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Author Bertrand, L.; Robinet, L.; Thoury, M.; Janssens, K.; Cohen, S.X.; Schöder, S.
Title Cultural heritage and archaeology materials studied by synchrotron spectroscopy and imaging Type A1 Journal article
Year 2012 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 106 Issue 2 Pages 377-396
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The use of synchrotron radiation techniques to study cultural heritage and archaeological materials has undergone a steep increase over the past 10-15 years. The range of materials studied is very broad and encompasses painting materials, stone, glass, ceramics, metals, cellulosic and wooden materials, and a cluster of organic-based materials, in phase with the diversity observed at archaeological sites, museums, historical buildings, etc. Main areas of investigation are: (1) the study of the alteration and corrosion processes, for which the unique non-destructive speciation capabilities of X-ray absorption have proved very beneficial, (2) the understanding of the technologies and identification of the raw materials used to produce archaeological artefacts and art objects and, to a lesser extent, (3) the investigation of current or novel stabilisation, conservation and restoration practices. In terms of the synchrotron methods used, the main focus so far has been on X-ray techniques, primarily X-ray fluorescence, absorption and diffraction, and Fourier-transform infrared spectroscopy. We review here the use of these techniques from recent works published in the field demonstrating the breadth of applications and future potential offered by third generation synchrotron techniques. New developments in imaging and advanced spectroscopy, included in the UV/visible and IR ranges, could even broaden the variety of materials studied, in particular by fostering more studies on organic and complex organic-inorganic mixtures, while new support activities at synchrotron facilities might facilitate transfer of knowledge between synchrotron specialists and users from archaeology and cultural heritage sciences.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299749000009 Publication Date 2011-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.455 Times cited 55 Open Access
Notes ; The authors acknowledge the critical reading by B. Berrie (National Gallery of Art, Washington DC, USA). We thank J. Mass (Conservation Department, Winterthur Museum and Country Estate, Winterthur, DE, USA), H. Roemich (Institute of Fine Arts, New York University, USA), J. Hiller (Non-Crystalline Diffraction Beamline, Diamond Light Source, Didcot, UK) and J.-P. Echard (Laboratoire de recherche et de restauration, Musee de la musique, Paris, France) for their comments on the presentation of their work in the manuscript. The IPANEMA platform is jointly developed by CNRS, MNHN, the French Ministry of Culture and Communication and SOLEIL, and benefits from a CPER grant (MESR, Region Ile-de-France). Support by the Access to Research Infrastructures activity in the 7th Framework Programme of the EU (CHARISMA Grant Agreement n. 228330) and the NWO Science4Arts programme are acknowledged. ; Approved Most recent IF: 1.455; 2012 IF: 1.545
Call Number UA @ admin @ c:irua:99166 Serial 5561
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Author Berdiyorov, G.R.; de Romaguera, A.R.C.; Milošević, M.V.; Doria, M.M.; Covaci, L.; Peeters, F.M.
Title Dynamic and static phases of vortices under an applied drive in a superconducting stripe with an array of weak links Type A1 Journal article
Year 2012 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 85 Issue 4 Pages 130-130,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Static and dynamic properties of superconducting vortices in a superconducting stripe with a periodic array of weakly-superconducting (or normal metal) regions are studied in the presence of external magnetic and electric fields. The time-dependent Ginzburg-Landau theory is used to describe the electronic transport, where the anisotropy is included through the spatially-dependent critical temperature T-c. Superconducting vortices penetrating into the weak-superconducting region with smaller T-c are more mobile than the ones in the strong superconducting regions. We observe periodic entrance and exit of vortices which reside in the weak link for some short interval. The mobility of the weakly-pinned vortices can be reduced by increasing the uniform applied magnetic field leading to distinct features in the voltage vs. magnetic field response of the system.
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Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000303545400013 Publication Date 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.461 Times cited 32 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral programme between Flanders and Brazil. G.R.B. and L.C. acknowledge individual support from FWO-Vl. A.R.de C.R. acknowledges CNPq and FACEPE for financial support. ; Approved Most recent IF: 1.461; 2012 IF: 1.282
Call Number UA @ lucian @ c:irua:98267 Serial 761
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Author Pilehvar, S.; Dardenne, F.; Blust, R.; De Wael, K.
Title Electrochemical sensing of phenicol antibiotics at gold Type A1 Journal article
Year 2012 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
Volume 7 Issue 6 Pages 5000-5011
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Phenicols are an effective and a broad spectrum class of antibiotics which has lost favour due to their side effects on human health. A rapid and sensitive electrochemical detection system is developed for the simultaneous detection of chloramphenicol (CAP), thiamphenicol (TAP) and florfenicol (FF). The electrochemical behaviour of CAP in the presence of its derivatives was investigated by cyclic voltammetry (CV) and square wave voltammetry (SWV). At a gold electrode, CAP gives rise to a sensitive cathodic peak at −0.68V (versus SCE) in a tris buffer solution (pH 7.6). This behavior gives us the opportunity to introduce a method for sensing CAP electrochemically in the presence of its derivatives. Calibration graphs were linear in the 2.5-7.4 μmol L-1 concentration range. Deviations from linearity were observed for higher concentrations and this was interpreted to be due to kinetic limitation caused by the saturation of CAP and its reduction products onto the gold electrode surface. A limit of detection of 1 μmol L-1 was found.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1452-3981 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.469 Times cited Open Access
Notes ; ; Approved Most recent IF: 1.469; 2012 IF: NA
Call Number UA @ admin @ c:irua:98344 Serial 5595
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Author Pachoud, E.; Bréard, Y.; Martin, C.; Maignan, A.; Abakumov, A.M.; Suard, E.; Smith, R.I.; Suchomel, M.R.
Title Bi0.75Sr0.25FeO3-\delta : revealing order/disorder phenomena by combining diffraction techniques Type A1 Journal article
Year 2012 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 152 Issue 5 Pages 331-336
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The local and long range structure of polycrystalline samples of Bi0.75Sr0.25FeO3-delta has been probed by neutron and synchrotron X-ray diffraction coupled with transmission electron microscopy. It is found that the long range structure on average can be described by the cubic space group Pm-3m (a(p) congruent to 3.951 angstrom). However, the refinements revealed large atomic displacements for the (Bi, Sr) cations and the oxygen atoms from their ideal positions. The electron microscopy study indicates the existence of local phenomena like local ordering of oxygen vacancies, which are segregated at the randomly spaced parallel (FeO2-delta) planes, or the existence of region of different symmetry, probably R3c. At room temperature, the compound exhibits G-type antiferromagnetism (T-N congruent to 650 K) with a magnetic moment of congruent to 3.7 mu(B). (C) 2012 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000301329200001 Publication Date 2011-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.554 Times cited 6 Open Access
Notes Approved Most recent IF: 1.554; 2012 IF: 1.534
Call Number UA @ lucian @ c:irua:97820 Serial 3516
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Author Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Groeseneken, G.; De Meyer, K.
Title Modeling the impact of junction angles in tunnel field-effect transistors Type A1 Journal article
Year 2012 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 69 Issue Pages 31-37
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We develop an analytical model for a tunnel field-effect transistor (TFET) with a tilted source junction angle. The tunnel current is derived by using circular tunnel paths along the electric field. The analytical model predicts that a smaller junction angle improves the TFET performance, which is supported by device simulations. An analysis is also made based on straight tunnel paths and tunnel paths corresponding to the trajectory of a classical particle. In all the aforementioned cases, the same conclusions are obtained. A TFET configuration with an encroaching polygon source junction is studied to analyze the junction angle dependence at the smallest junction angles. The improvement of the subthreshold swing (SS) with decreasing junction angle can be achieved by using thinner effective oxide thickness, smaller band gap material and longer encroaching length of the encroaching junction. A TFET with a smaller junction angle on the source side also has an innate immunity against the degradation of the fringing field from the gate electrode via a high-k spacer. A large junction angle on the drain side can suppress the unwanted ambipolar current of TFETs. (c) 2011 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000301561600009 Publication Date 2012-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.58 Times cited 9 Open Access
Notes ; We acknowledge the input on nanowire processing of Rita Rooyackers and useful discussions with Wim Magnus. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was also supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 1.58; 2012 IF: 1.482
Call Number UA @ lucian @ c:irua:97816 Serial 2145
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Author Pham, A.-T.; Sorée, B.; Magnus, W.; Jungemann, C.; Meinerzhagen, B.; Pourtois, G.
Title Quantum simulations of electrostatics in Si cylindrical junctionless nanowire nFETs and pFETs with a homogeneous channel including strain and arbitrary crystallographic orientations Type A1 Journal article
Year 2012 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 71 Issue Pages 30-36
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Simulation results of electrostatics in Si cylindrical junctionless nanowire transistors with a homogenous channel are presented. Junctionless transistors including strain and arbitrary crystallographic orientations are studied. Size quantization effects are simulated by self-consistent solutions of the Poisson and Schrodinger equations. The 6 x 6 k.p method is employed for the calculation of the valence subband structure in a junctionless nanowire pFET. The influence of stress/strain and crystallographic channel orientation on to the electrostatics in terms of subband structure, charge density, and C-V curve is systematically studied. (C) 2011 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000303033800007 Publication Date 2011-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.58 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 1.58; 2012 IF: 1.482
Call Number UA @ lucian @ c:irua:98245 Serial 2786
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Author Vernimmen, J.; Meynen, V.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.
Title Formation of a Ti-siliceous trimodal material with macroholes, mesopores and zeolitic features via a one-pot templating synthesis Type A1 Journal article
Year 2012 Publication Journal of porous materials Abbreviated Journal J Porous Mat
Volume 19 Issue 2 Pages 153-160
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Based on a facile one-pot templating synthesis, using a TS-1 zeolite recipe whereby part of the zeolite structure directing agent is replaced by a mesopore templating agent, a trimodal material is formed. The resulting meso-TSM material combines mesoporosity (Ti-MCM-41) with zeolitic features (TS-1) and a unique sheet-like morphology with uniform macroporous voids (macroholes). Moreover, the macrohole formation, mesoporosity and zeolitic properties of the meso-TSM material can be controlled in a straightforward way by adjusting the length of the hydrothermal treatment. This newly developed material may imply great potential for catalytic redox applications and diffusion limitated processes because of its highly tunable character in all three dimensions (micro-, meso- and macroporous scale).
Address
Corporate Author Thesis
Publisher Kluwer Academic Place of Publication Boston, Mass. Editor
Language Wos 000301187600002 Publication Date 2011-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1380-2224;1573-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.624 Times cited 2 Open Access
Notes Fwo; Goa Approved Most recent IF: 1.624; 2012 IF: 1.348
Call Number UA @ lucian @ c:irua:88367 Serial 1257
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Author Michel, K.H.; Verberck, B.
Title Rigid-plane phonons in layered crystals Type A1 Journal article
Year 2012 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 249 Issue 12 Pages 2604-2607
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The determination of the layer number ${\cal N}$ in nanoscale thin layered crystals is a challenging problem of technological relevance. In addition to innovative experimental techniques, a thorough knowledge of the underlying lattice dynamics is required. Starting from phenomenological atomic interaction potentials we have carried out an analytical study of the low-frequency optical phonon dispersions in layered crystals. At the gamma point of the two-dimensional Brillouin zone the optical phonon frequencies correspond to rigid-plane shearing and compression modes. We have investigated graphene multilayers (GML) and hexagonal boron-nitride multilayers (BNML). The frequencies show a characteristic dependence on ${\cal N}$. The results which are represented in the form of fan diagrams are very similar for both materials. Due to charge neutrality within layers Coulomb forces play no role, only van der Waals forces between nearest neighbor layers are relevant. The theoretical results agree with recent low-frequency Raman results on rigid-layer modes [Tan et al., Nature Mater. 11, 294 (2012)] in GML and double-resonant Raman scattering data on rigid-layer compression modes [Herziger et al., Phys. Rev. B 85, 235447 (2012)] in GML. (C) 2012 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000312215300072 Publication Date 2012-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.674 Times cited 1 Open Access
Notes ; This work has been supported by the Flemish Science Foundation (FWO-Vl) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 1.674; 2012 IF: 1.489
Call Number UA @ lucian @ c:irua:105992 Serial 2907
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Author Vinchurkar, S.; De Backer, L.; Vos, W.; Van Holsbeke, C.; de Backer, J.; de Backer, W.
Title A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data Type A1 Journal article
Year 2012 Publication Inhalation Toxicology Abbreviated Journal Inhal Toxicol
Volume 24 Issue 2 Pages 81-88
Keywords A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000299744800001 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0895-8378;1091-7691; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.751 Times cited 36 Open Access
Notes ; ; Approved Most recent IF: 1.751; 2012 IF: 1.894
Call Number UA @ lucian @ c:irua:96238 Serial 286
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Author Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A.
Title C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine Type A1 Journal article
Year 2012 Publication Journal Of Molecular Structure Abbreviated Journal J Mol Struct
Volume 1023 Issue Pages 90-95
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308971900017 Publication Date 2012-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2860; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.753 Times cited 21 Open Access
Notes Approved Most recent IF: 1.753; 2012 IF: 1.404
Call Number UA @ lucian @ c:irua:100917 Serial 3519
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Author Compernolle, T.; Van Passel, S.; Weyens, N.; Vangronsveld, J.; Lebbe, L.; Thewys, T.
Title Groundwater remediation and the cost effectiveness of phytoremediation Type A1 Journal article
Year 2012 Publication International Journal Of Phytoremediation Abbreviated Journal Int J Phytoremediat
Volume 14 Issue 9 Pages 861-877
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract In 1999, phytoremediation was applied at the site of a Belgian car factory to contain two BTEX plumes. This case study evaluates the cost effectiveness of phytoremediation compared to other remediation options, applying a tailored approach for economic evaluation. Generally, when phytoremediation is addressed as being cost effective, the cost effectiveness is only determined on an average basis. This study however, demonstrates that an incremental analysis may provide a more nuanced conclusion. When the cost effectiveness is calculated on an average basis, in this particular case, the no containment strategy (natural attenuation) has the lowest cost per unit mass removed and hence, should be preferred. However, when the cost effectiveness is determined incrementally, no containment should only be preferred if the value of removing an extra gram of contaminant mass is lower than 320. Otherwise, a permeable reactive barrier should be adopted. A similar analysis is provided for the effect determined on the basis of remediation time. Phytoremediation is preferred compared to no containment if reaching the objective one year earlier is worth 7 000.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304914700004 Publication Date 2012-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1522-6514 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.77 Times cited 12 Open Access
Notes ; ; Approved Most recent IF: 1.77; 2012 IF: 1.179
Call Number UA @ admin @ c:irua:129862 Serial 6206
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Author Sels, D.; Brosens, F.; Magnus, W.
Title On the path integral representation of the Wigner function and the BarkerMurray ansatz Type A1 Journal article
Year 2012 Publication Physics letters : A Abbreviated Journal Phys Lett A
Volume 376 Issue 6/7 Pages 809-812
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000301167300005 Publication Date 2012-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.772 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 1.772; 2012 IF: 1.766
Call Number UA @ lucian @ c:irua:94006 Serial 2445
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Author Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P.
Title Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study Type A1 Journal article
Year 2012 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 209 Issue 9 Pages 1675-1682
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000308942100009 Publication Date 2012-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6300; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.775 Times cited 31 Open Access
Notes M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). Approved Most recent IF: 1.775; 2012 IF: 1.469
Call Number UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 Serial 1364
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Author Jalabert, D.; Pelloux-Gervais, D.; Béché, A.; Hartmann, J.M.; Gergaud, P.; Rouvière, J.L.; Canut, B.
Title Depth strain profile with sub-nm resolution in a thin silicon film using medium energy ion scattering Type A1 Journal article
Year 2012 Publication Physica Status Solidi A-Applications And Materials Science Abbreviated Journal Phys Status Solidi A
Volume 209 Issue 2 Pages 265-267
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The depth strain profile in silicon from the Si (001) substrate to the surface of a 2 nm thick Si/12 nm thick SiGe/bulk Si heterostructure has been determined by medium energy ion scattering (MEIS). It shows with sub-nanometer resolution and high strain sensitivity that the thin Si cap presents residual compressive strain caused by Ge diffusion coming from the fully strained SiGe layer underneath. The strain state of the SiGe buffer have been checked by X-ray diffraction (XRD) and nano-beam electron diffraction (NBED) measurements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303382700005 Publication Date 2011-11-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6300; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.775 Times cited 3 Open Access
Notes Approved Most recent IF: 1.775; 2012 IF: 1.469
Call Number UA @ lucian @ c:irua:136430 Serial 4497
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Author Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Ghijsen, J.; Ewels, C.P.
Title Study of the interaction between copper and carbon nanotubes Type A1 Journal article
Year 2012 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 535 Issue Pages 80-83
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Copper deposited by thermal evaporation onto pristine and oxygen plasma treated carbon nanotubes (CNTs) diffuse over the CNT surface, coalescing and forming crystalline islands. The nucleation sites of the islands are preferentially defects, and more homogeneous island dispersion was observed at the CNT oxygen functionalized surface. The presence of weakly bound oxygen atoms at the CNT surface induces the formation of CuO bonds at the Cu/CNT interface, as described through density functional calculations. Exposure to air allows further oxidation to facetted crystalline Cu2O. Oxygen plasma pre-treatment represents a promising route for homogenous disperse Cu2O nanoparticle decoration of CNTs.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000303437900015 Publication Date 2012-03-21
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 (up) 1.815 Times cited 27 Open Access
Notes Approved Most recent IF: 1.815; 2012 IF: 2.145
Call Number UA @ lucian @ c:irua:97704 Serial 3336
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Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number UA @ lucian @ c:irua:101139 Serial 2935
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Author van den Broek, W.; Van Aert, S.; van Dyck, D.
Title Fully automated measurement of the modulation transfer function of charge-coupled devices above the Nyquist frequency Type A1 Journal article
Year 2012 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 18 Issue 2 Pages 336-342
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract The charge-coupled devices used in electron microscopy are coated with a scintillating crystal that gives rise to a severe modulation transfer function (MTF). Exact knowledge of the MTF is imperative for a good correspondence between image simulation and experiment. We present a practical method to measure the MTF above the Nyquist frequency from the beam blocker's shadow image. The image processing has been fully automated and the program is made public. The method is successfully tested on three cameras with various beam blocker shapes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge, Mass. Editor
Language Wos 000302084700011 Publication Date 2012-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 1.891 Times cited 15 Open Access
Notes Fwo Approved Most recent IF: 1.891; 2012 IF: 2.495
Call Number UA @ lucian @ c:irua:96557 Serial 1297
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Author Xu, Q.; Zandbergen, H.W.; van Dyck, D.
Title Imaging from atomic structure to electronic structure Type A1 Journal article
Year 2012 Publication Micron Abbreviated Journal Micron
Volume 43 Issue 4 Pages 524-531
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract This paper discusses the possibility of retrieving the electron distribution (with highlighted valence electron distribution information) of materials from recorded HREM images. This process can be achieved by solving two inverse problems: reconstruction of the exit wave and reconstruction of the electron distribution from exit waves. The first inverse problem can be solved using a focal series reconstruction method. We show that the second inverse problem can be solved by combining a series of exit waves recorded at different thickness conditions. This process is designed based on an improved understanding of the dynamical scattering process. It also explains the fundamental difficulty of obtaining the valence electron distribution information and the basis of our solution.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000301702400005 Publication Date 2011-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record
Impact Factor (up) 1.98 Times cited Open Access
Notes Fwo Approved Most recent IF: 1.98; 2012 IF: 1.876
Call Number UA @ lucian @ c:irua:93634 Serial 1553
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Author Van Aert, S.; van den Broek, W.; Goos, P.; van Dyck, D.
Title Model-based electron microscopy : from images toward precise numbers for unknown structure parameters Type A1 Journal article
Year 2012 Publication Micron Abbreviated Journal Micron
Volume 43 Issue 4 Pages 509-515
Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab
Abstract Statistical parameter estimation theory is proposed as a method to quantify electron microscopy images. It aims at obtaining precise and accurate values for the unknown structure parameters including, for example, atomic column positions and types. In this theory, observations are purely considered as data planes, from which structure parameters have to be determined using a parametric model describing the images. The method enables us to measure positions of atomic columns with a precision of the order of a few picometers even though the resolution of the electron microscope is one or two orders of magnitude larger. Moreover, small differences in averaged atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark field scanning transmission electron microscopy images. Finally, it is shown how to optimize the experimental design so as to attain the highest precision. As an example, the optimization of the probe size for nanoparticle radius measurements is considered. It is also shown how to quantitatively balance signal-to-noise ratio and resolution by adjusting the probe size.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000301702400003 Publication Date 2011-11-03
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 (up) 1.98 Times cited 7 Open Access
Notes Fwo Approved Most recent IF: 1.98; 2012 IF: 1.876
Call Number UA @ lucian @ c:irua:94114 Serial 2099
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Author Salman, O.U.; Finel, A.; Delville, R.; Schryvers, D.
Title The role of phase compatibility in martensite Type A1 Journal article
Year 2012 Publication Journal of applied physics T2 – 22nd International Symposium on Integrated Functionalities (ISIF), JUN 13-16, 2010, San Juan, PR Abbreviated Journal J Appl Phys
Volume 111 Issue 10 Pages 103517
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of martensite can have a compatible (exact) interface with the austenite for some special lattice parameters in contrast to conventional austenite/twinned martensite interface with a transition layer. Experimentally, the phase compatibility results in a dramatic drop in thermal hysteresis and gives rise to very stable functional properties over cycling. Here, we investigate the microstructures observed in Ti50Ni50-xPdx alloys that undergo a cubic to orthorhombic martensitic transformation using a three-dimensional phase field approach. We will show that the simulation results are in very good agreement with transmission electron microscopy observations. However, the understanding of the drop in thermal hysteresis requires the coupling of phase transformation with plastic activity. We will discuss this point within the framework of thermoelasticity, which is a generic feature of the martensitic transformation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4712629]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000305363700053 Publication Date 2012-05-21
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 (up) 2.068 Times cited 11 Open Access
Notes Approved Most recent IF: 2.068; 2012 IF: 2.210
Call Number UA @ lucian @ c:irua:100310 Serial 2919
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Author Wendelen, W.; Mueller, B.Y.; Autrique, D.; Rethfeld, B.; Bogaerts, A.
Title Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions Type A1 Journal article
Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 111 Issue 11 Pages 113110
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two-and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729071]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000305401400043 Publication Date 2012-06-14
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 (up) 2.068 Times cited 30 Open Access
Notes Approved Most recent IF: 2.068; 2012 IF: 2.210
Call Number UA @ lucian @ c:irua:100300 Serial 3057
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Author de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A.
Title Time-dependent investigation of charge injection in a quantum dot containing one electron Type A1 Journal article
Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 112 Issue 9 Pages 093705-93709
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The interaction of an injected electron towards a quantum dot (QD) containing a single confined electron is investigated using a flexible time-dependent quantum mechanics formalism, which allows both electrons to move and undergo quantum transitions. Different scenarios combining quantum dot dimensions, dielectric constant, injected wave packet energy, and width were explored, and our main results are: (i) due to the large characteristic transitions times between the confined state in the quantum dot and the delocalized state in the continuum, it is relatively difficult to ionize the occupied QD by Coulomb interaction solely and (ii) the charging state of the quantum dot can be sensed by direct injection of charges. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4759292]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000311968400052 Publication Date 2012-11-06
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 (up) 2.068 Times cited 1 Open Access
Notes ; This work was financially supported by the Brazilian National Research Council (CNPq), under Contract No. NanoBioEstruturas 555183/2005-0, Fundao Cearense de Apoio ao Desenvolvimento Cientfico e Tecnolgico (Funcap), CAPES, Pronex/CNPq/ Funcap, the Bilateral program between Flanders and Brazil, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 2.068; 2012 IF: 2.210
Call Number UA @ lucian @ c:irua:106014 Serial 3664
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Author Navío, C.; Vallejos, S.; Stoycheva, T.; Llobet, E.; Correig, X.; Snyders, R.; Blackman, C.; Umek, P.; Ke, X.; Van Tendeloo, G.; Bittencourt, C.;
Title Gold clusters on WO3 nanoneedles grown via AACVD : XPS and TEM studies Type A1 Journal article
Year 2012 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys
Volume 134 Issue 2/3 Pages 809-813
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have prepared tungsten oxide films decorated with gold particles on Si substrates by aerosol assisted chemical vapor deposition (AACVD) and characterized them using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). SEM shows that the films are composed of needle-like structures and TEM shows that both the needles and the gold particles are crystalline. XPS indicates the presence of oxygen vacancies, i.e. the films are WO3−x, and hence the deposited material is composed of semiconducting nanostructures and that the interaction between the gold particles and the WO3 needles surface is weak. The synthesis of semiconducting tungsten oxide nanostructures decorated with metal particles represents an important step towards the development of sensing devices with optimal properties.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000305918200038 Publication Date 2012-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0254-0584; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.084 Times cited 52 Open Access
Notes Iap Approved Most recent IF: 2.084; 2012 IF: 2.072
Call Number UA @ lucian @ c:irua:97705 Serial 1356
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Author Vandebroek, M.; Belis, J.; Louter, C.; Van Tendeloo, G.
Title Experimental validation of edge strength model for glass with polished and cut edge finishing Type A1 Journal article
Year 2012 Publication Engineering fracture mechanics Abbreviated Journal Eng Fract Mech
Volume 96 Issue Pages 480-489
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In literature, the experimental validation of a glass edge strength model is lacking. Therefore, in this study, an edge strength model was established and validated. The short-term parameters of the edge strength model, i.e. the flaw geometry and depth, were determined by means of testing at a high stress rate. This was done for polished and cut edges. Next, the strength model, including subcritical crack growth, was established. Finally, the edge strength model was validated by the test results at a low stress rate. The assessed model was found to be slightly conservative, compared to the test results.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000313384300034 Publication Date 2012-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-7944; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.151 Times cited 15 Open Access
Notes Approved Most recent IF: 2.151; 2012 IF: 1.413
Call Number UA @ lucian @ c:irua:105285 Serial 1145
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Author Kuznetsov, A.S.; Cuong, N.T.; Tikhomirov, V.K.; Jivanescu, M.; Stesmans, A.; Chibotaru, L.F.; Velázquez, J.J.; Rodríguez, V.D.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V.
Title Effect of heat-treatment on luminescence and structure of Ag nanoclusters doped oxyfluoride glasses and implication for fiber drawing Type A1 Journal article
Year 2012 Publication Optical materials Abbreviated Journal Opt Mater
Volume 34 Issue 4 Pages 616-621
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The effect of heat treatment on the structure and luminescence of Ag nanoclusters doped oxyfluoride glasses was studied and the implication for drawing the corresponding fibers doped with luminescent Ag nanoclusters has been proposed. The heat treatment results, first, in condensation of the Ag nanoclusters into larger Ag nanoparticles and loss of Ag luminescence, and further heat treatment results in precipitation of a luminescent-loss nano- and microcrystalline Ag phases onto the surface of the glass. Thus, the oxyfluoride fiber doped with luminescent Ag nanoclusters was pulled from the viscous glass melt and its attenuation loss was 0.19 dB/cm in the red part of the spectrum; i.e. near to the maximum of Ag nanoclusters luminescence band. The nucleation centers for the Ag nanoclusters in oxyfluoride glasses have been suggested to be the fluorine vacancies and their nanoclusters.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000300124500006 Publication Date 2011-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.238 Times cited 25 Open Access
Notes Methusalem Approved Most recent IF: 2.238; 2012 IF: 1.918
Call Number UA @ lucian @ c:irua:93632 Serial 811
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Author Sels, D.; Brosens, F.; Magnus, W.
Title Classical trajectories : a powerful tool for solving tunneling problems Type A1 Journal article
Year 2012 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A
Volume 391 Issue 1/2 Pages 78-81
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract In the realm of Ehrenfests theorem, classical trajectories obeying Newtons laws have been proven useful to construct explicit solutions to the time-dependent WignerLiouville equation. Whereas previous works have particularly focused on the initial distribution function as a vehicle found to carry the signatures of quantum statistics into the time-dependent solution, the present paper shows that the LagrangeCharpit method based on classical trajectories can be successfully invoked as well to tackle quantum mechanical features with no classical counterpart, such as tunneling.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000297230700010 Publication Date 2011-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.243 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 2.243; 2012 IF: 1.676
Call Number UA @ lucian @ c:irua:92359 Serial 370
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Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W.
Title Stability and structures of the CFCC-TmC phases : a first-principles study Type A1 Journal article
Year 2012 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 51 Issue 1 Pages 146-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296214300020 Publication Date 2011-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.292 Times cited 18 Open Access
Notes Approved Most recent IF: 2.292; 2012 IF: 1.878
Call Number UA @ lucian @ c:irua:93277 Serial 3119
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Author Maignan, A.; Martin, C.; Singh, K.; Simon, C.; Lebedev, O.I.; Turner, S.
Title From spin induced ferroelectricity to dipolar glasses : spinel chromites and mixed delafossites Type A1 Journal article
Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 195 Issue Pages 41-49
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Magnetoelectric multiferroics showing coupling between polarization and magnetic order are attracting much attention. For instance, they could be used in memory devices. Metal-transition oxides are provided several examples of inorganic magnetoelectric multiferroics. In the present short review, spinel and delafossite chromites are described. For the former, an electric polarization is evidenced in the ferrimagnetic state for ACr2O4 polycrystalline samples (A=Ni, Fe, Co). The presence of a JahnTeller cation such as Ni2+ at the A site is shown to yield larger polarization values. In the delafossites, substitution by V3+ at the Cr or Fe site in CuCrO2 (CuFeO2) suppresses the complex antiferromagnetic structure at the benefit of a spin glass state. The presence of cation disorder, probed by transmission electron microscopy, favors relaxor-like ferroelectricity. The results on the ferroelectricity of ferrimagnets and insulating spin glasses demonstrate that, in this research field, transition-metal oxides are worth to be studied.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000309783600006 Publication Date 2012-02-09
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 (up) 2.299 Times cited 27 Open Access
Notes Fwo Approved Most recent IF: 2.299; 2012 IF: 2.040
Call Number UA @ lucian @ c:irua:101219 Serial 1286
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Author Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Herber, R.H.; Nowik, I.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Greenblatt, M.;
Title High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0) Type A1 Journal article
Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 194 Issue Pages 48-58
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A series of perovskites Sr4−xLaxFe3ReO12 (x=0.0, 1.0, 2.0) has been prepared by wet chemistry methods. The structure analyses by powder X-ray and neutron diffraction and electron microscopy show that these compounds adopt simple perovskite structures without cation ordering over the B sites: tetragonal (I4/mcm) for x=0.0 and 1.0 and orthorhombic (Pbmn) for x=2.0. The oxidation states of the cations in the compound with x=0.0 appear to be Fe3+/4+ and Re7+ and decrease for both with La substitution as evidenced by X-ray absorption spectroscopy. All the compounds are antiferromagnetically ordered above room temperature, as demonstrated by Mössbauer spectroscopy and the magnetic structures, which were determined by powder neutron diffraction. The substitution of Sr by La strongly affects the magnetic properties with an increase of TN up to ∼750 K.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000308896400009 Publication Date 2012-07-02
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 (up) 2.299 Times cited 9 Open Access
Notes Approved Most recent IF: 2.299; 2012 IF: 2.040
Call Number UA @ lucian @ c:irua:101220 Serial 1435
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Author Frolov, D.D.; Kotovshchikov, Y.N.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Marikutsa, A.V.; Rumyantseva, M.N.; Gaskov, A.M.; Sadovskaya, E.M.; Abakumov, A.M.
Title Oxygen exchange on nanocrystalline tin dioxide modified by palladium Type A1 Journal article
Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 186 Issue Pages 1-8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000299801400001 Publication Date 2011-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (up) 2.299 Times cited 34 Open Access
Notes Approved Most recent IF: 2.299; 2012 IF: 2.040
Call Number UA @ lucian @ c:irua:96202 Serial 2546
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