engineering single crystalline Mn₃O₄ nano-octahedra with exposed highly active {011} facets for high performance lithium ion batteries			Type	A1 Journal article
	Year	2014	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	6	Issue	12	Pages	6819-6827
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Well shaped single crystalline Mn3O4 nano-octahedra with exposed highly active {011} facets at different particle sizes have been synthesized and used as anode materials for lithium ion batteries. The electrochemical results show that the smallest sized Mn3O4 nano-octahedra show the best cycling performance with a high initial charge capacity of 907 mA h g−1 and a 50th charge capacity of 500 mA h g−1 at a current density of 50 mA g−1 and the best rate capability with a charge capacity of 350 mA h g−1 when cycled at 500 mA g−1. In particular, the nano-octahedra samples demonstrate a much better electrochemical performance in comparison with irregular shaped Mn3O4 nanoparticles. The best electrochemical properties of the smallest Mn3O4 nano-octahedra are ascribed to the lower charge transfer resistance due to the exposed highly active {011} facets, which can facilitate the conversion reaction of Mn3O4 and Li owing to the alternating Mn and O atom layers, resulting in easy formation and decomposition of the amorphous Li2O and the multi-electron reaction. On the other hand, the best electrochemical properties of the smallest Mn3O4 nano-octahedra can also be attributed to the smallest size resulting in the highest specific surface area, which provides maximum contact with the electrolyte and facilitates the rapid Li-ion diffusion at the electrode/electrolyte interface and fast lithium-ion transportation within the particles. The synergy of the exposed {011} facets and the smallest size (and/or the highest surface area) led to the best performance for the Mn3O4 nano-octahedra. Furthermore, HRTEM observations verify the oxidation of MnO to Mn3O4 during the charging process and confirm that the Mn3O4 octahedral structure can still be partly maintained after 50 dischargecharge cycles. The high Li-ion storage capacity and excellent cycling performance suggest that Mn3O4 nano-octahedra with exposed highly active {011} facets could be excellent anode materials for high-performance lithium-ion batteries.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000337143900072	Publication Date	2014-04-09
	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	80	Open Access
	Notes				Approved	Most recent IF: 7.367; 2014 IF: 7.394
	Call Number	UA @ lucian @ c:irua:117076			Serial	1047
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	Author	Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D.
	Title	Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape			Type	A1 Journal article
	Year	2014	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	14	Issue	11	Pages	6257-6262
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000345723800036	Publication Date	2014-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	43	Open Access	OpenAccess
	Notes	Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot);			Approved	Most recent IF: 12.712; 2014 IF: 13.592
	Call Number	UA @ lucian @ c:irua:122209			Serial	490
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	Author	Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
	Title	Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide			Type	A1 Journal article
	Year	2014	Publication	Computational materials science	Abbreviated Journal	Comp Mater Sci
	Volume	95	Issue		Pages	579-591
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343781700077	Publication Date	2014-09-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0256;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.292	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 2.292; 2014 IF: 2.131
	Call Number	UA @ lucian @ c:irua:119409			Serial	682
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	Author	Idrissi, H.; Amin-Ahmadi, B.; Wang, B.; Schryvers, D.
	Title	Review on TEM analysis of growth twins in nanocrystalline palladium thin films : toward better understanding of twin-related mechanisms in high stacking fault energy metals			Type	A1 Journal article
	Year	2014	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	251	Issue	6	Pages	1111-1124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Various modes of transmission electron microscopy including aberration corrected imaging were used in order to unravel the fundamental mechanisms controlling the formation of growth twins and the evolution of twin boundaries under mechanical and hydrogen loading modes in nanocrystalline (nc) palladium thin films. The latter were produced by electron-beam evaporation and sputter deposition and subjected to uniaxial tensile deformation as well as hydriding/dehydriding cycles. The results show that the twins form by dissociation of grain boundaries. The coherency of Σ3{111} coherent twin boundaries considerably decreases with deformation due to dislocation/twin boundary interactions while Σ3{112} incoherent twin boundaries dissociate under hydrogen cycling into two-phase boundaries bounding a new and unstable 9R phase. The effect of these elementary mechanisms on the macroscopic behavior of the palladium films is discussed and compared to recent experimental and simulation works in the literature. The results provide insightful information to guide the production of well-controlled population of growth twins in high stacking fault energy nc metallic thin films. The results also indicate directions for further enhancement of the mechanical properties of palladium films as needed for instance in palladium-based membranes in hydrogen applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000337608600001	Publication Date	2014-02-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	7	Open Access
	Notes	Iap P7/21; Fwo G012012n			Approved	Most recent IF: 1.674; 2014 IF: 1.489
	Call Number	UA @ lucian @ c:irua:114580			Serial	2905
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	Author	Idrissi, H.; Kobler, A.; Amin-Ahmadi, B.; Coulombier, M.; Galceran, M.; Raskin, J.-P.; Godet, S.; Kuebel, C.; Pardoen, T.; Schryvers, D.
	Title	Plasticity mechanisms in ultrafine grained freestanding aluminum thin films revealed by in-situ transmission electron microscopy nanomechanical testing			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	104	Issue	10	Pages	101903
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In-situ bright field transmission electron microscopy (TEM) nanomechanical tensile testing and in-situ automated crystallographic orientation mapping in TEM were combined to unravel the elementary mechanisms controlling the plasticity of ultrafine grained Aluminum freestanding thin films. The characterizations demonstrate that deformation proceeds with a transition from grain rotation to intragranular dislocation glide and starvation plasticity mechanism at about 1% deformation. The grain rotation is not affected by the character of the grain boundaries. No grain growth or twinning is detected. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000333082800022	Publication Date	2014-03-12
	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	24	Open Access
	Notes				Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:116866			Serial	2649
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