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Author Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V.
Title Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host Type A1 Journal article
Year 2011 Publication Optics express Abbreviated Journal Opt Express
Volume 19 Issue 17 Pages 15955-15964
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293894900033 Publication Date 2011-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1094-4087; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited 19 Open Access
Notes FWO; Methusalem Approved Most recent IF: 3.307; 2011 IF: 3.587
Call Number (down) UA @ lucian @ c:irua:92428 Serial 2776
Permanent link to this record
 
 
Author Klimczuk, T.; Wang, C.H.; Lawrence, J.M.; Xu, Q.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Trouw, F.; Kurita, N.; Tokiwa, Y.; Lee, H.o.; Booth, C.H.; Gardner, J.S.; Bauer, E.D.; Joyce, J.J.; Zandbergen, H.W.; Movshovich, R.; Cava, R.J.; Thompson, J.D.;
Title Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 7 Pages 075152-075152,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence-band photoemission (PES) and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb3+ is split by the crystalline electric field (CEF) into a Γ7-doublet ground state and a Γ8 quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ6-excited state resides at 32 meV; however, the Γ8/Γ6 transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K there is a peak in specific heat that is too broad to represent a magnetic-phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand this peak also is too narrow to represent the Kondo effect in the Γ7-doublet ground state. On the basis of the field dependence of the specific heat, we argue that antiferromagnetic (AF) short-range order (SRO) (possibly coexisting with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293830800003 Publication Date 2011-08-15
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 8 Open Access
Notes Esteem 026019 Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number (down) UA @ lucian @ c:irua:92427 Serial 555
Permanent link to this record
 
 
Author Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D.
Title A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics Type A1 Journal article
Year 2011 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 59 Issue 15 Pages 6124-6132
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000294086900026 Publication Date 2011-07-22
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 8 Open Access
Notes Approved Most recent IF: 5.301; 2011 IF: 3.755
Call Number (down) UA @ lucian @ c:irua:92388 Serial 3911
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Author Parente, A.; Gorlé, C.; van Beeck, J.; Benocci, C.
Title A comprehensive modelling approach for the neutral atmospheric boundary layer : consistent inflow conditions, wall function and turbulence model Type A1 Journal article
Year 2011 Publication Boundary-layer meteorology Abbreviated Journal Bound-Lay Meteorol
Volume 140 Issue 3 Pages 411-428
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on a novel approach for the Reynolds-averaged Navier-Stokes (RANS) modelling of the neutral atmospheric boundary layer (ABL), using the standard k− turbulence model. A new inlet condition for turbulent kinetic energy is analytically derived from the solution of the k− model transport equations, resulting in a consistent set of fully developed inlet conditions for the neutral ABL. A modification of the standard k− model is also employed to ensure consistency between the inlet conditions and the turbulence model. In particular, the turbulence model constant C μ is generalized as a location-dependent parameter, and a source term is introduced in the transport equation for the turbulent dissipation rate. The application of the proposed methodology to cases involving obstacles in the flow is made possible through the implementation of an algorithm, which automatically switches the turbulence model formulation when going from the region where the ABL is undisturbed to the region directly affected by the building. Finally, the model is completed with a slightly modified version of the Richards and Hoxey rough-wall boundary condition. The methodology is implemented and tested in the commercial code Ansys Fluent 12.1. Results are presented for a neutral boundary layer over flat terrain and for the flow around a single building immersed in an ABL.
Address
Corporate Author Thesis
Publisher Place of Publication Dordrecht Editor
Language Wos 000293923800004 Publication Date 2011-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0006-8314;1573-1472; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.573 Times cited 54 Open Access
Notes Approved Most recent IF: 2.573; 2011 IF: 1.737
Call Number (down) UA @ lucian @ c:irua:92341 Serial 450
Permanent link to this record
 
 
Author Fang, C.M.; van Huis, M.A.; Jansen, J.; Zandbergen, H.W.
Title Role of carbon and nitrogen in Fe2C and Fe2N from first-principles calculations Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 9 Pages 094102-094102,10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000294772800003 Publication Date 2011-09-09
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 Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number (down) UA @ lucian @ c:irua:92327 Serial 2912
Permanent link to this record
 
 
Author de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M.
Title Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study Type A1 Journal article
Year 2011 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 144 Issue 1/3 Pages 120-133
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000293435400016 Publication Date 2011-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited 15 Open Access
Notes Approved Most recent IF: 3.615; 2011 IF: 3.285
Call Number (down) UA @ lucian @ c:irua:92325 Serial 1380
Permanent link to this record
 
 
Author Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C.
Title Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals Type A1 Journal article
Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 21 Issue 31 Pages 11556-11565
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000293190200018 Publication Date 2011-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 44 Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:91945 Serial 3632
Permanent link to this record
 
 
Author Orlinskii, S.B.; Bogomolov, R.S.; Kiyamova, A.M.; Yavkin, B.V.; Mamin, G.M.; Turner, S.; Van Tendeloo, G.; Shiryaev, A.A.; Vlasov, I.I.; Shenderova, O.
Title Identification of substitutional nitrogen and surface paramagnetic centers in nanodiamond of dynamic synthesis by electron paramagnetic resonance Type A1 Journal article
Year 2011 Publication Nanoscience and nanotechnology letters Abbreviated Journal Nanosci Nanotech Let
Volume 3 Issue 1 Pages 63-67
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Production of nanodiamond particles containing substitutional nitrogen is important for a wide variety of advanced applications. In the current work nanodiamond particles synthesized from a mixture of graphite and hexogen were analyzed to determine the presence of substitutional nitrogen using pulsed electron paramagnetic resonance (EPR) spectroscopy. Nitrogen paramagnetic centers in the amount of 1.2 ppm have been identified. The spin relaxation characteristics for both nitrogen and surface defects are also reported. A new approach for efficient depletion of the strong non-nitrogen EPR signal in nanodiamond material by immersing nanodiamond particles into ice matrix is suggested. This approach allows an essential decrease of the spin relaxation time of the dominant non-nitrogen defects, while preserving the substitutional nitrogen spin relaxation time.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293211200012 Publication Date 2011-09-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1941-4900;1941-4919; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.889 Times cited 14 Open Access
Notes Approved Most recent IF: 1.889; 2011 IF: 0.528
Call Number (down) UA @ lucian @ c:irua:91943 Serial 1548
Permanent link to this record
 
 
Author Simon, Q.; Barreca, D.; Bekermann, D.; Gasparotto, A.; Maccato, C.; Comini, E.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Devi, A.; Fischer, R.A.; Van Tendeloo, G.
Title Plasma-assisted synthesis of Ag/ZnO nanocomposites : first example of photo-induced H2 production and sensing Type A1 Journal article
Year 2011 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
Volume 36 Issue 24 Pages 15527-15537
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ag/ZnO nanocomposites were developed by a plasma-assisted approach. The adopted strategy exploits the advantages of Plasma Enhanced-Chemical Vapor Deposition (PE-CVD) for the growth of columnar ZnO arrays on Si(100) and Al2O3 substrates, in synergy with the infiltration power of the Radio Frequency (RF)-sputtering technique for the subsequent dispersion of different amounts of Ag nanoparticles (NPs). The resulting composites, both as-prepared and after annealing in air, were thoroughly characterized with particular attention on their morphological organization, structure and composition. For the first time, the above systems have been used as catalysts in the production of hydrogen by photo-reforming of alcoholic solutions, yielding a stable H2 evolution even by the sole use of simulated solar radiation. In addition, Ag/ZnO nanocomposites presented an excellent response in the gas-phase detection of H2, opening attractive perspectives for advanced technological applications.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000297089700006 Publication Date 2011-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 62 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 3.582; 2011 IF: 4.054
Call Number (down) UA @ lucian @ c:irua:91901 Serial 2627
Permanent link to this record
 
 
Author Quintana, M.; Montellano, A.; Esau del Rio Castillo, A.; Van Tendeloo, G.; Bittencourt, C.; Prato, M.
Title Selective organic functionalization of graphene bulk or graphene edges Type A1 Journal article
Year 2011 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 47 Issue 33 Pages 9330-9332
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Graphene sheets have been functionalized with a PAMAM dendron, finding that graphene can be efficiently functionalized all over the surface, or only at the edges, depending on the reactions used in the functionalization process.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000293648200010 Publication Date 2011-07-20
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 84 Open Access
Notes Approved Most recent IF: 6.319; 2011 IF: 6.169
Call Number (down) UA @ lucian @ c:irua:91892 Serial 2968
Permanent link to this record
 
 
Author Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P.
Title Atomic oxygen functionalization of vertically aligned carbon nanotubes Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 42 Pages 20412-20418
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000296205600009 Publication Date 2011-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 31 Open Access
Notes Iap Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number (down) UA @ lucian @ c:irua:91890 Serial 174
Permanent link to this record
 
 
Author Corthals, S.; van Noyen, J.; Liang, D.; Ke, X.; Van Tendeloo, G.; Jacobs, P.; Sels, B.
Title A cyclic catalyst pretreatment in CO2 for high yield production of Carbon nanofibers with narrow diameter distribution Type A1 Journal article
Year 2011 Publication Catalysis letters Abbreviated Journal Catal Lett
Volume 141 Issue 11 Pages 1621-1624
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This paper presents a cyclic catalyst pretreatment process to improve the CNF yield with narrow size distribution by sequentially feeding the CVD reactor with CH4/CO2 mixtures (carbon deposition) and CO2 (carbon removal) prior to the actual growth process. A mechanism based on a break-up of large Ni particles tentatively explains the beneficial effect of the cyclic carbon deposition/removal CVD procedure.
Address
Corporate Author Thesis
Publisher Place of Publication Basel Editor
Language Wos 000296471400006 Publication Date 2011-09-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1011-372X;1572-879X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.799 Times cited 1 Open Access
Notes Iwt; Iap Approved Most recent IF: 2.799; 2011 IF: 2.242
Call Number (down) UA @ lucian @ c:irua:91888 Serial 598
Permanent link to this record
 
 
Author Kalkert, C.; Krisponeit, J.-O.; Esseling, M.; Lebedev, O.I.; Moshnyaga, V.; Damaschke, B.; Van Tendeloo, G.; Samwer, K.
Title Resistive switching at manganite/manganite interfaces Type A1 Journal article
Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 99 Issue 13 Pages 132512-132512,3
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report bipolar resistive switching between the interfaces of manganite nanocolumns. La0.7Sr0.3MnO3 films were prepared on Al2O3 substrates, where the films grow in nanocolumns from the substrate to the surface. Conductive atomic force microscopy directly detects that the resistive switching is located at the boundaries of the grains. Furthermore, mesoscopic transport measurements reveal a tunnel magnetoresistance. In combination with the resistive switching, this leads to a total of four different resistive states.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000295618000052 Publication Date 2011-09-29
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 10 Open Access
Notes Approved Most recent IF: 3.411; 2011 IF: 3.844
Call Number (down) UA @ lucian @ c:irua:91884 Serial 2881
Permanent link to this record
 
 
Author Schattschneider, P.; Verbeeck, J.
Title Theory of free electron vortices Type A1 Journal article
Year 2011 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 111 Issue 9/10 Pages 1461-1468
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The recent creation of electron vortex beams and their first practical application motivates a better understanding of their properties. Here, we develop the theory of free electron vortices with quantized angular momentum, based on solutions of the Schrödinger equation for cylindrical boundary conditions. The principle of transformation of a plane wave into vortices with quantized angular momentum, their paraxial propagation through round magnetic lenses, and the effect of partial coherence are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000300461200002 Publication Date 2011-07-26
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 57 Open Access
Notes Esteem 026019 Approved Most recent IF: 2.843; 2011 IF: 2.471
Call Number (down) UA @ lucian @ c:irua:91882 Serial 3617
Permanent link to this record
 
 
Author de Backer, A.; Van Aert, S.; van Dyck, D.
Title High precision measurements of atom column positions using model-based exit wave reconstruction Type A1 Journal article
Year 2011 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 111 Issue 9/10 Pages 1475-1482
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000300461200004 Publication Date 2011-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 8 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2011 IF: 2.471
Call Number (down) UA @ lucian @ c:irua:91879 Serial 1438
Permanent link to this record
 
 
Author Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H.
Title Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 1 Pages 014429-014429,16
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293247400008 Publication Date 2011-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 47 Open Access
Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number (down) UA @ lucian @ c:irua:91770 Serial 2588
Permanent link to this record
 
 
Author Sels, D.; Sorée, B.; Groeseneken, G.
Title 2-D rotational invariant multi sub band Schrödinger-Poisson solver to model nanowire transistors Type A1 Journal article
Year 2010 Publication Abbreviated Journal
Volume Issue Pages 85-88
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Pisa University Press Place of Publication Pisa Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title 14th International Workshop on Computational Electronics
Series Volume Series Issue Edition
ISSN 978-1-4244-9381-4 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:91699 Serial 6
Permanent link to this record
 
 
Author Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.
Title New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis Type A1 Journal article
Year 2011 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume Issue 27 Pages 4234-4240
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000296143500014 Publication Date 2011-08-17
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 7 Open Access
Notes Fwo Approved Most recent IF: 2.444; 2011 IF: 3.049
Call Number (down) UA @ lucian @ c:irua:91574 Serial 2315
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Author Tan, H.; Turner, S.; Yücelen, E.; Verbeeck, J.; Van Tendeloo, G.
Title 2D atomic mapping of oxidation states in transition metal oxides by scanning transmission electron microscopy and electron energy-loss spectroscopy Type A1 Journal article
Year 2011 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 107 Issue 10 Pages 107602
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Using a combination of high-angle annular dark-field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy in an aberration-corrected transmission electron microscope we demonstrate the possibility of 2D atom by atom valence mapping in the mixed valence compound Mn3O4. The Mn L2,3 energy-loss near-edge structures from Mn2+ and Mn3+ cation sites are similar to those of MnO and Mn2O3 references. Comparison with simulations shows that even though a local interpretation is valid here, intermixing of the inelastic signal plays a significant role. This type of experiment should be applicable to challenging topics in materials science, such as the investigation of charge ordering or single atom column oxidation states in, e.g., dislocations.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000294406600018 Publication Date 2011-09-01
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 115 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 8.462; 2011 IF: 7.370
Call Number (down) UA @ lucian @ c:irua:91265 c:irua:91265 c:irua:91265UA @ admin @ c:irua:91265 Serial 5
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Author Bals, S.; Casavola, M.; van Huis, M.A.; Van Aert, S.; Batenburg, K.J.; Van Tendeloo, G.; Vanmaekelbergh, D.
Title Three-dimensional atomic imaging of colloidal core-shell nanocrystals Type A1 Journal article
Year 2011 Publication Nano letters Abbreviated Journal Nano Lett
Volume 11 Issue 8 Pages 3420-3424
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Colloidal coreshell semiconductor nanocrystals form an important class of optoelectronic materials, in which the exciton wave functions can be tailored by the atomic configuration of the core, the interfacial layers, and the shell. Here, we provide a trustful 3D characterization at the atomic scale of a free-standing PbSe(core)CdSe(shell) nanocrystal by combining electron microscopy and discrete tomography. Our results yield unique insights for understanding the process of cation exchange, which is widely employed in the synthesis of coreshell nanocrystals. The study that we present is generally applicable to the broad range of colloidal heteronanocrystals that currently emerge as a new class of materials with technological importance.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000293665600062 Publication Date 2011-07-25
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 121 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 12.712; 2011 IF: 13.198
Call Number (down) UA @ lucian @ c:irua:91263 Serial 3643
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Author Lin, H.; Ohta, T.; Paul, A.; Hutchison, J.A.; Kirilenko, D.; Lebedev, O.; Van Tendeloo, G.; Hofkens, J.; Uji-i, H.
Title Light-assisted nucleation of silver nanowires during polyol synthesis Type A1 Journal article
Year 2011 Publication Journal of photochemistry and photobiology: A: chemistry Abbreviated Journal J Photoch Photobio A
Volume 221 Issue 2/3 Pages 220-223
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This report describes the effect of light irradiation on the synthesis of silver nanowires by the well-known polyol method. High quality nanowires are produced in high yields when the reaction suspension is irradiated with 400500 nm light during the nucleation stage. These studies suggest that light accelerates the formation of the nanoparticle seeds most appropriate for nanowire growth.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000293813800018 Publication Date 2011-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1010-6030; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.625 Times cited 24 Open Access
Notes Fwo; Iap Approved Most recent IF: 2.625; 2011 IF: 2.421
Call Number (down) UA @ lucian @ c:irua:91262 Serial 1818
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Author Goris, B.; Bals, S.; van den Broek, W.; Verbeeck, J.; Van Tendeloo, G.
Title Exploring different inelastic projection mechanisms for electron tomography Type A1 Journal article
Year 2011 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 111 Issue 8 Pages 1262-1267
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Several different projection mechanisms that all make use of inelastically scattered electrons are used for electron tomography. The advantages and the disadvantages of these methods are compared to HAADFSTEM tomography, which is considered as the standard electron tomography technique in materials science. The different inelastic setups used are energy filtered transmission electron microscopy (EFTEM), thickness mapping based on the log-ratio method and bulk plasmon mapping. We present a comparison that can be used to select the best inelastic signal for tomography, depending on different parameters such as the beam stability and nature of the sample. The appropriate signal will obviously also depend on the exact information which is requested.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000300461100039 Publication Date 2011-03-07
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 21 Open Access
Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 2.843; 2011 IF: 2.471
Call Number (down) UA @ lucian @ c:irua:91260UA @ admin @ c:irua:91260 Serial 1151
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Author Shenderova, O.A.; Vlasov, I.I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S.B.; Shiryaev, A.A.; Khomich, A.A.; Sulyanov, S.N.; Jelezko, F.; Wrachtrup, J.
Title Nitrogen control in nanodiamond produced by detonation shock-wave-assisted synthesis Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 29 Pages 14014-14024
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Development of efficient production methods of nanodiamond (ND) particles containing substitutional nitrogen and nitrogen-vacancy (NV) complexes remains an important goal in the nanodiamond community. ND synthesized from explosives is generally not among the preferred candidates for imaging applications owing to lack of optically active particles containing NV centers. In this paper, we have systematically studied representative classes of NDs produced by detonation shock wave conversion of different carbon precursor materials, namely, graphite and a graphite/hexogen mixture into ND, as well as ND produced from different combinations of explosives using different cooling methods (wet or dry cooling). We demonstrate that (i) the N content in nanodiamond particles can be controlled through a correct selection of the carbon precursor material (addition of graphite, explosives composition); (ii) particles larger than approximately 20 nm may contain in situ produced optically active NV centers, and (iii) in ND produced from explosives, NV centers are detected only in ND produced by wet synthesis. ND synthesized from a mixture of graphite/explosive contains the largest amount of NV centers formed during synthesis and thus deserves special attention.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000292892500009 Publication Date 2011-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 54 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number (down) UA @ lucian @ c:irua:91259 Serial 2342
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Author King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V.
Title The high-temperature polymorphs of K3AlF6 Type A1 Journal article
Year 2011 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 50 Issue 16 Pages 7792-7801
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000293493100052 Publication Date 2011-07-11
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 19 Open Access
Notes Approved Most recent IF: 4.857; 2011 IF: 4.601
Call Number (down) UA @ lucian @ c:irua:91131 Serial 1468
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Author Hezareh, T.; Razavi, F.S.; Kremer, R.K.; Habermeier, H.-U.; Lebedev, O.I.; Kirilenko, D.; Van Tendeloo, G.
Title Effect of PbZr0.52Ti0.48O3 thin layer on structure, electronic and magnetic properties of La0.65Sr0.35MnO3 and La0.65Ca0.30MnO3 thin-films Type A1 Journal article
Year 2011 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 109 Issue 11 Pages 113707,1-113707,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Epitaxial thin film heterostructures of high dielectric PbZr<sub>1-x</sub>Ti<sub>x</sub>O<sub>3</sub> (PZT) and La<sub>1-x</sub>A<sub>x</sub>MnO<sub>3</sub> (A-divalent alkaline earth metals such as Sr (LSMO) and Ca (LCMO)) were grown on SrTiO<sub>3</sub> substrates and their structure, temperature dependence of electrical resistivity, and magnetization were investigated as a function of the thickness of the LSMO(LCMO) layer. The microstructures of the samples were analyzed by TEM. By applying an electric field across the PZT layer, we applied a ferrodistortive pressure on the manganite layer and studied the correlations between lattice distortion and electric transport and magnetic properties of the CMR materials.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000292214700069 Publication Date 2011-06-06
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 4 Open Access
Notes Approved Most recent IF: 2.068; 2011 IF: 2.168
Call Number (down) UA @ lucian @ c:irua:90964 Serial 843
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Author Dixon, E.; Hadermann, J.; Hayward, M.A.
Title The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 Type A1 Journal article
Year 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 184 Issue 7 Pages 1791-1799
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000292718500032 Publication Date 2011-05-26
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 Approved Most recent IF: 2.299; 2011 IF: 2.159
Call Number (down) UA @ lucian @ c:irua:90885 Serial 3600
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Author Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Accurate pseudopotential description of the GW bandstructure of ZnO Type A1 Journal article
Year 2011 Publication Computer physics communications Abbreviated Journal Comput Phys Commun
Volume 182 Issue 9 Pages 2029-2031
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000292675100062 Publication Date 2011-02-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4655; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.936 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.936; 2011 IF: 3.268
Call Number (down) UA @ lucian @ c:irua:90761 Serial 51
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Author Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
Title Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study Type A1 Journal article
Year 2011 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 510 Issue 1/3 Pages 14-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000291478400002 Publication Date 2011-05-20
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 14 Open Access
Notes Approved Most recent IF: 1.815; 2011 IF: 2.337
Call Number (down) UA @ lucian @ c:irua:90453 Serial 3625
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Author Afanasov, I.M.; Van Tendeloo, G.
Title Zirconia-modified exfoliated graphite Type A1 Journal article
Year 2011 Publication Inorganic materials Abbreviated Journal Inorg Mater+
Volume 47 Issue 6 Pages 603-608
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000291698100008 Publication Date 2011-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1685;1608-3172; ISBN Additional Links UA library record; WoS full record
Impact Factor 0.62 Times cited Open Access
Notes Approved Most recent IF: 0.62; 2011 IF: 0.414
Call Number (down) UA @ lucian @ c:irua:90447 Serial 3933
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Author Turner, S.; Lazar, S.; Freitag, B.; Egoavil, R.; Verbeeck, J.; Put, S.; Strauven, Y.; Van Tendeloo, G.
Title High resolution mapping of surface reduction in ceria nanoparticles Type A1 Journal article
Year 2011 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 3 Issue 8 Pages 3385-3390
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Surface reduction of ceria nano octahedra with predominant {111} and {100} type surfaces is studied using a combination of aberration-corrected Transmission Electron Microscopy (TEM) and spatially resolved electron energy-loss spectroscopy (EELS) at high energy resolution and atomic spatial resolution. The valency of cerium ions at the surface of the nanoparticles is mapped using the fine structure of the Ce M4,5 edge as a fingerprint. The valency of the surface cerium ions is found to change from 4+ to 3+ owing to oxygen deficiency (vacancies) close to the surface. The thickness of this Ce3+ shell is measured using atomic-resolution Scanning Transmission Electron Microscopy (STEM)-EELS mapping over a {111} surface (the predominant facet for this ceria morphology), {111} type surface island steps and {100} terminating planes. For the {111} facets and for {111} surface islands, the reduction shell is found to extend over a single fully reduced surface plane and 12 underlying mixed valency planes. For the {100} facets the reduction shell extends over a larger area of 56 oxygen vacancy-rich planes. This finding provides a plausible explanation for the higher catalytic activity of the {100} surface facets in ceria.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000293521700057 Publication Date 2011-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 127 Open Access
Notes Fwo Approved Most recent IF: 7.367; 2011 IF: 5.914
Call Number (down) UA @ lucian @ c:irua:90361UA @ admin @ c:irua:90361 Serial 1458
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