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	Author	Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Water on graphene: hydrophobicity and dipole moment using density functional theory			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	79	Issue	23	Pages	235440,1-235440,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000267699500147	Publication Date	2009-06-29
	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	292	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77693			Serial	3904
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	Author	Batenburg, K.J.; Bals, S.; Sijbers, J.; Kübel, C.; Midgley, P.A.; Hernandez, J.C.; Kaiser, U.; Encina, E.R.; Coronado, E.A.; Van Tendeloo, G.
	Title	3D imaging of nanomaterials by discrete tomography			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	6	Pages	730-740
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The field of discrete tomography focuses on the reconstruction of samples that consist of only a few different materials. Ideally, a three-dimensional (3D) reconstruction of such a sample should contain only one grey level for each of the compositions in the sample. By exploiting this property in the reconstruction algorithm, either the quality of the reconstruction can be improved significantly, or the number of required projection images can be reduced. The discrete reconstruction typically contains fewer artifacts and does not have to be segmented, as it already contains one grey level for each composition. Recently, a new algorithm, called discrete algebraic reconstruction technique (DART), has been proposed that can be used effectively on experimental electron tomography datasets. In this paper, we propose discrete tomography as a general reconstruction method for electron tomography in materials science. We describe the basic principles of DART and show that it can be applied successfully to three different types of samples, consisting of embedded ErSi2 nanocrystals, a carbon nanotube grown from a catalyst particle and a single gold nanoparticle, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000265816400005	Publication Date	2009-02-01
	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	220	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:74665 c:irua:74665			Serial	12
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	Author	Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Guitián, F.; Yoshimura, M.
	Title	An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis			Type	A1 Journal article
	Year	2009	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
	Volume	9	Issue	1	Pages	466-474
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000262332700073	Publication Date	2008-11-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1528-7483;1528-7505;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.055	Times cited	183	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 4.055; 2009 IF: 4.162
	Call Number	UA @ lucian @ c:irua:75740			Serial	853
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	Author	Van Aert, S.; Verbeeck, J.; Erni, R.; Bals, S.; Luysberg, M.; van Dyck, D.; Van Tendeloo, G.
	Title	Quantitative atomic resolution mapping using high-angle annular dark field scanning transmission electron microscopy			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	10	Pages	1236-1244
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	A model-based method is proposed to relatively quantify the chemical composition of atomic columns using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. The method is based on a quantification of the total intensity of the scattered electrons for the individual atomic columns using statistical parameter estimation theory. In order to apply this theory, a model is required describing the image contrast of the HAADF STEM images. Therefore, a simple, effective incoherent model has been assumed which takes the probe intensity profile into account. The scattered intensities can then be estimated by fitting this model to an experimental HAADF STEM image. These estimates are used as a performance measure to distinguish between different atomic column types and to identify the nature of unknown columns with good accuracy and precision using statistical hypothesis testing. The reliability of the method is supported by means of simulated HAADF STEM images as well as a combination of experimental images and electron energy-loss spectra. It is experimentally shown that statistically meaningful information on the composition of individual columns can be obtained even if the difference in averaged atomic number Z is only 3. Using this method, quantitative mapping at atomic resolution using HAADF STEM images only has become possible without the need of simultaneously recorded electron energy loss spectra.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000270015200004	Publication Date	2009-05-28
	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	166	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:78585UA @ admin @ c:irua:78585			Serial	2748
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	Author	Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Adsorption of small molecules on graphene			Type	A1 Journal article
	Year	2009	Publication	Microelectronics journal	Abbreviated Journal	Microelectron J
	Volume	40	Issue	4/5	Pages	860-862
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Luton	Editor
	Language		Wos	000265870200058	Publication Date	2008-12-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-2692;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.163	Times cited	116	Open Access
	Notes				Approved	Most recent IF: 1.163; 2009 IF: 0.778
	Call Number	UA @ lucian @ c:irua:77030			Serial	65
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	Author	Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	24	Pages	245422,1-245422,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000273229200126	Publication Date	2009-12-21
	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	113	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:80578			Serial	1535
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	Author	Figuerola, A.; Franchini, I.R.; Fiore, A.; Mastria, R.; Falqui, A.; Bertoni, G.; Bals, S.; Van Tendeloo, G.; Kudera, S.; Cingolani, R.; Manna, L.
	Title	End-to-end assembly of shape-controlled nanocrystals via a nanowelding approach mediated by gold domains			Type	A1 Journal article
	Year	2009	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	21	Issue	5	Pages	550-554
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Welding nanocrystals for assembly: The welding of Au domains grown on the tips of shape-controlled cadmium chalcogenide colloidal nanocrystals is used as a strategy for their assembly. Iodine-induced coagulation of selectively grown Au domains leads to assemblies such as flowerlike structures based on bullet-shaped nanocrystals, linear and cross-linked chains of nanorods, and globular networks with tetrapods as building blocks.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000263371800005	Publication Date	2008-11-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	110	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 19.791; 2009 IF: 8.379
	Call Number	UA @ lucian @ c:irua:75960			Serial	1037
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	Author	Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
	Title	Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	19	Pages	195401,1-195401,11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	It is known that a perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum which is tunable by the gate voltage. Here we consider a system of graphene multilayers in the presence of a positively charged top and a negatively charged back gate to control independently the density of electrons on the graphene layers and the Fermi energy of the system. The band structure of three- and four-layer graphene systems in the presence of the top and back gates is obtained using a tight-binding approach. A self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We predict that for opposite and equal charges on the top and bottom layers an energy gap is opened at the Fermi level. For an even number of layers this gap is larger than in the case of an odd number of graphene layers. We find that the circular asymmetry of the spectrum, which is a consequence of the trigonal warping, changes the size of the induced electronic gap, even when the total density of the induced electrons on the graphene layers is low.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000272311000087	Publication Date	2009-11-10
	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	106	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:80315			Serial	883
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	Author	Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
	Title	Electric field tuning of the band gap in graphene multilayers			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	79	Issue	3	Pages	035421,1-035421,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum. This gap is tunable by the gate voltage and its size depends on the number of layers. We use a tight-binding approach to calculate the band structure and include a self-consistent calculation in order to obtain the density of charge carriers. Results are presented for systems consisting of three and four layers of graphene. The effect of the circular asymmetry of the band structure on the gap is critically examined.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000262978200119	Publication Date	2009-01-30
	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	106	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:75984			Serial	887
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	Author	Shabalovskaya, S.A.; Tian, H.; Anderegg, J.W.; Schryvers, D.U.; Carroll, W.U.; van Humbeeck, J.
	Title	The influence of surface oxides on the distribution and release of nickel from Nitinol wires			Type	A1 Journal article
	Year	2009	Publication	Biomaterials	Abbreviated Journal	Biomaterials
	Volume	30	Issue	4	Pages	468-477
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The patterns of Ni release from Nitinol vary depending on the type of material (NiTi alloys with low or no processing versus commercial wires or sheets). A thick TiO2 layer generated on the wire surface during processing is often considered as a reliable barrier against Ni release. The present study of Nitinol wires with surface oxides resulting from production was conducted to identify the sources of Ni release and its distribution in the surface sublayers. The chemistry and topography of the surfaces of Nitinol wires drawn using different techniques were studied with XPS and SEM. The distribution of Ni into surface depth and the surface oxide thickness were evaluated using Auger spectroscopy, TEM with FIB and ELNES. Ni release was estimated using either ICPA or AAS. Potentiodynamic potential polarization of selected wires was performed in as-received state with no strain and in treated strained samples. Wire samples in the as-received state showed low breakdown potentials (200 mV); the improved corrosion resistance of these wires after treatment was not affected by strain. It is shown how processing techniques affect surface topography, chemistry and also Ni release. Nitinol wires with the thickest surface oxide TiO2 (up to 720 nm) showed the highest Ni release, attributed to the presence of particles of essentially pure Ni whose number and size increased while approaching the interface between the surface and the bulk. The biological implications of high and lasting Ni release are also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Guildford	Editor
	Language		Wos	000262065500006	Publication Date	2008-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0142-9612;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.402	Times cited	102	Open Access
	Notes	Fwo; G.0465.05			Approved	Most recent IF: 8.402; 2009 IF: 7.365
	Call Number	UA @ lucian @ c:irua:72320			Serial	1641
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	Author	Turner, S.; Lebedev, O.I.; Shenderova, O.; Vlasov, I.I.; Verbeeck, J.; Van Tendeloo, G.
	Title	Determination of size, morphology, and nitrogen impurity location in treated detonation nanodiamond by transmission electron microscopy			Type	A1 Journal article
	Year	2009	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	19	Issue	13	Pages	2116-2124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Size, morphology, and nitrogen impurity location, all of which are all thought to be related to the luminescent properties of detonation nanodiamonds, are determined in several detonation nanodiamond samples using a combination of transmission electron microscopy techniques. Results obtained from annealed and cleaned detonation nanodiamond samples are compared to results from conventionally purified detonation nanodiamond. Detailed electron energy loss spectroscopy combined with model-based quantification provides direct evidence for the sp3 like embedding of nitrogen impurities into the diamond cores of all the studied nanodiamond samples. Simultaneously, the structure and morphology of the cleaned detonation nanodiamond particles are studied using high resolution transmission electron microscopy. The results show that the size and morphology of detonation nanodiamonds can be modified by temperature treatment and that by applying a special cleaning procedure after temperature treatment, nanodiamond particles with clean facets almost free from sp2 carbon can be prepared. These clean facets are clear evidence that nanodiamond cores are not necessarily in coexistence with a graphitic shell of non-diamond carbon.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000268297800012	Publication Date	2009-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;1616-3028;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	100	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 12.124; 2009 IF: 6.990
	Call Number	UA @ lucian @ c:irua:78261UA @ admin @ c:irua:78261			Serial	674
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	Author	Esken, D.; Zhang, X.; Lebedev, O.I.; Schröder, F.; Fischer, R.A.
	Title	Pd@MOF-5: limitations of gas-phase infiltration and solution impregnation of [Zn₄O(bdc)₃] (MOF-5) with metalorganic palladium precursors for loading with Pd nanoparticles			Type	A1 Journal article
	Year	2009	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	19	Issue	9	Pages	1314-1319
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The limitations of the loading of the porous metalorganic framework [Zn4O(bdc)3] (bdc = benzene-1,4-dicarboxylate; MOF-5 or IRMOF-1) with Pd nanoparticles was investigated. First, the volatile organometallic precursor [Pd(5-C5H5)(3-C3H5)] was employed to get the inclusion compound [Pd(5-C5H5)(3-C3H5)]x@MOF-5 via gas-phase infiltration at 10-3 mbar. A loading of four molecules of [Pd(5-C5H5)(3-C3H5)] per formula unit of MOF-5 (x = 4) can be reached (35 wt.% Pd). Second, the metalorganic precursor [Pd(acac)2] (acac = 2,4-pentanedionate) was used and the inclusion materials [Pd(acac)2]x@MOF-5 of different Pd loadings were obtained by incipient wetness infiltration. However, the maximum loading was lower as compared with the former case with about two precursor molecules per formula unit of MOF-5. Both loading routes are suitable for the synthesis of Pd nanoparticles inside the porous host matrix. Homogeneously distributed nanoparticles with diameter of 2.4(±0.2) nm can be achieved by photolysis of the inclusion compounds [Pd(5-C5H5)(3-C3H5)]x@MOF-5 (x 4), while the hydrogenolysis of [Pd(acac)2]x@MOF-5 (x 2) leads to a mixture of small particles inside the network (< 3 nm) and large Pd agglomerates (40 nm) on the outer surface of the MOF-5 specimens. The pure Pdx@MOF-5 materials proved to be stable under hydrogen pressure (2 bar) at 150 °C over many hours. Neither hydrogenation of the bdc linkers nor particle growth was observed. The new composite materials were characterized by 1H/13C-MAS-NMR, powder XRD, ICP-AES, FT-IR, N2 sorption measurements and high resolution TEM. Raising the Pd loading of a representative sample Pd4@MOF-5 (35 wt.% Pd) by using [Pd(5-C5H5)(3-C3H5)] as precursor in a second cycle of gas-phase infiltration and photolysis was accompanied by the collapse of the long-range crystalline order of the MOF.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000263450300015	Publication Date	2009-01-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	100	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:76318			Serial	2565
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	Author	Vlasov, I.I.; Barnard, A.S.; Ralchenko, V.G.; Lebedev, O.I.; Kanzyuba, M.V.; Saveliev, A.V.; Konov, V.I.; Goovaerts, E.
	Title	Nanodiamond photoemitters based on strong narrow-band luminescence from silicon-vacancy defects			Type	A1 Journal article
	Year	2009	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	21	Issue	7	Pages	808-812
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Nanostructured and organic optical and electronic materials (NANOrOPT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000263737800012	Publication Date	2008-12-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;1521-4095;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	98	Open Access
	Notes				Approved	Most recent IF: 19.791; 2009 IF: NA
	Call Number	UA @ lucian @ c:irua:74513			Serial	2253
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	Author	Michel, K.H.; Verberck, B.
	Title	Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	22	Pages	224301,1-224301,10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000273228500045	Publication Date	2009-12-21
	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	96	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:80576			Serial	3616
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	Author	Barbier, M.; Vasilopoulos, P.; Peeters, F.M.
	Title	Dirac electrons in a Kronig-Penney potential: dispersion relation and transmission periodic in the strength of the barriers			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	20	Pages	205415,1-205415,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The transmission T and conductance G through one or multiple one-dimensional, ä-function barriers of two-dimensional fermions with a linear energy spectrum are studied. T and G are periodic functions of the strength P of the ä-function barrier V(x,y)/ℏvF=Pä(x). The dispersion relation of a Kronig-Penney (KP) model of a superlattice is also a periodic function of P and causes collimation of an incident electron beam for P=2ðn and n integer. For a KP superlattice with alternating sign of the height of the barriers the Dirac point becomes a Dirac line for P=(n+1/2)ð.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000272311400101	Publication Date	2009-12-04
	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	93	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:80316			Serial	707
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	Author	Hamelet, S.; Gibot, P.; Casas-Cabanas, M.; Bonnin, D.; Grey, C.P.; Cabana, J.; Leriche, J.B.; Rodriguez-Carvajal, J.; Courty, M.; Levasseur, S.; Carlach, P.; Van Thournout, M.; Tarascon, J.M.; Masquelier, C.;
	Title	The effects of moderate thermal treatments under air on LiFePO₄-based nano powders			Type	A1 Journal article
	Year	2009	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	19	Issue	23	Pages	3979-3991
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The thermal behavior under air of LiFePO(4)-based powders was investigated through the combination of several techniques such as temperature-controlled X-ray diffraction, thermogravimetric analysis and Mossbauer and NMR spectroscopies. The reactivity with air at moderate temperatures depends on the particle size and leads to progressive displacement of Fe from the core structure yielding nano-size Fe(2)O(3) and highly defective, oxidized Li(x)Fe(y)PO(4) compositions whose unit-cell volume decreases dramatically when the temperature is raised between 400 and 600 K. The novel LiFePO(4)-like compositions display new electrochemical reactivity when used as positive electrodes in Li batteries. Several redox phenomena between 3.4 V and 2.7 V vs. Li were discovered and followed by in-situ X-ray diffraction, which revealed two distinct solid solution domains associated with highly anisotropic variations of the unit-cell constants.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000266615800024	Publication Date	2009-05-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	93	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:94582			Serial	867
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	Author	van der Snickt, G.; Dik, J.; Cotte, M.; Janssens, K.; Jaroszewicz, J.; de Nolf, W.; Groenewegen, J.; van der Loeff, L.
	Title	Characterization of a degraded cadmium yellow (CdS) pigment in an oil painting by means of synchrotron radiation based X-ray techniques			Type	A1 Journal article
	Year	2009	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	81	Issue	7	Pages	2600-2610
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	On several paintings of James Ensor (1860−1949), a gradual fading of originally bright yellow areas, painted with the pigment cadmium yellow (CdS), is observed. Additionally, in some areas exposed to light, the formation of small white-colored globules on top of the original paint surface is observed. In this paper the chemical transformation leading to the color change and to the formation of the globules is elucidated. Microscopic X-ray absorption near-edge spectroscopy (ì-XANES) experiments show that sulfur, originally present in sulfidic form (S2−), is oxidized during the transformation to the sulfate form (S6+). Upon formation (at or immediately below the surface), the highly soluble cadmium sulfate is assumed to be transported to the surface in solution and reprecipitates there, forming the whitish globules. The presence of cadmium sulfate (CdSO4·2H2O) and ammonium cadmium sulfate [(NH4)2Cd(SO4)2] at the surface is confirmed by microscopic X-ray diffraction measurements, where the latter salt is suspected to result from a secondary reaction of cadmium sulfate with ammonia. Measurements performed on cross sections reveal that the oxidation front has penetrated into the yellow paint down to ca. 1−2 ìm. The morphology and elemental distribution of the paint and degradation product were examined by means of scanning electron microscopy equipped with an energy-dispersive spectrometer (SEM-EDS) and synchrotron radiation based micro-X-ray fluorescence spectrometry (SR ì-XRF). In addition, ultraviolet-induced visible fluorescence photography (UIVFP) revealed itself to be a straightforward technique for documenting the occurrence of this specific kind of degradation on a macroscale by painting conservators.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000264759400025	Publication Date	2009-03-11
	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	91	Open Access
	Notes				Approved	Most recent IF: 6.32; 2009 IF: 5.214
	Call Number	UA @ admin @ c:irua:76415			Serial	5501
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	Author	Lin, K.; Pescarmona, P.P.; Houthoofd, K.; Liang, D.; Van Tendeloo, G.; Jacobs, P.A.
	Title	Direct room-temperature synthesis of methyl-functionalized Ti-MCM-41 nanoparticles and their catalytic performance in epoxidation			Type	A1 Journal article
	Year	2009	Publication	Journal of catalysis	Abbreviated Journal	J Catal
	Volume	263	Issue	1	Pages	75-82
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Methyl-functionalized Ti-MCM-41 nanoparticles with a size of 80 to 160 nm (Me-Ti-MCM-41 NP) were directly prepared via a dilute solution route by the co-condensation of tetraethoxysilane and methylalkoxysilanes in sodium hydroxide medium at room temperature. The characterization results showed the existence of ordered hexagonal mesoporous structure and tetrahedral Ti species in the nanoparticles. In the epoxidation of cyclohexene with tert-butyl hydroperoxide and aqueous H2O2, Me-Ti-MCM-41 NP samples displayed higher turnover frequencies (TOFs) for cyclohexene and initial reaction rates compared to Ti-MCM-41 and methyl-functionalized Ti-MCM-41 with normal particle size and to non-functionalized Ti-MCM-41 nanoparticles. Simultaneously, a higher selectivity for cyclohexene epoxide was observed in the case of aqueous H2O2, suggesting that the hydrolysis of cyclohexene epoxide with water is reduced on Me-Ti-MCM-41 NP samples. The improved catalytic behavior of Me-Ti-MCM-41 NP is discussed both in terms of the nanosize and methylation of the surface of the catalyst particles. The regeneration of Me-Ti-MCM-41 NP with tert-butyl hydroperoxide solution was evaluated via washing and calcination approaches.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	San Diego, Calif.	Editor
	Language		Wos	000265000800008	Publication Date	2009-02-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9517;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.844	Times cited	89	Open Access
	Notes	Iwt; Iap; Goa			Approved	Most recent IF: 6.844; 2009 IF: 5.288
	Call Number	UA @ lucian @ c:irua:76395			Serial	720
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	Author	Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
	Title	Magnetic Kronig-Penney model for Dirac electrons in single-layer graphene			Type	A1 Journal article
	Year	2009	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	11	Issue		Pages	095009,1-095009,21
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	he properties of Dirac electrons in a magnetic superlattice (SL) on graphene consisting of very high and thin (δ-function) barriers are investigated. We obtain the energy spectrum analytically and study the transmission through a finite number of barriers. The results are contrasted with those for electrons described by the Schrödinger equation. In addition, a collimation of an incident beam of electrons is obtained along the direction perpendicular to that of the SL. We also highlight an analogy with optical media in which the refractive index varies in space.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000270513500008	Publication Date	2009-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.786	Times cited	89	Open Access
	Notes				Approved	Most recent IF: 3.786; 2009 IF: 3.312
	Call Number	UA @ lucian @ c:irua:79241			Serial	1884
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	Author	Idrissi, H.; Ryelandt, L.; Veron, M.; Schryvers, D.; Jacques, P.J.
	Title	Is there a relationship between the stacking fault character and the activated mode of plasticity of FeMn-based austenitic steels?			Type	A1 Journal article
	Year	2009	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	60	Issue	11	Pages	941-944
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By changing the testing temperature, an austenitic FeMnAlSi alloy presents either å-martensite transformation or mechanical twinning during straining. In order to understand the nucleation and growth mechanisms involved in both phenomena, defects and particularly stacking faults, were characterized by transmission electron microscopy. It is observed that the character of the stacking faults also changes (from extrinsic to intrinsic) together with the temperature and the activated mode of plasticity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000265359900005	Publication Date	2009-02-10
	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	84	Open Access
	Notes	Iap			Approved	Most recent IF: 3.747; 2009 IF: 2.949
	Call Number	UA @ lucian @ c:irua:77276			Serial	1751
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	Author	Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
	Title	Tunneling, conductance, and wavevector filtering through magnetic barriers in bilayer graphene			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	79	Issue	3	Pages	035409,1-035409,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We evaluate the transmission and conductance through magnetic barrier structures in bilayer graphene. In particular we consider a magnetic step, single and double barriers, -function barriers, as well as barrier structures that have average magnetic field equal to zero. The transmission depends strongly on the direction of the incident electron or hole wavevector and gives the possibility to construct a direction-dependent wavevector filter. The results contrast sharply with previous results on single-layer graphene. In general, the angular range of perfect transmission becomes drastically wider and the gaps narrower. This perfect transmission range decreases with the number of barriers, the barrier width, and the magnetic field. Depending on the structure, a variety of transmission resonances occur that are reflected in the conductance through the structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000262978200107	Publication Date	2009-01-14
	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	80	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:75983			Serial	3762
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	Author	Gorlé, C.; van Beeck, J.; Rambaud, P.; Van Tendeloo, G.
	Title	CFD modelling of small particle dispersion: the influence of the turbulence kinetic energy in the atmospheric boundary layer			Type	A1 Journal article
	Year	2009	Publication	Atmospheric environment : an international journal	Abbreviated Journal	Atmos Environ
	Volume	43	Issue	3	Pages	673-681
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	When considering the modelling of small particle dispersion in the lower part of the Atmospheric Boundary Layer (ABL) using Reynolds Averaged Navier Stokes simulations, the particle paths depend on the velocity profile and on the turbulence kinetic energy, from which the fluctuating velocity components are derived to predict turbulent dispersion. It is therefore important to correctly reproduce the ABL, both for the velocity profile and the turbulence kinetic energy profile. For RANS simulations with the standard kå model, Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.) proposed a set of boundary conditions which result in horizontally homogeneous profiles. The drawback of this method is that it assumes a constant profile of turbulence kinetic energy, which is not always consistent with field or wind tunnel measurements. Therefore, a method was developed which allows the modelling of a horizontally homogeneous turbulence kinetic energy profile that is varying with height. By comparing simulations performed with the proposed method to simulations performed with the boundary conditions described by Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.), the influence of the turbulence kinetic energy on the dispersion of small particles over flat terrain is quantified.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000262737900023	Publication Date	2008-10-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1352-2310;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.629	Times cited	79	Open Access
	Notes	Iwt			Approved	Most recent IF: 3.629; 2009 IF: 3.139
	Call Number	UA @ lucian @ c:irua:76016			Serial	306
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	Author	Pereira, J.M.; Peeters, F.M.; Costa Filho, R.N.; Farias, G.A.
	Title	Valley polarization due to trigonal warping on tunneling electrons in graphene			Type	A1 Journal article
	Year	2009	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	21	Issue	4	Pages	045301,1-045301,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000262354700004	Publication Date	2008-12-20
	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	78	Open Access
	Notes				Approved	Most recent IF: 2.649; 2009 IF: 1.964
	Call Number	UA @ lucian @ c:irua:75736			Serial	3834
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	Kinematic vortex-antivortex lines in strongly driven superconducting stripes			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	19	Issue	18	Pages	184506,1-184506,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the framework of the time-dependent Ginzburg-Landau formalism, we study the resistive state of a submicron superconducting stripe in the presence of a longitudinal current. Sufficiently strong current leads to phase slippage between the leads, which is manifested as oppositely charged kinematic vortices moving in opposite directions perpendicular to applied drive. Depending on the distribution of superconducting current density the vortex-antivortex either nucleate in the middle of the stripe and are expelled laterally or enter on opposite sides of the sample and are driven together to annihilation. We distinguish between the two scenarios as a function of relevant parameters and show how the creation/annihilation point of the vortex-antivortex and their individual velocity can be manipulated by applied magnetic field and current.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000266501200091	Publication Date	2009-05-06
	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	75	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77400			Serial	1756
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	Author	Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M.
	Title	Bilayer graphene with single and multiple electrostatic barriers: band structure and transmission			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	79	Issue	15	Pages	155402,1-155402,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to both layers. As a model we use the tight-binding Hamiltonian in the continuum approximation. For zero bias the dispersion relation shows a finite gap for carriers with zero momentum in the direction parallel to the barriers. This is in contrast to single-layer graphene where no such gap was found. A gap also appears for a finite bias. Numerical results for the energy spectrum, conductance, and the density of states are presented and contrasted with those pertaining to single-layer graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000265944200091	Publication Date	2009-04-01
	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	74	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77025			Serial	235
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	Author	Beyers, E.; Biermans, E.; Ribbens, S.; de Witte, K.; Mertens, M.; Meynen, V.; Bals, S.; Van Tendeloo, G.; Vansant, E.F.; Cool, P.
	Title	Combined TiO₂/SiO₂ mesoporous photocatalysts with location and phase controllable TiO₂ nanoparticles			Type	A1 Journal article
	Year	2009	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	88	Issue	3/4	Pages	515-524
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	Combined TiO2/SiO2 mesoporous materials were prepared by deposition of TiO2 nanoparticles synthesised via the acid-catalysed solgel method. In the first synthesis step a titania solution is prepared, by dissolving titaniumtetraisopropoxide in nitric acid. The influences of the initial titaniumtetraisopropoxide concentration and the temperature of dissolving on the final structural properties were investigated. In the second step of the synthesis, the titania nanoparticles were deposited on a silica support. Here, the influence of the temperature during deposition was studied. The depositions were carried out on two different mesoporous silica supports, SBA-15 and MCF, leading to substantial differences in the catalytic and structural properties. The samples were analysed with N2-sorption, X-ray diffraction (XRD), electron probe microanalysis (EPMA) and transmission electron microscopy (TEM) to obtain structural information, determining the amount of titania, the crystal phase and the location of the titania particles on the mesoporous material (inside or outside the mesoporous channels). The structural differences of the support strongly determine the location of the nanoparticles and the subsequent photocatalytic activity towards the degradation of rhodamine 6G in aqueous solution under UV irradiation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000266513400032	Publication Date	2008-10-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-3373;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.446	Times cited	69	Open Access
	Notes	Goa-Bof; Fwo			Approved	Most recent IF: 9.446; 2009 IF: 5.252
	Call Number	UA @ lucian @ c:irua:77150			Serial	403
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	Author	Kolev, I.; Bogaerts, A.
	Title	Numerical study of the sputtering in a dc magnetron			Type	A1 Journal article
	Year	2009	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Phys Chem C
	Volume	27	Issue	1	Pages	20-28
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000263299600018	Publication Date	2009-02-03
	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	66	Open Access
	Notes				Approved	Most recent IF: 4.536; 2009 IF: 4.224
	Call Number	UA @ lucian @ c:irua:71634			Serial	2411
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	Author	van Dijk, J.; Kroesen, G.M.W.; Bogaerts, A.
	Title	Plasma modelling and numerical simulation			Type	Editorial
	Year	2009	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	42	Issue	19	Pages	190301,1-190301,14
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Plasma modelling is an exciting subject in which virtually all physical disciplines are represented. Plasma models combine the electromagnetic, statistical and fluid dynamical theories that have their roots in the 19th century with the modern insights concerning the structure of matter that were developed throughout the 20th century. The present cluster issue consists of 20 invited contributions, which are representative of the state of the art in plasma modelling and numerical simulation. These contributions provide an in-depth discussion of the major theories and modelling and simulation strategies, and their applications to contemporary plasma-based technologies. In this editorial review, we introduce and complement those papers by providing a bird's eye perspective on plasma modelling and discussing the historical context in which it has surfaced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000269993100001	Publication Date	2009-09-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	64	Open Access
	Notes				Approved	Most recent IF: 2.588; 2009 IF: 2.083
	Call Number	UA @ lucian @ c:irua:78166			Serial	2637
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	Author	Yang, X.-Y.; Li, Y.; Van Tendeloo, G.; Xiao, F.-S.; Su, B.-L.
	Title	One-pot synthesis of catalytically stable and active nanoreactors: encapsulation of size-controlled nanoparticles within a hierarchically macroporous core@ordered mesoporous shell system			Type	A1 Journal article
	Year	2009	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	21	Issue	13	Pages	1368-1372
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Size-controlled, catalytically active nanoparticles are successfully encapsulated in a one-pot synthesis to form novel hierarchical macroporous core@mesoporous shell structures, where macroporous cores are connected by uniform and ordered mesoporous channels. Most importantly, the encapsulated nanoparticles can be used as nanoreactors, with high activities and excellent long-term recycling stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000265432700011	Publication Date	2009-01-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;1521-4095;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	61	Open Access
	Notes	Iap			Approved	Most recent IF: 19.791; 2009 IF: NA
	Call Number	UA @ lucian @ c:irua:77316			Serial	2466
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	Author	Barreca, D.; Gasparotto, A.; Maccato, C.; Tondello, E.; Lebedev, O.I.; Van Tendeloo, G.
	Title	CVD of copper oxides from a \beta-diketonate diamine precursor: tailoring the nano-organization			Type	A1 Journal article
	Year	2009	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
	Volume	9	Issue	5	Pages	2470-2480
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A copper(II) hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-2,4-pentanedionate, hfa) adduct with N,N,N¡ä,N¡ä-tetramethylethylenediamine (TMEDA) [Cu(hfa)2¡¤TMEDA] is used for the first time as precursor for the chemical vapor deposition (CVD) of copper oxide nanosystems. The syntheses are carried out under both O2 and O2+H2O reaction atmospheres on Si(100) substrates, at temperatures ranging between 250 and 550 ¡ãC. Subsequently, the interrelations between the preparative conditions and the system composition, nanostructure, and morphology are elucidated by means of complementary analytical techniques [Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron and X-ray excited auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM)]. The obtained data revealed a gradual transformation from Cu2O, to Cu2O + CuO, to CuO nanosystems upon increasing the deposition temperature from 250 to 550 ¡ãC under both growth atmospheres. Such a phenomenon was accompanied by a progressive morphological evolution from continuous films to 1D hyperbranched nanostructures. Water vapor introduction in the deposition environment enabled to lower the deposition temperature and resulted in a higher aggregate interconnection, attributed to a higher density of nucleation centers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000265892200066	Publication Date	2009-05-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1528-7483;1528-7505;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.055	Times cited	60	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 4.055; 2009 IF: 4.162
	Call Number	UA @ lucian @ c:irua:77053			Serial	597
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