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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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	Author	Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A.
	Title	Molecular dynamics simulations of Cl⁺ etching on a Si(100) surface			Type	A1 Journal article
	Year	2010	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	107	Issue	11	Pages	113305,1-113305,6
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000278907100018	Publication Date	2010-06-04
	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	15	Open Access
	Notes				Approved	Most recent IF: 2.068; 2010 IF: 2.079
	Call Number	UA @ lucian @ c:irua:82663			Serial	2175
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	Author	Schapotschnikow, P.; van Huis, M.A.; Zandbergen, H.W.; Vanmaekelbergh, D.; Vlugt, T.J.H.
	Title	Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations			Type	A1 Journal article
	Year	2010	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	10	Issue	10	Pages	3966-3971
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000282727600028	Publication Date	2010-09-16
	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	59	Open Access
	Notes				Approved	Most recent IF: 12.712; 2010 IF: 12.219
	Call Number	UA @ lucian @ c:irua:84902			Serial	2205
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	Author	Khalil-Allafi, J.; Amin-Ahmadi, B.
	Title	Multiple-step martensitic transformations in the Ni₅₁Ti₄₉ single crystal			Type	A1 Journal article
	Year	2010	Publication	Journal of materials science	Abbreviated Journal	J Mater Sci
	Volume	45	Issue	23	Pages	6440-6445
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Multiple-step martensitic transformations of an aged Ni51Ti49 single crystal using calorimetric method were investigated. Results show that for short aging times (1045 min) multiple-step martensitic transformations on cooling occur in two steps. Applying intermediate aging times (1.254 h) results in three steps and long aging times (more than 8 h) lead to two-step martensitic transformations again. This behavior has not been recognized in NiTi single crystals in literatures. It can be related to the heterogeneity of composition and stress fields around Ni4Ti3 precipitates.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000282429400021	Publication Date	2010-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2461;1573-4803;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.599	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.599; 2010 IF: 1.859
	Call Number	UA @ lucian @ c:irua:122046			Serial	2231
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	Author	Maignan, A.; Lebedev, O.I.; Van Tendeloo, G.; Martin, C.; Hébert, S.
	Title	Negative magnetoresistance in a V³⁺/V⁴⁺ mixed valent vanadate			Type	A1 Journal article
	Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	96	Issue	23	Pages	232502,1-232502,3
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The magnetotransport and magnetic properties of the PbV6O11 vanadate, crystallizing in the P63mc space group, reveal the existence of a negative magnetoresistance related to its ferromagnetic state (TC ∼ 90 K). The maximum effect is observed at 20 K reaching −30% in 9 T. The structural study of this ceramic reveals a V/Pb ratio smaller than expected from the formula. This is explained by the presence of numerous stacking faults observed by high resolution transmission electron microscopy. The existence of these planar defects acting as resistive barriers along the c axis could be responsible for tunneling magnetoresistance.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000278695900045	Publication Date	2010-06-08
	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		Open Access
	Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
	Call Number	UA @ lucian @ c:irua:83293			Serial	2291
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	Author	Carrillo-Nuñez, H.; Magnus, W.; Peeters, F.M.
	Title	A non-linear variational principle for the self-consistent solution of Poisson's equation and a transport equation in the local density approximation			Type	P1 Proceeding
	Year	2010	Publication		Abbreviated Journal
	Volume		Issue		Pages	171-174
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Ieee	Place of Publication	New York, N.Y.	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-4244-7699-2	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:85824			Serial	2347
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	Author	Sorée, B.; Magnus, W.; Szepieniec, M.; Vandenbreghe, W.; Verhulst, A.; Pourtois, G.; Groeseneken, G.; de Gendt, S.; Heyns, M.
	Title	Novel device concepts for nanotechnology : the nanowire pinch-off FET and graphene tunnelFET			Type	A2 Journal article
	Year	2010	Publication	ECS transactions	Abbreviated Journal
	Volume	28	Issue		Pages	15-26
	Keywords	A2 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We explain the basic operation of a nanowire pinch-off FET and graphene nanoribbon tunnelFET. For the nanowire pinch-off FET we construct an analytical model to obtain the threshold voltage as a function of radius and doping density. We use the gradual channel approximation to calculate the current-voltage characteristics of this device and we show that the nanowire pinch-off FET has a subthreshold slope of 60 mV/dec and good ION and ION/IOFF ratios. For the graphene nanoribbon tunnelFET we show that an improved analytical model yields more realistic results for the transmission probability and hence the tunneling current. The first simulation results for the graphene nanoribbon tunnelFET show promising subthreshold slopes.
	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	1938-5862	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:89510			Serial	2375
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	Author	Lindner, H.; Autrique, D.; Pisonero, J.; Günther, D.; Bogaerts, A.
	Title	Numerical simulation analysis of flow patterns and particle transport in the HEAD laser ablation cell with respect to inductively coupled plasma spectrometry			Type	A1 Journal article
	Year	2010	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	25	Issue	3	Pages	295-304
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The present study analyses a specific laser ablation cell, the High Efficiency Aerosol Dispersion (HEAD) cell (see J. Pisonero et al., J. Anal. At. Spectrom., 2006, 21, 922931), by means of computational fluid dynamics (CFD) simulations. However, this cell consists of different modular parts, therefore, the results are probably of interest for the further development of other ablation cells. In the HEAD cell, the ablation spot is positioned below an orifice in the ceiling of the sample chamber. The particle transport through this orifice has been analysed for a ceiling height of 0.8 mm. The critical velocity for the onset of particle losses was found to be independent on the ejection angle at the crater spot. The deceleration of the particles can be described as the stopping in an effectively steady gas. Particle losses were negligible in this modular part of the cell at the evaluated laser ablation conditions. The transport efficiency through the Venturi chamber was investigated for different sample gas flow rates. In this case, it was found that small particles were predominantly lost at low flow rates, the large particles at higher flow rates. Making use of the simulation results, it was possible to design a modification of the HEAD cell that results in extremely short calculated washout times. The simulations yielded a signal of less than 10 ms, which was produced by more than 99% of the introduced mass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000274961600005	Publication Date	2010-02-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477;1364-5544;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 3.379; 2010 IF: 4.372
	Call Number	UA @ lucian @ c:irua:80871			Serial	2403
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	Author	Tadić, M.; Arsoski, V.; Čukarić, N.; Peeters, F.M.
	Title	The optical excitonic Aharonov-Bohm effect in a few nanometer wide type-I nanorings			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	6	Pages	974-977
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The optical excitonic Aharonov-Bohm effect in type-1 three-dimensional (In, Ga)As/GaAs nanorings in theoretically explored. The single-particle states of the electron and the hole are extracted from the effective mass theory in the presence of inhomogeneous strain, and an exact numerical diagonalization approach is used to compute the exciton states and the oscillator strength fx for exciton recombination. We studied both the large lithographically-defined and small self-assembled rings. Only in smaller self-assembled nanorings we found optical excitonic AharonovBohm effect. Those oscillations are established by anticrossings between the optically active exciton states with zero orbital momentum. In lithographically defined rings, whose average radius is 33 nm, fx shows no oscillations, whereas in the smaller self-assembled nanoring with average radius of 11.5 nm oscillations in fx for the ground exciton state are found as function of the magnetic field that is superposed on a linear dependence. These oscillations are smeared out at finite temperature, thus photoluminescence intensity exhibits step-like variation with magnetic field even at temperature as small as 4.2 K.
	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:84080			Serial	2474
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	Author	Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A.
	Title	The origin of Bohm diffusion, investigated by a comparison of different modelling methods			Type	A1 Journal article
	Year	2010	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	43	Issue	29	Pages	292001,1-292001,5
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000279638700001	Publication Date	2010-07-09
	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	16	Open Access
	Notes				Approved	Most recent IF: 2.588; 2010 IF: 2.109
	Call Number	UA @ lucian @ c:irua:83109			Serial	2521
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	Author	Fang, C.M.; Sluiter, M.H.F.; van Huis, M.; Ande, C.K.; Zandbergen, H.W.
	Title	Origin of predominance of cementite among iron carbides in steel at elevated temperature			Type	A1 Journal article
	Year	2010	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	105	Issue	5	Pages	4
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, -Fe and graphite. Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000280472900008	Publication Date	2010-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	65	Open Access
	Notes				Approved	Most recent IF: 8.462; 2010 IF: 7.622
	Call Number	UA @ lucian @ c:irua:84064			Serial	2526
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	Author	Bending, S.J.; Milošević, M.V.; Moshchalkov, V.V.
	Title	Polarity-dependent vortex pinning and spontaneous vortex-antivortex structures in superconductor/ferromagnet hybrids			Type	H1 Book chapter
	Year	2010	Publication		Abbreviated Journal
	Volume		Issue		Pages	299-322
	Keywords	H1 Book chapter; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	Springer	Place of Publication	Berlin	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	978-3-642-15136-1	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:106139			Serial	2659
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	Author	Peng, L.; Philippaerts, A.; Ke, X.; van Noyen, J.; de Cleppel, F.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F.
	Title	Preparation of sulfonated ordered mesoporous carbon and its use for the esterification of fatty acids			Type	A1 Journal article
	Year	2010	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	150	Issue	1/2	Pages	140-146
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Mesoporous carbon, which can be replicated from mesoporous silica and whose surface is hydrophobic, can be an ideal catalyst for the esterification of fatty acids. Here we report an easy and low cost way to prepare sulfonic acid group-functionalized mesoporous carbon. A sample of calcined mesoporous silica SBA-15 was added to an aqueous sucrose solution followed by drying and calcination at different temperatures. In contrast to existing procedures, the obtained hybrid Si/C material was then first sulfonated in H2SO4, before the final removal of the silica template in order to stabilize the porous structure towards the liquid phase sulfonation treatment. Thus the silicacarbon composites, instead of the mesoporous carbon, were successfully sulfonated to introduce SO3H groups, while keeping the ordered mesoporous structure intact. The influence of carbonization temperature was investigated, suggesting an optimum temperature of 873 K. The SO3H group-functionalized mesoporous carbon, denoted as CMK-3-873-SO3H, was characterized by means of XRD, N2 physisorption, SEM, FT-IR, elemental analysis and TEM. It followed that a uniform mesoporous carbon was obtained with an average pore size of 3.89 nm, a specific surface of 807 m2/g and a SO3H group loading of 0.39 meq/g of dry material. Compared with other solid acid catalysts, the resulting material shows enhanced activity in the acid-catalyzed esterification of oleic acid with methanol, and can be used repeatedly. The increased catalytic performance is attributed to the hydrophobic surface and larger pore size of the new catalyst. It can effectively accommodate long chain fatty acids and reject formed water, making the active sites easily accessible.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000275566700024	Publication Date	2009-09-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	132	Open Access
	Notes				Approved	Most recent IF: 4.636; 2010 IF: 2.993
	Call Number	UA @ lucian @ c:irua:81739			Serial	2706
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	Author	Martens, T.; Bogaerts, A.; van Dijk, J.
	Title	Pulse shape influence on the atmospheric barrier discharge			Type	A1 Journal article
	Year	2010	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	96	Issue	13	Pages	131503,1-131503,3
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this letter we compare the effect of a radio-frequency sine, a low frequency sine, a rectangular and a pulsed dc voltage profile on the calculated electron production and power consumption in the dielectric barrier discharge. We also demonstrate using calculated potential distribution profiles of high time and space resolution how the pulsed dc discharge generates a secondary discharge pulse by deactivating the power supply.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000276275300019	Publication Date	2010-03-31
	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	35	Open Access
	Notes				Approved	Most recent IF: 3.411; 2010 IF: 3.841
	Call Number	UA @ lucian @ c:irua:81538			Serial	2738
Permanent link to this record