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Author Chen, D.; Goris, B.; Bleichrodt, F.; Heidari Mezerji, H.; Bals, S.; Batenburg, K.J.; de With, G.; Friedrich, H.
Title The properties of SIRT, TVM, and DART for 3D imaging of tubular domains in nanocomposite thin-films and sections Type A1 Journal article
Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 147 Issue Pages 137-148
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In electron tomography, the fidelity of the 3D reconstruction strongly depends on the employed reconstruction algorithm. In this paper, the properties of SIRT, TVM and DART reconstructions are studied with respect to having only a limited number of electrons available for imaging and applying different angular sampling schemes. A well-defined realistic model is generated, which consists of tubular domains within a matrix having slab-geometry. Subsequently, the electron tomography workflow is simulated from calculated tilt-series over experimental effects to reconstruction. In comparison with the model, the fidelity of each reconstruction method is evaluated qualitatively and quantitatively based on global and local edge profiles and resolvable distance between particles. Results show that the performance of all reconstruction methods declines with the total electron dose. Overall, SIRT algorithm is the most stable method and insensitive to changes in angular sampling. TVM algorithm yields significantly sharper edges in the reconstruction, but the edge positions are strongly influenced by the tilt scheme and the tubular objects become thinned. The DART algorithm markedly suppresses the elongation artifacts along the beam direction and moreover segments the reconstruction which can be considered a significant advantage for quantification. Finally, no advantage of TVM and DART to deal better with fewer projections was observed.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000343157400015 Publication Date 2014-08-19
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 42 Open Access OpenAccess
Notes (up) Fwo Approved Most recent IF: 2.843; 2014 IF: 2.436
Call Number UA @ lucian @ c:irua:119073 Serial 2729
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Author Cao, S.; Pourbabak, S.; Schryvers, D.
Title Quantitative 3-D morphologic and distributional study of Ni4Ti3 precipitates in a Ni51Ti49 single crystal alloy Type A1 Journal article
Year 2012 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 66 Issue 9 Pages 650-653
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The size, shape and distribution of Ni4Ti3 precipitates in Ni51Ti49 single crystals annealed under stress-free and 〈1 1 1〉B2 compressive conditions are studied via focused ion beam/scanning electron microscopy slice-and-view. The precipitates in the stress-free material grow in autocatalytic pockets with larger size, lower number density, flatter shape and larger inter-particle distance than in the compressed material. Nevertheless, a new quantification method called water penetration reveals that, due to the precipitate alignment, martensite can grow more easily in the compressed material perpendicular to the compression direction.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000302425100010 Publication Date 2012-01-30
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 8 Open Access
Notes (up) Fwo Approved Most recent IF: 3.747; 2012 IF: 2.821
Call Number UA @ lucian @ c:irua:97387 Serial 2743
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Author Cao, S.; Nishida, M.; Schryvers, D.
Title Quantitative three-dimensional analysis of Ni4Ti3 precipitate morphology and distribution in polycrystalline Ni-Ti Type A1 Journal article
Year 2011 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 59 Issue 4 Pages 1780-1789
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates in a Ni50.8Ti49.2 polycrystalline shape memory alloy with a heterogeneous microstructure have been investigated using a focused ion beam/scanning electron microscopy slice-and-view procedure. The mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured and/or calculated. The morphology of the precipitates was quantified by determining the equivalent ellipsoids with the same moments of inertia and classified according to the Zingg scheme. Also, the pair distribution functions describing the three-dimensional distributions were obtained from the coordinates of the precipitate mass centres. Based on this new data it is suggested that the existence of the heterogeneous microstructure could be due to a very small concentration gradient in the grains of the homogenized material and that the resulting multistage martensitic transformation originates in strain effects related to the size of the precipitates and scale differences of the available B2 matrix in between the precipitates.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000287265100045 Publication Date 2010-12-20
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 34 Open Access
Notes (up) Fwo Approved Most recent IF: 5.301; 2011 IF: 3.755
Call Number UA @ lucian @ c:irua:85533 Serial 2766
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Author Dixit, H.; Lamoen, D.; Partoens, B.
Title Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions Type A1 Journal article
Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 25 Issue 3 Pages 035501-35505
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000313100500010 Publication Date 2012-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 7 Open Access
Notes (up) Fwo Approved Most recent IF: 2.649; 2013 IF: 2.223
Call Number UA @ lucian @ c:irua:105296 Serial 2801
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Author Wang, X.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J.
Title R-phase transition and related mechanical properties controlled by low-temperature aging treatment in a Ti50.8 at.% Ni thin wire Type A1 Journal article
Year 2014 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 72-73 Issue Pages 21-24
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A cold-drawn Ti50.8 at.% Ni wire was annealed at 600 °C for 30 min, followed by aging at 250 °C for different times. A microstructure with small grains and nanoscaled precipitates was obtained. The thermally induced martensite transformation is suppressed in the samples aged for 4 h or longer, leaving a one-stage R-phase transition between −150 and +150 °C. The transformation behavior, work output and recovery stress associated with the R-phase transition are presented.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000329148500006 Publication Date 2013-10-17
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 27 Open Access
Notes (up) Fwo Approved Most recent IF: 3.747; 2014 IF: 3.224
Call Number UA @ lucian @ c:irua:111847 Serial 2806
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Author Van Aert, S.; van Dyck, D.; den Dekker, A.J.
Title Resolution of coherent and incoherent imaging systems reconsidered: classical criteria and a statistical alternative Type A1 Journal article
Year 2006 Publication Optics express Abbreviated Journal Opt Express
Volume 14 Issue 9 Pages 3830-3839
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000237296200013 Publication Date 2006-05-04
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 45 Open Access
Notes (up) Fwo Approved Most recent IF: 3.307; 2006 IF: 4.009
Call Number UA @ lucian @ c:irua:58262 Serial 2883
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Author Angelomé, P.C.; Heidari Mezerji, H.; Goris, B.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Liz-Marzán, L.M.
Title Seedless synthesis of single crystalline Au nanoparticles with unusual shapes and tunable LSPR in the near-IR Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 7 Pages 1393-1399
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The plasmonic properties of metal nanoparticles have acquired great importance because of their potential applications in very diverse fields. Metal nanoparticles with localized surface plasmon resonances (LSPR) in the near-infrared (NIR, 7501300 nm) are of particular interest because tissues, blood, and water display low absorption in this spectral range, thus facilitating biomedical applications. Cetyltrimethylammonium chloride (CTAC) was used to induce the seedless formation of highly anisotropic, twisted single crystalline Au nanoparticles in a single step. The LSPR of the obtained particles can be tuned from 600 nm up to 1400 nm by simply changing the reaction temperature or the reagents concentrations. The tunability of the LSPR is closely associated with significant changes in the final particle morphology, which was studied by advanced electron microscopy techniques (3D Tomography and HAADF-STEM). Kinetic experiments were carried out to establish the growth mechanism, suggesting that slow kinetics together with the complexation of the gold salt precursor to CTAC are key factors favoring the formation of these anisotropic particles.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000302487500020 Publication Date 2012-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 42 Open Access
Notes (up) Fwo Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number UA @ lucian @ c:irua:97388 Serial 2959
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Author Schutyser, W.; Van den Bosch, S.; Dijkmans, J.; Turner, S.; Meledina, M.; Van Tendeloo, G.; Debecker, D.P.; Sels, B.F.
Title Selective nickel-catalyzed conversion of model and lignin-derived phenolic compounds to cyclohexanone-based polymer building blocks Type A1 Journal article
Year 2015 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 8 Issue 8 Pages 1805-1818
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Valorization of lignin is essential for the economics of future lignocellulosic biorefineries. Lignin is converted into novel polymer building blocks through four steps: catalytic hydroprocessing of softwood to form 4-alkylguaiacols, their conversion into 4-alkylcyclohexanols, followed by dehydrogenation to form cyclohexanones, and Baeyer-Villiger oxidation to give caprolactones. The formation of alkylated cyclohexanols is one of the most difficult steps in the series. A liquid-phase process in the presence of nickel on CeO2 or ZrO2 catalysts is demonstrated herein to give the highest cyclohexanol yields. The catalytic reaction with 4-alkylguaiacols follows two parallel pathways with comparable rates: 1) ring hydrogenation with the formation of the corresponding alkylated 2-methoxycyclohexanol, and 2) demethoxylation to form 4-alkylphenol. Although subsequent phenol to cyclohexanol conversion is fast, the rate is limited for the removal of the methoxy group from 2-methoxycyclohexanol. Overall, this last reaction is the rate-limiting step and requires a sufficient temperature (> 250 degrees C) to overcome the energy barrier. Substrate reactivity (with respect to the type of alkyl chain) and details of the catalyst properties (nickel loading and nickel particle size) on the reaction rates are reported in detail for the Ni/CeO2 catalyst. The best Ni/CeO2 catalyst reaches 4-alkylcyclohexanol yields over 80 %, is even able to convert real softwood-derived guaiacol mixtures and can be reused in subsequent experiments. A proof of principle of the projected cascade conversion of lignocellulose feedstock entirely into caprolactone is demonstrated by using Cu/ZrO2 for the dehydrogenation step to produce the resultant cyclohexanones (approximate to 80%) and tin-containing beta zeolite to form 4-alkyl-e-caprolactones in high yields, according to a Baeyer-Villiger-type oxidation with H2O2.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000355220300020 Publication Date 2015-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.226 Times cited 71 Open Access
Notes (up) Fwo Approved Most recent IF: 7.226; 2015 IF: 7.657
Call Number c:irua:126406 Serial 2967
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Author Shestakov, M.V.; Meledina, M.; Turner, S.; Tikhomirov, V.K.; Verellen, N.; Rodríguez, V.D.; Velázquez, J.J.; Van Tendeloo, G.; Moshchalkov, V.V.
Title The size and structure of Ag particles responsible for surface plasmon effects and luminescence in Ag homogeneously doped bulk glass Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 114 Issue 7 Pages 073102-73105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract As-prepared and heat-treated oxyfluoride glasses, co-doped with Ag nanoclusters/nanoparticles, are prepared at 0.15 at. % Ag concentration. The as-prepared glass shows an absorption band in the UV/violet attributed to the presence of amorphous Ag nanoclusters with an average size of 1.1 nm. The luminescence spectra of the untreated glass can also be ascribed to these Ag nanoclusters. Upon heat-treatment, the clusters coalesce into Ag nanoparticles with an average size of 2.3 nm, and the glasses show an extra surface plasmon absorption band in the visible. These particles, however, cease to emit due to ascribing plasmonic properties of bulk silver.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000323510900003 Publication Date 2013-08-16
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 19 Open Access
Notes (up) Fwo Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:109455 Serial 3031
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Author Tian, H.; Schryvers, D.; Liu, D.; Jiang, Q.; van Humbeeck, J.
Title Stability of Ni in nitinol oxide surfaces Type A1 Journal article
Year 2011 Publication Acta biomaterialia Abbreviated Journal Acta Biomater
Volume 7 Issue 2 Pages 892-899
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The stability of Ni in titanium oxide surface layers on nitinol wires known to release certain amounts of Ni was investigated by first principles density functional theory and transmission electron microscopy. The oxides were identified as a combination of TiO and TiO2 depending on the thickness of the layer. The calculations indicate that free Ni atoms can exist in TiO at ambient temperature while Ni particles form in TiO2, which was confirmed by the transmission electron microscopy observations. The results are discussed with respect to surface stability and Ni release due to free Ni atoms and Ni particles.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000286707700047 Publication Date 2010-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-7061; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 39 Open Access
Notes (up) Fwo Approved Most recent IF: 6.319; 2011 IF: 4.865
Call Number UA @ lucian @ c:irua:85998 Serial 3128
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Author van Dyck, D.; Croitoru, M.D.
Title Statistical method for thickness measurement of amorphous objects Type A1 Journal article
Year 2007 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 90 Issue 24 Pages 241911-241913
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT); Vision lab
Abstract The authors propose a nondestructive method for the determination of the thickness of an amorphous sample. This method is based on the statistics of the phase of the electron exit wave function, which depend on the number of atoms traversed by the incident electron which itself is a function of the thickness of the object. The accuracy of this method has been checked numerically by the multislice method and compared with that based on the mean inner potential. (c) 2007 American Institute of Physics.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000247305400033 Publication Date 2007-06-14
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 4 Open Access
Notes (up) Fwo Approved Most recent IF: 3.411; 2007 IF: 3.596
Call Number UA @ lucian @ c:irua:102671 Serial 3158
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Author Vanhumbeeck, J.-F.; Tian, H.; Schryvers, D.; Proost, J.
Title Stress-assisted crystallisation in anodic titania Type A1 Journal article
Year 2011 Publication Corrosion science Abbreviated Journal Corros Sci
Volume 53 Issue 4 Pages 1269-1277
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The relationship between the microstructural and internal stress evolution during Ti anodising is discussed. Samples anodised galvanostatically to 12 V and 40 V, corresponding to different stages of the internal stress evolution, were examined by in-plane and cross-section transmission electron microscopy. Electron diffraction patterns have been complemented with stoichiometry data obtained from energy loss near edge structure spectra. The sample anodised to 40 V was observed to consist of two regions, with a crystallised inner region adjacent to the metal/oxide interface. Crystallisation of this region is associated with the presence of large compressive internal stresses which build up during anodising up to 12 V.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000288972000016 Publication Date 2010-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-938X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited 11 Open Access
Notes (up) Fwo Approved Most recent IF: 5.245; 2011 IF: 3.734
Call Number UA @ lucian @ c:irua:88385 Serial 3177
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Author Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H.
Title Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets Type A1 Journal article
Year 2013 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 68 Issue 5 Pages 233-236
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000314012000003 Publication Date 2012-10-23
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 6 Open Access
Notes (up) Fwo Approved Most recent IF: 3.747; 2013 IF: 2.968
Call Number UA @ lucian @ c:irua:105288 Serial 3277
Permanent link to this record
 

 
Author Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P.
Title Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity Type A1 Journal article
Year 2012 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 156 Issue Pages 62-72
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000303625200010 Publication Date 2012-02-08
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 8 Open Access
Notes (up) Fwo Approved Most recent IF: 3.615; 2012 IF: 3.365
Call Number UA @ lucian @ c:irua:96910 Serial 3466
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Lebedev, O.I.; Parfenova, A.; Turner, S.; Tondello, E.; Van Tendeloo, G.
Title Tailored vapor-phase growth of CuxO-TiO2(x=1,2) nanomaterials decorated with Au particles Type A1 Journal article
Year 2011 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir
Volume 27 Issue 10 Pages 6409-6417
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the fabrication of CuxOTiO2 (x = 1, 2) nanomaterials by an unprecedented vapor-phase approach. The adopted strategy involves the growth of porous CuxO matrices by means of chemical vapor deposition (CVD), followed by the controlled dispersion of TiO2 nanoparticles. The syntheses are performed on Si(100) substrates at temperatures of 400550 °C under wet oxygen atmospheres, adopting Cu(hfa)2·TMEDA (hfa =1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) and Ti(O-iPr)2(dpm)2 (O-iPr = isopropoxy; dpm = 2,2,6,6-tetramethyl-3,5-heptanedionate) as copper and titanium precursors, respectively. Subsequently, finely dispersed gold nanoparticles are introduced in the as-prepared systems via radio frequency (RF)-sputtering under mild conditions. The synthesis process results in the formation of systems with chemical composition and nano-organization strongly dependent on the nature of the initial CuxO matrix and on the deposited TiO2 amount. The decoration with low-size gold clusters paves the way to the engineering of hierarchically organized nanomaterials.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000290292900082 Publication Date 2011-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0743-7463;1520-5827; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.833 Times cited 36 Open Access
Notes (up) Fwo Approved Most recent IF: 3.833; 2011 IF: 4.186
Call Number UA @ lucian @ c:irua:88940 Serial 3467
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Author Ji, G.; Tan, Z.; Shabadi, R.; Li, Z.; Grünewald, W.; Addad, A.; Schryvers, D.; Zhang, D.
Title Triple ion beam cutting of diamond/Al composites for interface characterization Type A1 Journal article
Year 2014 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 89 Issue Pages 132-137
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel triple ion beam cutting technique was employed to prepare high-quality surfaces of diamond/Al composites for interfacial characterization, which has been unachievable so far. Near-perfect and artifact-free surfaces were obtained without mechanical pre-polishing. Hence, the as-prepared surfaces are readily available for further study and also, ready to be employed in a focus ion beam system for preferential selection of transmission electron microscopy samples. Dramatically different diamond/Al interface configurations – sub-micrometer Al2O3 particles and clean interfaces were unambiguously revealed.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000333513400015 Publication Date 2014-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 9 Open Access
Notes (up) Fwo Approved Most recent IF: 2.714; 2014 IF: 1.845
Call Number UA @ lucian @ c:irua:113394 Serial 3735
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Author Dendooven, J.; Goris, B.; Devloo-Casier, K.; Levrau, E.; Biermans, E.; Baklanov, M.R.; Ludwig, K.F.; van der Voort, P.; Bals, S.; Detavernier, C.
Title Tuning the pore size of ink-bottle mesopores by atomic layer deposition Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 11 Pages 1992-1994
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000305092600002 Publication Date 2012-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 52 Open Access
Notes (up) Fwo Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number UA @ lucian @ c:irua:99078 Serial 3760
Permanent link to this record
 

 
Author van den Heuvel, W.; Tikhomirov, V.K.; Kirilenko, D.; Schildermans, N.; Chibotaru, L.F.; Vanacken, J.; Gredin, P.; Mortier, M.; Van Tendeloo, G.; Moshchalkov, V.V.
Title Ultralow blocking temperature and breakdown of the giant spin model in Er3+-doped nanoparticles 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 094421-094421,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The magnetization of luminescent Er3+-doped PbF2 nanoparticles (formula Er0.3Pb0.7F2.3) has been studied. Despite the high concentration of the doping Er3+ ions and relatively large size (8 nm) of these nanoparticles we have found no deviation between field-cooled and zero-field-cooled magnetization curves down to T=0.35 K, which points out an ultralow blocking temperature for the reversal of magnetization. We also have found strongly deviating magnetization curves M(H/T) for different temperatures T. These results altogether show that the investigated nanoparticles are not superparamagnetic, but rather each Er3+ ion in these nanoparticles is found in a paramagnetic state down to very low temperatures, which implies the breakdown of the Néel-Brown giant spin model in the case of these nanoparticles. Calculations of magnetization within a paramagnetic model of noninteracting Er3+ ions completely support this conclusion. Due to the ultralow blocking temperature, these nanoparticles have a potential for magnetic field-induced nanoscale refrigeration with an option of their optical localization and temperature control.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281773300005 Publication Date 2010-09-13
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 11 Open Access
Notes (up) Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85423 Serial 3796
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Author Leroux, O.; Leroux, F.; Bagniewska-Zadworna,.; Knox, J.P.; Claeys, M.; Bals, S.; Viane, R.L.L.
Title Ultrastructure and composition of cell wall appositions in the roots of Asplenium (Polypodiales) Type A1 Journal article
Year 2011 Publication Micron Abbreviated Journal Micron
Volume 42 Issue 8 Pages 863-870
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Cell wall appositions (CWAs), formed by the deposition of extra wall material at the contact site with microbial organisms, are an integral part of the response of plants to microbial challenge. Detailed histological studies of CWAs in fern roots do not exist. Using light and electron microscopy we examined the (ultra)structure of CWAs in the outer layers of roots of Asplenium species. All cell walls studded with CWAs were impregnated with yellow-brown pigments. CWAs had different shapes, ranging from warts to elongated branched structures, as observed with scanning and transmission electron microscopy. Ultrastructural study further showed that infecting fungi grow intramurally and that they are immobilized by CWAs when attempting to penetrate intracellularly. Immunolabelling experiments using monoclonal antibodies indicated pectic homogalacturonan, xyloglucan, mannan and cellulose in the CWAs, but tests for lignins and callose were negative. We conclude that these appositions are defense-related structures made of a non-lignified polysaccharide matrix on which phenolic compounds are deposited in order to create a barrier protecting the root against infections.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000294942600013 Publication Date 2011-06-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.98 Times cited 20 Open Access
Notes (up) Fwo Approved Most recent IF: 1.98; 2011 IF: 1.527
Call Number UA @ lucian @ c:irua:92540 Serial 3798
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Author Ramezanipour, F.; Greedan, J.E.; Siewenie, J.; Donaberger, R.L.; Turner, S.; Botton, G.A.
Title A vacancy-disordered, oxygen-deficient perovskite with long-range magnetic ordering : local and average structures and magnetic properties of Sr2Fe1.5Cr0.5O5 Type A1 Journal article
Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 4 Pages 2638-2644
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The local and average crystal structures and magnetic properties of the oxygen-deficient perovskite Sr2Fe1.5Cr0.5O5+y were studied using powder X-ray and neutron diffraction, neutron-pair distribution function analysis, and electron energy-loss spectroscopy. This material crystallizes in the cubic Pm3̅m space group, with a = 3.94491(14) Å. The oxygen vacancies are distributed randomly throughout the perovskite-type structure, and the average coordination number of the Fe(Cr) sites is 5. Refinement of the neutron diffraction data indicates y 0.05. This is in discordance with an earlier report on a material with the same nominal composition and cell constant. Electron energy-loss Cr L2,3-edge spectroscopy shows that Cr3+ is present, which is also contrary to previous speculation. Neutron-pair distribution function studies show that a brownmillerite-like model involving ordered vacancies and alternating octahedral and tetrahedral coordination at the metal sites, gives a better description of the local structure out to 5 Å. A remarkable phenomenon determined by neutron diffraction in Sr2Fe1.5Cr0.5O5 is the occurrence of a long-range G-type antiferromagnetic ordering with Tc ≈ 565 K because cubic oxygen-deficient perovskites with B-site disorder usually do not undergo transitions to magnetically ordered states. The observation of long-range antiferromagnetic order and the Tc value are in accordance with previous Mössbauer spectroscopic studies.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000300466300079 Publication Date 2012-01-30
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 12 Open Access
Notes (up) Fwo Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:95039 Serial 3828
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Author Gonnissen, J.; de Backer, A.; den Dekker, A.J.; Martinez, G.T.; Rosenauer, A.; Sijbers, J.; Van Aert, S.
Title Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 6 Pages 063116
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000341188700073 Publication Date 2014-08-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 12 Open Access
Notes (up) FWO (G.0393.11; G.0064.10; and G.0374.13); European Union Seventh Framework Programme [FP7/2007-2013] under Grant Agreement No. 312483 (ESTEEM2); esteem2_jra2 Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:118333 Serial 2482
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Author Martinez, G.T.; de Backer, A.; Rosenauer, A.; Verbeeck, J.; Van Aert, S.
Title The effect of probe inaccuracies on the quantitative model-based analysis of high angle annular dark field scanning transmission electron microscopy images Type A1 Journal article
Year 2014 Publication Micron Abbreviated Journal Micron
Volume 63 Issue Pages 57-63
Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
Abstract Quantitative structural and chemical information can be obtained from high angle annular dark field scanning transmission electron microscopy (HAADF STEM) images when using statistical parameter estimation theory. In this approach, we assume an empirical parameterized imaging model for which the total scattered intensities of the atomic columns are estimated. These intensities can be related to the material structure or composition. Since the experimental probe profile is assumed to be known in the description of the imaging model, we will explore how the uncertainties in the probe profile affect the estimation of the total scattered intensities. Using multislice image simulations, we analyze this effect for Cs corrected and non-Cs corrected microscopes as a function of inaccuracies in cylindrically symmetric aberrations, such as defocus and spherical aberration of third and fifth order, and non-cylindrically symmetric aberrations, such as 2-fold and 3-fold astigmatism and coma.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000338402500011 Publication Date 2014-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.98 Times cited 25 Open Access
Notes (up) FWO (G.0393.11; G.0064.10; G.0374.13; G.0044.13); European Research Council under the 7th Framework Program (FP7); ERC GrantNo. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. A.R. thanks the DFG under contract number RO2057/8-1.The research leading to these results has received funding fromthe European Union 7th Framework Programme [FP7/2007-2013]under grant agreement no. 312483 (ESTEEM2).; esteem2ta ECASJO; Approved Most recent IF: 1.98; 2014 IF: 1.988
Call Number UA @ lucian @ c:irua:113857UA @ admin @ c:irua:113857 Serial 831
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Author Tran, M.L.; Centeno, S.P.; Hutchison, J.A.; Engelkamp, H.; Liang, D.; Van Tendeloo, G.; Sels, B.F.; Hofkens, J.; Uji-i, H.
Title Control of surface plasmon localization via self-assembly of silver nanoparticles along silver nanowires Type A1 Journal article
Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 130 Issue 51 Pages 17240-17241
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A simple and low-cost method to create metal−metal hybrid nanostructures possessing fairly regularly spaced hot-spots of surface plasmon resonances is proposed. The nanohybrid structure was prepared via self-assembly during a simple drop-casting procedure, using chemically synthesized silver nanowires and silver nanoparticles prepared in a single batch of a polyol process. Wide field illumination of these nanohybrids produced hot-spots with spacings of around 500 nm to 1 ìm. The intensity of the emission/scattering from the hot-spots fluctuates over time. The proposed structure can be useful for the development of molecular-sensors or as a substrate for surface enhanced Raman/fluorescence spectroscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000263320600018 Publication Date 2008-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 51 Open Access
Notes (up) Fwo – G.0366.06; Fwo – Iap-Vi/27 Approved Most recent IF: 13.858; 2008 IF: 8.091
Call Number UA @ lucian @ c:irua:75946 Serial 498
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Author Shanenko, A.A.; Croitoru, M.D.; Mints, R.G.; Peeters, F.M.
Title New Andreev-type states in superconducting nanowires Type A1 Journal article
Year 2007 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 99 Issue Pages 067007,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000248664700056 Publication Date 2007-08-10
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 30 Open Access
Notes (up) Fwo -Vi; Bof-Top; Iap Approved Most recent IF: 8.462; 2007 IF: 6.944
Call Number UA @ lucian @ c:irua:69664 Serial 2304
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Author Janssen, G.; Goovaerts, E.; Bouwen, A.; Partoens, B.; van Daele, B.; Zurauskiene, N.; Koenraad, P.M.; Wolter, J.H.
Title Observation of cyclotron resonance in an InAs/GaAs wetting layer with shallowly formed quantum dots Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 68 Issue Pages 045329,1-6
Keywords A1 Journal article; Nanostructured and organic optical and electronic materials (NANOrOPT); Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000185239600080 Publication Date 2003-08-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes (up) FWO G.0110.96 and G.0409.02; IAP-V Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:43316 Serial 2416
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Author Potapov, P.L.; Verbeeck, J.; Schattschneider, P.; Lichte, H.; van Dyck, D.
Title Inelastic electron holography as a variant of the Feynman thought experiment Type A1 Journal article
Year 2007 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 107 Issue 8 Pages 559-567
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Using a combination of electron holography and energy filtering, interference fringes produced after inelastic interaction of electrons with hydrogen molecules are examined. Surprisingly, the coherence of inelastic scattering increases when moving from the surface of a hydrogen-containing bubble to the vacuum. This phenomenon can be understood in terms of the Feynman two-slit thought experiment with a variable ambiguity of the which-way registration. (C) 2006 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000246937000001 Publication Date 2006-12-16
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 13 Open Access
Notes (up) Fwo G.0147.06 Approved Most recent IF: 2.843; 2007 IF: 1.996
Call Number UA @ lucian @ c:irua:103588UA @ admin @ c:irua:103588 Serial 1605
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Author Verbeeck, J.; Bertoni, G.; Schattschneider, P.
Title The Fresnel effect of a defocused biprism on the fringes in inelastic holography Type A1 Journal article
Year 2008 Publication Ultramicroscopy T2 – 16th International Microscopy Congress, SEP 03-08, 2006, Sapporo, JAPAN Abbreviated Journal Ultramicroscopy
Volume 108 Issue 3 Pages 263-269
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We present energy filtered holography experiments on a thin foil of Al. By propagating the reduced density matrix of the probe electron through the microscope, we quantitatively predict the fringe contrast as a function of energy loss. Fringe contrast simulations include the effect of Fresnel fringes created at the edges of the defocused biprism, the effect of partial coherence in combination with inelastic scattering, and the effect of a finite energy distribution of the incoming beam. (c) 2007 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000253389100011 Publication Date 2007-11-02
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 15 Open Access
Notes (up) Fwo G.0147.06; Esteem 026019 Approved Most recent IF: 2.843; 2008 IF: 2.629
Call Number UA @ lucian @ c:irua:104035 Serial 3582
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Author Batuk, M.; Batuk, D.; Abakumov, A.M.; Hadermann, J.
Title Pb5Fe3TiO11Cl : a rare example of Ti(IV) in a square pyramidal oxygen coordination Type A1 Journal article
Year 2014 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 215 Issue Pages 245-252
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO3n−1Cl. The structure is built of truncated Pb3Fe3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000336891300037 Publication Date 2014-04-12
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 4 Open Access
Notes (up) Fwo G.0184.09n. Approved Most recent IF: 2.299; 2014 IF: 2.133
Call Number UA @ lucian @ c:irua:117066 Serial 3551
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Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors Type A1 Journal article
Year 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 65 Issue 1 Pages 5-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000261799500002 Publication Date 2008-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 51 Open Access
Notes (up) Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
Call Number UA @ lucian @ c:irua:72918 Serial 453
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Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
Title Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite Type A1 Journal article
Year 2009 Publication Carbon Abbreviated Journal Carbon
Volume 47 Issue 10 Pages 2501-2510
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000268429000025 Publication Date 2009-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 12 Open Access
Notes (up) Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 6.337; 2009 IF: 4.504
Call Number UA @ lucian @ c:irua:77973 Serial 638
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