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Author	Yiu, H.H.P.; Niu, H.-jun; Biermans, E.; Van Tendeloo, G.; Rosseinsky, M.J.
Title	Designed multifunctional nanocomposites for biomedical applications			Type	A1 Journal article
Year	2010	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
Volume	20	Issue	10	Pages	1599-1609
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The assembly of multifunctional nanocomposite materials is demonstrated by exploiting the molecular sieving property of SBA-16 nanoporous silica and using it as a template material. The cages of the pore networks are used to host iron oxide magnetic nanoparticles, leaving a pore volume of 0.29 cm3 g-1 accessible for drug storage. This iron oxide-silica nanocomposite is then functionalized with amine groups. Finally the outside of the particle is decorated with antibodies. Since the size of many protein molecules, including that of antibodies, is too large to enter the pore system of SBA-16, the amine groups inside the pores are preserved for drug binding. This is proven using a fluorescent protein, fluorescein-isothiocyanate-labeled bovine serum albumin (FITC-BSA), with the unreacted amine groups inside the pores dyed with rhodamine B isothiocyanate (RITC). The resulting nanocomposite material offers a dual-targeting drug delivery mechanism, i.e., magnetic and antibody-targeting, while the functionalization approach is extendable to other applications, e.g., fluorescence-magnetic dual-imaging diagnosis.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000278597100008	Publication Date	2010-04-01
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	56	Open Access
Notes				Approved	Most recent IF: 12.124; 2010 IF: 8.508
Call Number	UA @ lucian @ c:irua:83298			Serial	662
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Author	Eckert, M.; Neyts, E.; Bogaerts, A.
Title	Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of C_xH_y species at diamond step edges			Type	A1 Journal article
Year	2010	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
Volume	10	Issue	9	Pages	4123-4134
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics−Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x ≥ 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000281353900042	Publication Date	2010-08-16
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	11	Open Access
Notes				Approved	Most recent IF: 4.055; 2010 IF: 4.390
Call Number	UA @ lucian @ c:irua:83696			Serial	694
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Author	Gorlé, C.; van Beeck, J.; Rambaud, P.
Title	Dispersion in the wake of a rectangular building : validation of two Reynolds-averaged Navier-Stokes modelling approaches			Type	A1 Journal article
Year	2010	Publication	Boundary-layer meteorology	Abbreviated Journal	Bound-Lay Meteorol
Volume	137	Issue	1	Pages	115-133
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	When modelling the turbulent dispersion of a passive tracer using Reynolds-averaged Navier-Stokes (RANS) simulations, two different approaches can be used. The first consists of solving a transport equation for a scalar, where the governing parameters are the mean velocity field and the turbulent diffusion coefficient, given by the ratio of the turbulent viscosity and the turbulent Schmidt number Sc (t) . The second approach uses a Lagrangian particle tracking algorithm, where the governing parameters are the mean velocity and the fluctuating velocity field, which is determined from the turbulence kinetic energy and the Lagrangian time T (L) . A comparison between the two approaches and wind-tunnel data for the dispersion in the wake of a rectangular building immersed in a neutral atmospheric boundary layer (ABL) is presented. Particular attention was paid to the influence of turbulence model parameters on the flow and concentration field. In addition, an approach to estimate Sc (t) and T (L) based on the calculated flow field is proposed. The results show that applying modified turbulence model constants to enable correct modelling of the ABL improves the prediction for the velocity and concentration fields when the modification is restricted to the region for which it was derived. The difference between simulated and measured concentrations is smaller than 25% or the uncertainty of the data on 76% of the points when solving the transport equation for a scalar with the proposed formulation for Sc (t) , and on 69% of the points when using the Lagrangian particle tracking with the proposed formulation for T (L) .
Address
Corporate Author				Thesis
Publisher		Place of Publication	Dordrecht	Editor
Language		Wos	000281712500006	Publication Date	2010-06-30
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0006-8314;1573-1472;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.573	Times cited	16	Open Access
Notes				Approved	Most recent IF: 2.573; 2010 IF: 1.879
Call Number	UA @ lucian @ c:irua:95570			Serial	736
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Author	Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
Title	Electronic properties of two-dimensional hexagonal germanium			Type	A1 Journal article
Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
Volume	96	Issue	8	Pages	082111,1-082111,3
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted to have a poor metallic behavior, i.e., being metallic with a low density of states at the Fermi level. It is found that biaxial compressively strained germanene is a gapless semiconductor with linear energy dispersions near the K pointslike graphene. The calculated Fermi velocity of germanene is almost independent of the strain and is about 1.7×10<sup>6</sup> m/s, quite comparable to the value in graphene.
Address
Corporate Author				Thesis
Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
Language		Wos	000275027200044	Publication Date	2010-02-25
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.411	Times cited	86	Open Access
Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
Call Number	UA @ lucian @ c:irua:91716			Serial	1004
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Author	Figuerola, A.; van Huis, M.; Zanella, M.; Genovese, A.; Marras, S.; Falqui, A.; Zandbergen, H.W.; Cingolani, R.; Manna, L.
Title	Epitaxial CdSe-Au nanocrystal heterostructures by thermal annealing			Type	A1 Journal article
Year	2010	Publication	Nano letters	Abbreviated Journal	Nano Lett
Volume	10	Issue	8	Pages	3028-3036
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington	Editor
Language		Wos	000280728900049	Publication Date	2010-07-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	12.712	Times cited	112	Open Access
Notes				Approved	Most recent IF: 12.712; 2010 IF: 12.219
Call Number	UA @ lucian @ c:irua:83995			Serial	1069
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Author	Xu, T.; Nys, J.-P.; Addad, A.; Lebedev, O.I.; Urbieta, A.; Salhi, B.; Berthe, M.; Grandidier, B.; Stievenard, D.
Title	Faceted sidewalls of silicon nanowires: Au-induced structural reconstructions and electronic properties			Type	A1 Journal article
Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
Volume	81	Issue	11	Pages	115403,1-115403,10
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Si nanowires with a ⟨111⟩ orientation, synthesized by vapor-liquid-solid process with low silane partial pressure reactant and gold as the catalyst, are known to exhibit sawtooth facets containing gold adsorbates. We report herein the study of the nanowire morphology by means of transmission electron microscopy and scanning tunneling microscopy. The nanowires consist of faceted sidewalls. The number of the sidewalls changes from 12 to 6 along the growth axis, giving rise to nanowires with an irregular hexagonal cross section at their base. The sidewalls are covered with Au-rich clusters. Their facets also exhibit atomic structures that reveal the presence of gold, resulting from the diffusion of gold during the growth. Based on these observations, the tapering of the nanowire is found to be related to two contributions: the reduction in the catalyst particle size during the growth and lateral overgrowth from the direct incorporation of Si species onto the nanowire sidewalls. Because the rearrangement of atoms at surfaces and interfaces might affect the growth kinetics, the trigonal symmetry as well as the higher lateral growth rate on the widest sidewalls are explained from the existence of an interfacial atomic structure with two inequivalent parts in the unit cell. Finally, spectroscopic measurements were performed on the major facets and revealed a metallic behavior at 77 K.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000276248800116	Publication Date	2010-03-03
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	42	Open Access
Notes				Approved	Most recent IF: 3.836; 2010 IF: 3.774
Call Number	UA @ lucian @ c:irua:82273			Serial	1168
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Author	Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J.
Title	First-principles modeling of intrinsic and extrinsic defects in \gamma-Al₂O₃			Type	A1 Journal article
Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
Volume	97	Issue	21	Pages	212906
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385]
Address
Corporate Author				Thesis
Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
Language		Wos	000284618300039	Publication Date	2010-11-24
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.411	Times cited	12	Open Access
Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
Call Number	UA @ lucian @ c:irua:105617			Serial	1213
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Author	Ke, X.
Title	From top-down to bottom-up : from carbon nanotubes to nanodevices			Type	Doctoral thesis
Year	2010	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:87408			Serial	1289
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Author	Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Shpanchenko, R.V.; Geibel, C.; Rosner, H.
Title	Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO₄)₂			Type	A1 Journal article
Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
Volume	81	Issue	17	Pages	174424,1-174424,13
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Crystal structure and magnetic properties of the layered vanadium phosphate PbZnVO(PO4)2 are studied using x-ray powder diffraction, magnetization and specific-heat measurements, as well as band-structure calculations. The compound resembles AA′VO(PO4)2 vanadium phosphates and fits to the extended frustrated square-lattice model with the couplings J1, J1′ between nearest neighbors and J2, J2′ between next-nearest neighbors. The temperature dependence of the magnetization yields estimates of averaged nearest-neighbor and next-nearest-neighbor couplings, J̅ 1≃−5.2 K and J̅ 2≃10.0 K, respectively. The effective frustration ratio α=J̅ 2/J̅ 1 amounts to −1.9 and suggests columnar antiferromagnetic ordering in PbZnVO(PO4)2. Specific-heat data support the estimates of J̅ 1 and J̅ 2 and indicate a likely magnetic ordering transition at 3.9 K. However, the averaged couplings underestimate the saturation field, thus pointing to the spatial anisotropy of the nearest-neighbor interactions. Band-structure calculations confirm the identification of ferromagnetic J1, J1′ and antiferromagnetic J2, J2′ in PbZnVO(PO4)2 and yield (J1′−J1)≃1.1 K in excellent agreement with the experimental value of 1.1 K, deduced from the difference between the expected and experimentally measured saturation fields. Based on the comparison of layered vanadium phosphates with different metal cations, we show that a moderate spatial anisotropy of the frustrated square lattice has minor influence on the thermodynamic properties of the model. We discuss relevant geometrical parameters, controlling the exchange interactions in these compounds and propose a strategy for further design of strongly frustrated square-lattice materials.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000278141600082	Publication Date	2010-05-25
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	27	Open Access
Notes				Approved	Most recent IF: 3.836; 2010 IF: 3.774
Call Number	UA @ lucian @ c:irua:83384			Serial	1294
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Author	Amin-Ahmadi, B.; Aashuri, H.
Title	Globular structure of M2 high speed steel by thermomechanical treatment in the semisolid state			Type	A1 Journal article
Year	2010	Publication	Steel research international	Abbreviated Journal	Steel Res Int
Volume	81	Issue	5	Pages	381-386
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The globular structure of M2 high speed steel in the rolled – annealed and as cast conditions was investigated in the semisolid state. Metallographic observations resulted in globular austenite particles that were surrounded by a liquid phase. Dissolution of various carbides in the austenite phase at semisolid temperatures led to grain boundary liquation and formation of near-spherical solid grains in a liquid matrix. Therefore, at the semisolid state, the solid particles were free from carbides. MC- type and M6C- type eutectic carbides re- precipitated at the grain boundaries during cooling of the samples from the semisolid temperature. The variation of shape factor versus holding time and holding temperature was examined. A transition value for shape factor changes in high speed steels was achieved. The growth rate constants of the Ostwald ripening and the coalescence mechanisms were calculated by using the experimentally determined rate constant. It was observed that less liquid droplets were enclosed inside the solid particles compared with non-ferrous alloys. Besides, it has been shown that at high solid fraction, the Ostwald ripening mechanism plays a prominent role in the coarsening phenomenon in comparison with the coalescence mechanism. Grains can rotate and arrange low misorientation with each other at high liquid contents, therefore low energetic grain boundaries form between these grains. These grain boundaries play an important role in the coalescence mechanism.
Address
Corporate Author				Thesis
Publisher	Verlag Stahleisen	Place of Publication	Düsseldorf	Editor
Language		Wos	000278292200007	Publication Date	2010-05-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1611-3683;1869-344X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.235	Times cited	1	Open Access
Notes				Approved	Most recent IF: 1.235; 2010 IF: 0.455
Call Number	UA @ lucian @ c:irua:122047			Serial	1347
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Author	Razdobarin, A.G.; Mukhin, E.E.; Semenov, V.V.; Yu.Tolstyakov, S.; Kochergin, M.M.; Kurskiev, G.S.; Podushnikova, K.A.; Kirilenko, D.A.; Sitnikova, A.A.; Gorodetsky, А.Е.; Bukhovets, V.L.; Zalavutdinov, R.K.; Zakharov, А.P.; Arkhipov, I.I.; Voitsenya, V.S.; Bondarenko, V.N.; Konovalov, V.G.; Ryzhkov, I.V.;
Title	High reflective mirrors for in-vessel applications in ITER			Type	A1 Journal article
Year	2010	Publication	Nuclear instruments and methods in physics research : A: accelerators, spectrometers, detectors and associated equipment	Abbreviated Journal	Nucl Instrum Meth A
Volume	623	Issue	2	Pages	809-811
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	The structure and surface morphology of aluminum and silver mirrors covered with protective dielectric oxide layer were studied by means of TEM and SEM. The presence of needle-like pores throughout the thickness of the ZrO(2) film and bubble-like pores in Al(2)O(3) was observed. The test for resistivity to deuterium ion bombardment shows that the exposition to a fluence of similar to 2 x 10(20) ions/cm(2) with the ion energy of 40-50 eV results in appearance of blisters on the surface of mirrors covered wit h Al(2)O(3). For the mirrors protected with ZrO(2) no noticeable changes in surface morphology and reflectivity were found even after order of magnitude higher ion fluence. The effect of different porous structures on blistering phenomena is discussed. (C) 2010 Elsevier B.V. All rights reserved.
Address
Corporate Author				Thesis
Publisher	Elsevier Science	Place of Publication	Amsterdam	Editor
Language		Wos	000284343600041	Publication Date	2010-04-22
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0168-9002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.362	Times cited	4	Open Access
Notes				Approved	Most recent IF: 1.362; 2010 IF: 1.142
Call Number	UA @ lucian @ c:irua:95545			Serial	1442
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Author	Cortes-Gil, R.; Parker, D.R.; Pitcher, M.J.; Hadermann, J.; Clarke, S.J.
Title	Indifference of superconductivity and magnetism to size-mismatched cations in the layered iron arsenides Ba_1-xNa_xFe₂As₂			Type	A1 Journal article
Year	2010	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	22	Issue	14	Pages	4304-4311
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The evolution of the structure, magnetic ordering, and superconductivity in the series Ba(1-x)Na(x)Fe(2)As(2) is reported up to the limiting Na-rich composition with x = 0.6; the more Na-rich compositions are unstable at high temperatures with respect to competing phases. The magnetic and superconducting behaviors of the Bai,Na,Fe,As, members are similar to those of the betterinvestigated Ba(1-x)Na(x)Fe(2)As(2) analogues. This is evidently a consequence of the quantitatively similar evolution of the structure of the FeAs layers in the two series. In Ba(1-x)Na(x)Fe(2)As(2) antiferromagnetic order and an associated structural distortion are evident for x <= 0.35 and superconductivity is evident when x exceeds 0.2. For 0.4 <= x <= 0.6 bulk superconductivity is evident, and the long-range antiferromagnetically ordered state is completely suppressed. The maximum T(c) in the Ba(1-x)Na(x)Fe(2)As(2) series, as judged by the onset of diamagnetism, is 34K in Ba(0.6)Na(0.4)Fe(2)As(2). Despite the large mis-match in sizes between the two electropositive cations which separate the FeAs layers, there is no evidence for ordering of these cations on the length scale probed by electron diffraction.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000280005300027	Publication Date	2010-07-02
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	31	Open Access
Notes				Approved	Most recent IF: 9.466; 2010 IF: 6.400
Call Number	UA @ lucian @ c:irua:95594			Serial	1601
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Author	Martens, T.; Bogaerts, A.; Brok, W.J.M.; van Dijk, J.
Title	The influence of impurities on the performance of the dielectric barrier discharge			Type	A1 Journal article
Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
Volume	96	Issue	9	Pages	091501,1-091501,3
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	In this letter, we investigate the effect of various levels of nitrogen impurity on the electrical performance of an atmospheric pressure dielectric barrier discharge in helium. We illustrate the different current profiles that are obtained, which exhibit one or more discharge pulses per half cycle and evaluate their performance in ionizing the discharge and dissipating the power. It is shown that flat and broad current profiles perform the best in ionizing the discharge and use the least amount of power per generated charged particle.
Address
Corporate Author				Thesis
Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
Language		Wos	000275246200008	Publication Date	2010-03-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.411	Times cited	28	Open Access
Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
Call Number	UA @ lucian @ c:irua:80944			Serial	1624
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Author	Eckert, M.; Neyts, E.; Bogaerts, A.
Title	Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations			Type	A1 Journal article
Year	2010	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
Volume	10	Issue	7	Pages	3005-3021
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000279422700032	Publication Date	2010-05-25
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	13	Open Access
Notes				Approved	Most recent IF: 4.055; 2010 IF: 4.390
Call Number	UA @ lucian @ c:irua:83065			Serial	1675
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Author	Arsoski, V.; Tadić, M.; Peeters, F.M.
Title	Interband optical properties of concentric type-I nanorings in a normal magnetic field			Type	A1 Journal article
Year	2010	Publication	Acta physica Polonica: A: general physics, solid state physics, applied physics	Abbreviated Journal	Acta Phys Pol A
Volume	117	Issue	5	Pages	733-737
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Two concentric two-dimensional GaAs/(Al,Ga)As nanorings in a normal magnetic field are theoretically studied. The single-band effective mass approximation is adopted for both the electron and the hole states, and the analytical solutions are given. We find that the electronic single particle states are arranged in pairs, which exhibit anticrossings and the orbital momentum transitions in the energy spectrum when magnetic field increases. Their period is essentially determined by the radius of the outer ring. The oscillator strength for interband transitions is strongly reduced close to each anticrossing. We show that an optical excitonic Aharonov-Bohm effect may occur in concentric nanorings.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Warszawa	Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0587-4246	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	0.469	Times cited		Open Access
Notes				Approved	Most recent IF: 0.469; 2010 IF: 0.467
Call Number	UA @ lucian @ c:irua:83377			Serial	1690
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Author	Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H.
Title	Interplay of atomic displacement in the quantum magnet (CuCI)LaNb₂O₇			Type	A1 Journal article
Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
Volume	82	Issue	5	Pages	054107,1-054107,12
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000280849400001	Publication Date	2010-08-12
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	13	Open Access
Notes				Approved	Most recent IF: 3.836; 2010 IF: 3.774
Call Number	UA @ lucian @ c:irua:83991			Serial	1706
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Author	Mao, M.; Bogaerts, A.
Title	Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system : the effect of different gas mixtures			Type	A1 Journal article
Year	2010	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
Volume	43	Issue	20	Pages	205201,1-205201,20
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an inductively coupled plasma in gas mixtures of H2 or NH3 with CH4 or C2H2 used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs). The plasma properties are discussed for different gas mixtures at low and moderate pressures, and the growth precursors for CNTs/CNFs are analysed. It is found that C2H2, C2H4 and C2H6 are the predominant molecules in CH4 containing plasmas besides the feedstock gas, and serve as carbon sources for CNT/CNF formation. On the other hand, long-chain hydrocarbons are observed in C2H2-containing plasmas. Furthermore, the background gases CH4 and C2H2 show a different decomposition rate with H2 or NH3 addition at moderate pressures.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000277373400009	Publication Date	2010-05-05
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	52	Open Access
Notes				Approved	Most recent IF: 2.588; 2010 IF: 2.109
Call Number	UA @ lucian @ c:irua:82067			Serial	1723
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Author	Mao, M.; Bogaerts, A.
Title	Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma-enhanced CVD system : the effect of processing parameters			Type	A1 Journal article
Year	2010	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
Volume	43	Issue	31	Pages	315203-315203,15
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	A parameter study is carried out for an inductively coupled plasma used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs), by means of the Hybrid Plasma Equipment Model. The influence of processing parameters including gas ratio for four different gas mixtures typically used for CNT/CNF growth (i.e. CH4/H2, CH4/NH3, C2H2/H2 and C2H2/NH3), inductively coupled plasma (ICP) power (501000 W), operating pressure (10 mTorr1 Torr), bias power (01000 W) and temperature of the substrate (01000 °C) on the plasma chemistry is investigated and the optimized conditions for CNT/CNF growth are analysed. Summarized, our calculations suggest that a lower fraction of hydrocarbon gases (CH4 or C2H2, i.e. below 20%) and hence a higher fraction of etchant gases (H2 or NH3) in the gas mixture result in more 'clean' conditions for controlled CNT/CNF growth. The same applies to a higher ICP power, a moderate ICP gas pressure above 100 mTorr (at least for single-walled carbon nanotubes), a high bias power (for aligned CNTs) and an intermediate substrate temperature.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000280275200007	Publication Date	2010-07-17
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	17	Open Access
Notes				Approved	Most recent IF: 2.588; 2010 IF: 2.109
Call Number	UA @ lucian @ c:irua:88365			Serial	1724
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Author	Quintana, M.; Ke, X.; Van Tendeloo, G.; Meneghetti, M.; Bittencourt, C.; Prato, M.
Title	Light-induced selective deposition of Au nanoparticles on single-wall carbon nanotubes			Type	A1 Journal article
Year	2010	Publication	ACS nano	Abbreviated Journal	Acs Nano
Volume	4	Issue	10	Pages	6105-6113
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	Novel applications of single-walled carbon nanotubes (SWNT) rely on the development of new strategies to make them easier to handle without affecting their structural properties. In this work, we have selectively deposited Au nanoparticles (Au NP) on SWNT assisted by UV light irradiation. XPS analysis and UV-vis spectroscopy indicate that the deposition occurs at the defects generated after oxidation of the SWNT. By addition of n-dodecylthiol, the separation of oxidized tubes with Au NP (Au-ox-SWNT) from tubes devoid of Au NP (bare tubes, b-SWNT) was achieved. Raman and UV-vis-NIR spectra indicate that UV irradiation induces a faster nucleation of Au NP on metallic SWNT. This new technique can be useful for the preparation of nanohybrid composites with enhanced properties, as increased thermal stability, and to obtain purified SWNT.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000283453700081	Publication Date	2010-09-24
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	26	Open Access
Notes				Approved	Most recent IF: 13.942; 2010 IF: 9.865
Call Number	UA @ lucian @ c:irua:99202			Serial	1819
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Author	Bezjak, J.; Abakumov, A.M.; Recnik, A.; Krzmanc, M.M.; Jancar, B.; Suvorov, D.
Title	The local structure and composition of Ba₄Nb₂O₉-based oxycarbonates			Type	A1 Journal article
Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	183	Issue	8	Pages	1823-1828
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	X-ray powder-diffraction(XRD),high-resolutiontransmissionelectronmicroscopy(HRTEM),electron diffraction(ED),infraredspectroscopy(IR),thermogravimetry(TG)andmassspectroscopy(MS)were performedtoinvestigatethecompositionandthecrystalstructureoftetra-bariumdi-niobate(V) Ba4Nb2O9. TheTG,MSandIRstudiesrevealedthatthecompoundisahydratedoxycarbonate.Assuming that thecarbonatestoichiometricallyreplacesoxygen,thecompositionofthelow-temperature a-modification,obtainedbyslowcoolingfrom1100 1C, correspondstoBa4Nb2O8.8(CO3)0.2 0.1H2O, while thequenchedhigh-temperature g-modificationhastheBa4Nb2O8.42(CO3)0.58 0.38H2O composi- tion. The a-phase hasacompositeincommensuratelymodulatedstructureconsistingoftwomutually interacting[Ba]N and the[(Nb,)O3]N subsystems.Thecompositemodulatedcrystalstructureofthe a-phase canbedescribedwiththelatticeparameters a¼10.2688(1) A˚ , c¼2.82426(8) A˚ , q¼0.66774(2)c* and asuperspacegroup R3m(00g)0s. TheHRTEManalysisdemonstratesthenanoscale twinningofthetrigonaldomainsparalleltothe{100}crystallographicplanes.Thetwinningintroduces a one-dimensionaldisorderintothe[(Nb,)O3]N subsystem,whichresultsinanaverage P62c crystal structureofthe a-phase. Possibleplacesforthecarbonategroupinthestructurearediscussedusinga comparisonwithotherhexagonalperovskite-basedoxycarbonates.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000280620300013	Publication Date	2010-06-14
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	10	Open Access
Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
Call Number	UA @ lucian @ c:irua:84046			Serial	1830
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Author	Felten, A.; Gillon, X.; Gulas, M.; Pireaux, J.-J.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.; Najafi, E.; Hitchcock, A.P.
Title	Measuring point defect density in individual carbon nanotubes using polarization-dependent X-ray microscopy			Type	A1 Journal article
Year	2010	Publication	ACS nano	Abbreviated Journal	Acs Nano
Volume	4	Issue	8	Pages	4431-4436
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The presence of defects in carbon nanotubes strongly modifies their electrical, mechanical, and chemical properties. It was long thought undesirable, but recent experiments have shown that introduction of structural defects using ion or electron irradiation can lead to novel nanodevices. We demonstrate a method for detecting and quantifying point defect density in individual carbon nanotubes (CNTs) based on measuring the polarization dependence (linear dichroism) of the C 1s → π* transition at specific locations along individual CNTs with a scanning transmission X-ray microscope (STXM). We show that STXM can be used to probe defect density in individual CNTs with high spatial resolution. The quantitative relationship between ion dose, nanotube diameter, and defect density was explored by purposely irradiating selected sections of nanotubes with kiloelectronvolt (keV) Ga+ ions. Our results establish polarization-dependent X-ray microscopy as a new and very powerful characterization technique for carbon nanotubes and other anisotropic nanostructures.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000281052700014	Publication Date	2010-07-07
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	26	Open Access
Notes				Approved	Most recent IF: 13.942; 2010 IF: 9.865
Call Number	UA @ lucian @ c:irua:84734			Serial	1966
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Author	Maignan, A.; Lebedev, O.I.; Van Tendeloo, G.; Martin, C.; Hebert, S.
Title	Metal to insulator transition in the n-type hollandite vanadate Pb_1.6V₈O₁₆			Type	A1 Journal article
Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
Volume	82	Issue	3	Pages	035122, 1-035122,5
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The transport and magnetic measurements of polycrystalline Pb1.6V8O16 hollandite reveal a concomitant metal to insulator and antiferromagnetic transition at TMI≈140 K. A clear localization is found below TMI, evidenced by a rapid increase in the absolute value of the negative Seebeck coefficient. The structural study by x-ray and transmission electron microscopy confirms the hollandite structure and shows that no structural transition occurs at TMI, ruling out a possible charge orbital ordering. The negative Seebeck coefficient observed from 50 K up to 900 K, with values reaching S=−38 μV K−1 at 900 K, is explained by the electron doping of ∼1.4e− in the V empty t2g orbitals responsible for the bad metal resistivity (ρ900 K∼2 mΩ cm). As this S value is close to that obtained by considering only the spin and orbital degeneracies, it is expected that \|S\| for such vanadates will not be sensitive at high temperature to the t2g band filling
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000280366300002	Publication Date	2010-07-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.836	Times cited	10	Open Access
Notes				Approved	Most recent IF: 3.836; 2010 IF: 3.774
Call Number	UA @ lucian @ c:irua:84065			Serial	2009
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Author	Vassiliev, S.Y.; Laurinavichute, V.K.; Abakumov, A.M.; Govorov, V.A.; Bendovskii, E.B.; Turner, S.; Filatov, A.Y.; Tarasovskii, V.P.; Borzenko, A.G.; Alekseeva, A.M.; Antipov, E.V.
Title	Microstructural aspects of the degradation behavior of SnO₂-based anodes for aluminum electrolysis			Type	A1 Journal article
Year	2010	Publication	Journal of the electrochemical society	Abbreviated Journal	J Electrochem Soc
Volume	157	Issue	5	Pages	C178-C186
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The performance of SnO2 ceramic anodes doped with copper and antimony oxides was examined in cryolite alumina melts under anodic polarization at different cryolite ratios, temperatures, times, and current densities. The corroded part consists of a narrow strong corrosion zone at the anode surface with damage of the intergrain contacts and a large increase in porosity, a wider moderate corrosion zone with a smaller porosity increase, and a Cu depletion zone, where the ceramic retains its initial microstructure and a slight porosity increase occurs due to the removal of the Cu-rich inclusions. Mechanical destruction of the anode was never observed in the 10100 h tests. A microstructural model of the ceramic was suggested, consisting of grains with an Sb-doped SnO2 grain core surrounded by an ~200 to 500 nm grain shell where SnO2 was simultaneously doped with Sb and Mn+ (M=Cu2+,Fe3+,Al3+). The grains were separated by a few nanometers thick Cu-enriched grain boundaries. Different secondary charge carrier (holes) concentrations and electric conductivities in the grain core and grain shell result in a higher current density at the intergrain regions that leads to their profound degradation, especially in the low temperature acidic melt.
Address
Corporate Author				Thesis
Publisher		Place of Publication	New York, N.Y.	Editor
Language		Wos	000276555300037	Publication Date	2010-04-12
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0013-4651;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.259	Times cited	3	Open Access
Notes				Approved	Most recent IF: 3.259; 2010 IF: 2.427
Call Number	UA @ lucian @ c:irua:82260			Serial	2040
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Author	Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G.
Title	Mixed tellurides Ni_3-xGaTe₂ (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering			Type	A1 Journal article
Year	2010	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
Volume		Issue	9	Pages	1395-1404
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000276370300009	Publication Date	2010-02-12
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1434-1948;1099-0682;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.444	Times cited	8	Open Access
Notes				Approved	Most recent IF: 2.444; 2010 IF: 2.910
Call Number	UA @ lucian @ c:irua:82266			Serial	2090
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Author	Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S.
Title	Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas			Type	A1 Journal article
Year	2010	Publication	Pure and applied chemistry	Abbreviated Journal	Pure Appl Chem
Volume	82	Issue	6	Pages	1283-1299
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasmasurface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MCfluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasmasurface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000279063900010	Publication Date	2010-04-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1365-3075;0033-4545;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.626	Times cited	13	Open Access
Notes				Approved	Most recent IF: 2.626; 2010 IF: 2.134
Call Number	UA @ lucian @ c:irua:82108			Serial	2134
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Author	O'Regan, T.P.; Hurley, P.K.; Sorée, B.; Fischetti, M.V.
Title	Modeling the capacitance-voltage response of In_0.53Ga_0.47As metal-oxide-semiconductor structures : charge quantization and nonparabolic corrections			Type	A1 Journal article
Year	2010	Publication	Applied Physics Letters	Abbreviated Journal	Appl Phys Lett
Volume	96	Issue	21	Pages	213514,1-213514,3
Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract	The capacitance-voltage (C-V) characteristic is calculated for p-type In<sub>0.53</sub>Ga<sub>0.47</sub>As metal-oxide-semiconductor (MOS) structures based on a self-consistent PoissonSchrödinger solution. For strong inversion, charge quantization leads to occupation of the satellite valleys which appears as a sharp increase in the capacitance toward the oxide capacitance. The results indicate that the charge quantization, even in the absence of interface defects (D<sub>it</sub>), is a contributing factor to the experimental observation of an almost symmetric C-V response for In<sub>0.53</sub>Ga<sub>0.47</sub>As MOS structures. In addition, nonparabolic corrections are shown to enhance the depopulation of the Γ valley, shifting the capacitance increase to lower inversion charge densities.
Address
Corporate Author				Thesis
Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
Language		Wos	000278183200090	Publication Date	2010-05-28
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	3.411	Times cited	26	Open Access
Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
Call Number	UA @ lucian @ c:irua:89509			Serial	2143
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Author	Verhulst, A.; Sorée, B.; Leonelli, D.; Vandenberghe, W.G.; Groeseneken, G.
Title	Modeling the single-gate, double-gate, and gate-all-around tunnel field-effect transistor			Type	A1 Journal article
Year	2010	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
Volume	107	Issue	2	Pages	024518,1-024518,8
Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract	Tunnel field-effect transistors (TFETs) are potential successors of metal-oxide-semiconductor FETs because scaling the supply voltage below 1 V is possible due to the absence of a subthreshold-swing limit of 60 mV/decade. The modeling of the TFET performance, however, is still preliminary. We have developed models allowing a direct comparison between the single-gate, double-gate, and gate-all-around configuration at high drain voltage, when the drain-voltage dependence is negligible, and we provide improved insight in the TFET physics. The dependence of the tunnel current on device parameters is analyzed, in particular, the scaling with gate-dielectric thickness, channel thickness, and dielectric constants of gate dielectric and channel material. We show that scaling the gate-dielectric thickness improves the TFET performance more than scaling the channel thickness and that improvements are often overestimated. There is qualitative agreement between our model and our experimental data.
Address
Corporate Author				Thesis
Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
Language		Wos	000274180600122	Publication Date	2010-01-28
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.068	Times cited	150	Open Access
Notes				Approved	Most recent IF: 2.068; 2010 IF: 2.079
Call Number	UA @ lucian @ c:irua:89507			Serial	2146
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Author	Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G.
Title	Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors			Type	A1 Journal article
Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	183	Issue	7	Pages	1663-1669
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000279711200028	Publication Date	2010-05-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	3	Open Access
Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
Call Number	UA @ lucian @ c:irua:83679			Serial	2156
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Author	Georgieva, V.; Todorov, I.T.; Bogaerts, A.
Title	Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential			Type	A1 Journal article
Year	2010	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
Volume	485	Issue	4/6	Pages	315-319
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Amsterdam	Editor
Language		Wos	000273782600010	Publication Date	2010-01-05
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	1.815	Times cited	16	Open Access
Notes				Approved	Most recent IF: 1.815; 2010 IF: 2.282
Call Number	UA @ lucian @ c:irua:80023			Serial	2170
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Author	Jian-Ping, N.; Xiao-Dan, L.; Cheng-Li, Z.; You-Min, Q.; Ping-Ni, H.; Bogaerts, A.; Fu-Jun, G.
Title	Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface			Type	A1 Journal article
Year	2010	Publication	Wuli xuebao	Abbreviated Journal	Acta Phys Sin-Ch Ed
Volume	59	Issue	10	Pages	7225-7231
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1000-3290	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	0.624	Times cited		Open Access
Notes				Approved	Most recent IF: 0.624; 2010 IF: 1.259
Call Number	UA @ lucian @ c:irua:95564			Serial	2171
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