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Author Tsvyashchenko, A.V.; Nikolaev, A.V.; Velichkov, A.I.; Salamatin, A.V.; Fomicheva, L.N.; Ryasny, G.K.; Sorokin, A.A.; Kochetov, O.I.; Budzynski, M.; Michel, K.H.
Title Lowering of the spatial symmetry at the gamma ->alpha phase transition in cerium Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 9 Pages 1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using time-differential perturbed angular correlation spectroscopy we have measured the electric field gradient (EFG) at 111Cd probe nuclei in solid Ce in a pressure range up to 8 GPa. Covering various allotropic phases of Ce, we find that the value of the EFG in the cubic α phase is almost four times larger than in the cubic γ phase and close to values in the noncubic phases α′ and α″. These results together with the differences in time modulation of the spectra are interpreted as evidence for quadrupolar electronic charge-density ordering and symmetry lowering at the γ→α transition while the lattice remains face-centered cubic
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000282004400001 Publication Date 2010-09-16
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 11 Open Access
Notes ; This work is supported by the Program of the Presidium of the Russian Academy of Sciences “Physics of Strongly Compressed Matter.” We are grateful to S. M. Stishov, B. Verberck, A. N. Grum-Grzhimailo, V. B. Brudanin and G. Heger for support of this work and discussion of the results. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85464 Serial 1854
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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.
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Corporate Author Thesis
Publisher (up) 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 Biermans, E.; Molina, L.; Batenburg, K.J.; Bals, S.; Van Tendeloo, G.
Title Measuring porosity at the nanoscale by quantitative electron tomography Type A1 Journal article
Year 2010 Publication Nano letters Abbreviated Journal Nano Lett
Volume 10 Issue 12 Pages 5014-5019
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Quantitative electron tomography is proposed to characterize porous materials at a nanoscale. To achieve reliable three-dimensional (3D) quantitative information, the influence of missing wedge artifacts and segmentation methods is investigated. We are presenting the Discrete Algebraic Reconstruction Algorithm as the most adequate tomography method to measure porosity at the nanoscale. It provides accurate 3D quantitative information, regardless the presence of a missing wedge. As an example, we applied our approach to nanovoids in La2Zr2O7 thin films.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Washington Editor
Language Wos 000284990900040 Publication Date 2010-11-22
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 79 Open Access
Notes Esteem 026019 Approved Most recent IF: 12.712; 2010 IF: 12.219
Call Number UA @ lucian @ c:irua:87658 Serial 1967
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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 Pb1.6V8O16 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
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Corporate Author Thesis
Publisher (up) 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 Meilikhov, M.; Yusenko, K.; Esken, D.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
Title Metals@MOFs – loading MOFs with metal nanoparticles for hybrid functions Type A1 Journal article
Year 2010 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2010 Issue 24 Pages 3701-3714
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed.
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Corporate Author Thesis
Publisher (up) Place of Publication Weinheim Editor
Language Wos 000281684300001 Publication Date 2010-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 366 Open Access
Notes Esteem 026019 Approved Most recent IF: 2.444; 2010 IF: 2.910
Call Number UA @ lucian @ c:irua:85495 Serial 2014
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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 (up) 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 Delville, R.; Malard, B.; Pilch, J.; Schryvers, D.
Title Microstructure changes during non-conventional heat treatment of thin NiTi wires by pulsed electric current studied by transmission electron microscopy Type A1 Journal article
Year 2010 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 58 Issue 13 Pages 4503-4515
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Transmission electron microscopy, electrical resistivity measurements and mechanical testing were employed to investigate the evolution of microstructure and functional superelastic properties of 0.1 mm diameter as-drawn NiTi wires subjected to a non-conventional heat treatment by controlled electric pulse currents. This method enables a better control of the recovery and recrystallization processes taking place during the heat treatment and accordingly a better control on the final microstructure. Using a stepwise approach of millisecond pulse annealing, it is shown how the microstructure evolves from a severely deformed state with no functional properties to an optimal nanograined microstructure (2050 nm) that is partially recovered through polygonization and partially recrystallized and that has the best functional properties. Such a microstructure is highly resistant against dislocation slip upon cycling, while microstructures annealed for longer times and showing mostly recrystallized grains were prone to dislocation slip, particularly as the grain size exceeds 200 nm.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Oxford Editor
Language Wos 000279787100020 Publication Date 2010-06-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 110 Open Access
Notes Multimat; FWO IAA Approved Most recent IF: 5.301; 2010 IF: 3.791
Call Number UA @ lucian @ c:irua:83279 Serial 2062
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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 Ni3-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 (up) 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 van den Broek, W.; Van Aert, S.; van Dyck, D.
Title A model based reconstruction technique for depth sectioning with scanning transmission electron microscopy Type A1 Journal article
Year 2010 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 110 Issue 5 Pages 548-554
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Depth sectioning in high angular annular dark field scanning transmission electron microscopy is considered a candidate for three-dimensional characterization on the atomic scale. However at present the depth resolution is still far from the atomic level, due to strong limitations in the opening angle of the beam. In this paper we introduce a new, parameter based tomographic reconstruction algorithm that allows to make maximal use of the prior knowledge about the constituent atom types and the microscope settings, so as to retrieve the atomic positions and push the resolution to the atomic level in all three dimensions.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Amsterdam Editor
Language Wos 000279065700022 Publication Date 2009-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 16 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2010 IF: 2.063
Call Number UA @ lucian @ c:irua:83690 Serial 2104
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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 (up) 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 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 (up) 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 (up) 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 (up) 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 Nikolaev, A.V.; Verberck, B.; Ionova, G.V.
Title Molecular interaction energies and optimal configuration of a cubane dimer Type A1 Journal article
Year 2010 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem
Volume 110 Issue 5 Pages 1063-1069
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state.
Address
Corporate Author Thesis
Publisher (up) Place of Publication New York, N.Y. Editor
Language Wos 000274720000011 Publication Date 2009-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.92 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 2.92; 2010 IF: 1.302
Call Number UA @ lucian @ c:irua:81944 Serial 2179
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Author de Clippel, F.; Harkiolakis, A.; Ke, X.; Vosch, T.; Van Tendeloo, G.; Baron, G.V.; Jacobs, P.A.; Denayer, J.F.M.; Sels, B.F.
Title Molecular sieve properties of mesoporous silica with intraporous nanocarbon Type A1 Journal article
Year 2010 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 46 Issue 6 Pages 928-930
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Biporous carbonsilica materials (CSM) with molecular sieve properties and high sorption capacity were developed by synthesizing nano-sized carbon crystallites in the mesopores of Al-MCM-41.
Address
Corporate Author Thesis
Publisher (up) Place of Publication London Editor
Language Wos 000274070800024 Publication Date 2009-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 21 Open Access
Notes Fwo; Iap Approved Most recent IF: 6.319; 2010 IF: 5.787
Call Number UA @ lucian @ c:irua:80994 Serial 2182
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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 (up) 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 Tirry, W.; Coghe, F.; Bouvier, S.; Gasperini, M.; Rabet, L.; Schryvers, D.
Title A multi-scale characterization of deformation twins in Ti6Al4V sheet material deformed by simple shear Type A1 Journal article
Year 2010 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 527 Issue 16/17 Pages 4136-4145
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ti6Al4V sheet material is subjected to simple shear deformation with strain ratio's of 10%, 30% and 50%. Optical microscopy, transmission electron microscopy and electron backscatter diffraction techniques are applied to study the presence and morphology of deformation twins. Only the View the MathML source type of twins seems to be present with a volume fraction below 1%. These View the MathML source twins show a high density of basal stacking faults of the ABABACAC type identified using atomic resolution transmission electron microscopy. A resolved shear stress analysis shows that twins most often occur on those planes with the highest resolved shear stresses, but that the starting texture is not beneficial for the occurrence of twins. It is further suggested that a transitory strain hardening regime observed around 530 MPa might be related with the onset of twinning.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lausanne Editor
Language Wos 000278766800068 Publication Date 2010-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 20 Open Access
Notes Iap Approved Most recent IF: 3.094; 2010 IF: 2.101
Call Number UA @ lucian @ c:irua:82291 Serial 2212
Permanent link to this record
 
 
Author Jorissen, K.; Rehr, J.J.; Verbeeck, J.
Title Multiple scattering calculations of relativistic electron energy loss spectra Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 15 Pages 155108,1-155108,6
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A generalization of the real-space Greens-function approach is presented for ab initio calculations of relativistic electron energy loss spectra (EELS) which are particularly important in anisotropic materials. The approach incorporates relativistic effects in terms of the transition tensor within the dipole-selection rule. In particular, the method accounts for relativistic corrections to the magic angle in orientation resolved EELS experiments. The approach is validated by a study of the graphite C  K edge, for which we present an accurate magic angle measurement consistent with the predicted value.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000277210500038 Publication Date 2010-04-13
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 24 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:82805UA @ admin @ c:irua:82805 Serial 2230
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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 (up) 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 Neek-Amal, M.; Peeters, F.M.
Title Nanoindentation of a circular sheet of bilayer graphene Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 23 Pages 235421,1-235421,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Nanoindentation of bilayer graphene is studied using molecular-dynamics simulations. We compared our simulation results with those from elasticity theory as based on the nonlinear Föppl-Hencky equations with rigid boundary condition. The force-deflection values of bilayer graphene are compared to those of monolayer graphene. Youngs modulus of bilayer graphene is estimated to be 0.8 TPa which is close to the value for graphite. Moreover, an almost flat bilayer membrane at low temperature under central load has a 14% smaller Youngs modulus as compared to the one at room temperature.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000278710800003 Publication Date 2010-06-11
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 108 Open Access
Notes ; We gratefully acknowledge comments from R. Asgari. M.N.-A. would like to thank the Universiteit of Antwerpen for its hospitality where part of this work was performed. This work was supported by the Flemish science foundation (FWO-V1) and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83093 Serial 2259
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Author Hadermann, J.; Abakumov, A.M.; Perkisas, T.; d' Hondt, H.; Tan, H.; Verbeeck, J.; Filonenko, V.P.; Antipov, E.V.; Van Tendeloo, G.
Title New perovskite-based manganite Pb2Mn2O5 Type A1 Journal article
Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 183 Issue 183 Pages 2190-2195
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new perovskite based compound Pb2Mn2O5 has been synthesized using a high pressure high temperature technique. The structure model of Pb2Mn2O5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1)Å≈√2a p p p (a p the parameter of the perovskite subcell) and space group Pnma. The Pb2Mn2O5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (1̄01) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO5 distorted tetragonal pyramids. The chains of MnO5 pyramids and the MnO6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations (left L and right R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -LRLR-sequence. The sequence is sometimes locally violated by the appearance of -LL- or -RR-fragments. A scheme is proposed with a JahnTeller distortion of the MnO6 octahedra with two long and two short bonds lying in the ac plane, along two perpendicular orientations within this plane, forming a d-type pattern.
Address
Corporate Author Thesis
Publisher (up) Place of Publication London Editor
Language Wos 000282139600041 Publication Date 2010-07-25
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 8 Open Access
Notes Fwo; Bof; Esteem 026019 Approved Most recent IF: 2.299; 2010 IF: 2.261
Call Number UA @ lucian @ c:irua:85472UA @ admin @ c:irua:85472 Serial 2332
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Author Brosens, F.; Magnus, W.
Title Newtonian trajectories : a powerful tool for solving quantum dynamics Type A1 Journal article
Year 2010 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 150 Issue 43/44 Pages 2102-2105
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Since Ehrenfests theorem, the role and importance of classical paths in quantum dynamics have been examined by several means. Along this line, we show that the classical equations of motion provide a solution to quantum dynamics, if appropriately incorporated into the Wigner distribution function, exactly reformulated in a type of Boltzmann equation. Also the quantum-mechanical features of the canonical ensemble can be studied in this framework of Newtonian dynamics, if the initial distribution function is appropriately constructed from the statistical operator.
Address
Corporate Author Thesis
Publisher (up) Place of Publication New York, N.Y. Editor
Language Wos 000284251700006 Publication Date 2010-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.554 Times cited 7 Open Access
Notes ; The authors thank J.T. Devreese and J. Tempere for interesting and helpful discussions, and, in particular, L.F. Lemmens for several valuable suggestions. One of the authors (F.B.) acknowledges the FWO projects G.0115.06 and G.0365.08 as well as the WOG project WO.033.09N, for financial support. ; Approved Most recent IF: 1.554; 2010 IF: 1.981
Call Number UA @ lucian @ c:irua:85795 Serial 2338
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Author Vlasov, I.I.; Shenderova, O.; Turner, S.; Lebedev, O.I.; Basov, A.A.; Sildos, I.; Rähn, M.; Shiryaev, A.A.; Van Tendeloo, G.
Title Nitrogen and luminescent nitrogen-vacancy defects in detonation nanodiamond Type A1 Journal article
Year 2010 Publication Small Abbreviated Journal Small
Volume 6 Issue 5 Pages 687-694
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract An efficient method to investigate the microstructure and spatial distribution of nitrogen and nitrogen-vacancy (N-V) defects in detonation nanodiamond (DND) with primary particle sizes ranging from approximately 3 to 50 nm is presented. Detailed analysis reveals atomic nitrogen concentrations as high as 3 at% in 50% of diamond primary particles with sizes smaller than 6 nm. A non-uniform distribution of nitrogen within larger primary DND particles is also presented, indicating a preference for location within the defective central part or at twin boundaries. A photoluminescence (PL) spectrum with well-pronounced zero-phonon lines related to the N-V centers is demonstrated for the first time for electron-irradiated and annealed DND particles at continuous laser excitation. Combined Raman and PL analysis of DND crystallites dispersed on a Si substrate leads to the conclusion that the observed N-V luminescence originates from primary particles with sizes exceeding 30 nm. These findings demonstrate that by manipulation of the size/nitrogen content in DND there are prospects for mass production of nanodiamond photoemitters based on bright and stable luminescence from nitrogen-related defects.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Weinheim Editor
Language Wos 000275972400013 Publication Date 2010-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810;1613-6829; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 84 Open Access
Notes Esteem 026019 Approved Most recent IF: 8.643; 2010 IF: 7.336
Call Number UA @ lucian @ c:irua:82364 Serial 2341
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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 (up) 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 (up) 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 Idrissi, H.; Renard, K.; Ryelandt, L.; Schryvers, D.; Jacques, P.J.
Title On the mechanism of twin formation in FeMnC TWIP steels Type A1 Journal article
Year 2010 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 58 Issue 7 Pages 2464-2476
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although it is well known that FeMnC TWIP steels exhibit high work-hardening rates, the elementary twinning mechanisms controlling the plastic deformation of these steels have still not been characterized. The aim of the present study is to analyse the extended defects related to the twinning occurrence using transmission electron microscopy. Based on these observations, the very early stage of twin nucleation can be attributed to the pole mechanism with deviation proposed by Cohen and Weertman or to the model of Miura, Takamura and Narita, while the twin growth is controlled by the pole mechanism proposed by Venables. High densities of sessile Frank dislocations are observed within the twins at the early stage of deformation, which can affect the growth and the stability of the twins, but also the strength of these twins and their interactions with the gliding dislocations present in the matrix. This experimental evidence is discussed and compared to recent results in order to relate the defects analysis to the macroscopic behaviour of this category of material.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Oxford Editor
Language Wos 000276523200018 Publication Date 2010-01-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 244 Open Access
Notes Iap Approved Most recent IF: 5.301; 2010 IF: 3.791
Call Number UA @ lucian @ c:irua:82270 Serial 2441
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Author Idrissi, H.; Renard, K.; Schryvers, D.; Jacques, P.J.
Title On the relationship between the twin internal structure and the work-hardening rate of TWIP steels Type A1 Journal article
Year 2010 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 63 Issue 10 Pages 961-964
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract FeMnC and FeMnSiAl TWIP steels deformed under the same conditions exhibit different work-hardening rates. The present study investigates the microstructure of plastically deformed FeMnC and FeMnSiAl samples, particularly the internal structure of the mechanically generated twins and their topology at the grain scale. Twins in the FeMnC steel are finer and full of sessile dislocations, rendering this material distinctly stronger with an improved work-hardening rate.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Oxford Editor
Language Wos 000282461800003 Publication Date 2010-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.747 Times cited 145 Open Access
Notes Iap Approved Most recent IF: 3.747; 2010 IF: 2.820
Call Number UA @ lucian @ c:irua:84472 Serial 2452
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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 (up) 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 Xu, W.; Dong, H.M.; Li, L.L.; Yao, J.Q.; Vasilopoulos, P.; Peeters, F.M.
Title Optoelectronic properties of graphene in the presence of optical phonon scattering Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 12 Pages 125304-125304,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study in detail the optoelectronic properties of graphene. Considering the electron interactions with photons and phonons, we employ the mass- and energy-balance equations to self-consistently evaluate the photoinduced carrier densities, the optical conductance, and the transmission coefficient in the presence of a linearly polarized radiation field. We demonstrate that the photoinduced carrier densities increase around the electron-photon-phonon resonant transition. They depend strongly on the radiation intensity and frequency, temperature, and dark carrier density. For short-wavelength radiation (L<3 μm), we obtain the universal optical conductance σ0=e2/(4ℏ). Importantly, there exists an optical-absorption window in the radiation wavelength range 4100 μm, which is induced by different transition energies required for interband and intraband optical absorption. The position and width of this window depend sensitively on the temperature and the carrier density of the system. These theoretical results are in line with recent experimental findings and indicate that graphene exhibits important features not only in the visible regime but also in the midinfrared bandwidth.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000281516500009 Publication Date 2010-09-03
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 28 Open Access
Notes ; This work was supported by the Chinese Academy of Sciences, National Natural Science Foundation of China, and Department of Science and Technology of Yunnan Province. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84260 Serial 2496
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Author Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
Title Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 Type A1 Journal article
Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 49 Issue 4 Pages 1295-1297
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Easton, Pa Editor
Language Wos 000274240700009 Publication Date 2010-01-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access
Notes Iap Iv Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:80990 Serial 2507
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