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Author Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
  Title Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 Type A1 Journal article
  Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 49 Issue 4 Pages 1295-1297
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000274240700009 Publication Date (down) 2010-01-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 9 Open Access
  Notes Iap Iv Approved Most recent IF: 4.857; 2010 IF: 4.326
  Call Number UA @ lucian @ c:irua:80990 Serial 2507
Permanent link to this record
 

 
Author Cotte, M.; Susini, J.; Dik, J.; Janssens, K.
  Title Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward Type A1 Journal article
  Year 2010 Publication Accounts of chemical research Abbreviated Journal Accounts Chem Res
  Volume 43 Issue 6 Pages 705-714
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000278842500003 Publication Date (down) 2010-01-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0001-4842 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 20.268 Times cited 74 Open Access
  Notes ; ; Approved Most recent IF: 20.268; 2010 IF: 21.852
  Call Number UA @ admin @ c:irua:83982 Serial 5861
Permanent link to this record
 

 
Author Georgieva, V.; Todorov, I.T.; Bogaerts, A.
  Title Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential Type A1 Journal article
  Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 485 Issue 4/6 Pages 315-319
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000273782600010 Publication Date (down) 2010-01-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.815 Times cited 16 Open Access
  Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
  Call Number UA @ lucian @ c:irua:80023 Serial 2170
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Author Morozov, V.A.; Arakcheeva, A.V.; Konovalova, V.V.; Pattison, P.; Chapuis, G.; Lebedev, O.I.; Fomichev, V.V.; Van Tendeloo, G.
  Title LiZnNb4O11.5 : a novel oxygen deficient compound in the Nb-rich part of the Li2O-ZnO-Nb2O5 system Type A1 Journal article
  Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 183 Issue 2 Pages 408-418
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A novel lithium zinc niobium oxide LiZnNb(4)O(11.5) (LZNO) has been found in the Nb-rich part of Li(2)O-ZnO-Nb(2)O(5) system. LZNO, with an original alpha-PbO(2) related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffraction and transmission electron microscopy (TEM). Reflections belonging to the LZNO phase, observed in X-ray powder diffraction (XRPD) and electron diffraction, have been indexed as monoclinic with unit cell parameters a=17.8358(9)angstrom, b=15.2924(7)angstrom, c=5.0363(3)angstrom and gamma=96.607(5)degrees or as alpha-PbO(2)-like with lattice constants a=4.72420(3)angstrom, b=5.72780(3)angstrom, c=5.03320(3)angstrom, gamma=90.048(16)degrees and modulation vector q=0.3a*+1.1b* indicating a commensurately modulated alpha-PbO(2) related structure. The monoclinic cell is a supercell related to the latter. Using synchrotron powder diffraction data, the structure has been solved and refined as a commensurate modulation (superspace group P112(1)/n(alpha beta 0)00) as well as a supercell (space group P2(1)/b). The superspace description allows us to consider the LZNO structure as a member of the proposed alpha-PbO(2)-Z (3 + 1)D structure type, which unifies both incommensurately and commensurately modulated structures. HRTEM reveals several types of defects in LZNO and structural models for these defects are proposed. Two new phases in Li(2)O-ZnO-Nb(2)O(5) system are predicted on the basis of this detailed HRTEM analysis. (C) 2009 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000274497600020 Publication Date (down) 2009-12-17
  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 9 Open Access
  Notes Iap-Vi Approved Most recent IF: 2.299; 2010 IF: 2.261
  Call Number UA @ lucian @ c:irua:95646 Serial 3542
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Author de Clippel, F.; Harkiolakis, A.; Ke, X.; Vosch, T.; Van Tendeloo, G.; Baron, G.V.; Jacobs, P.A.; Denayer, J.F.M.; Sels, B.F.
  Title Molecular sieve properties of mesoporous silica with intraporous nanocarbon Type A1 Journal article
  Year 2010 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 46 Issue 6 Pages 928-930
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Biporous carbonsilica materials (CSM) with molecular sieve properties and high sorption capacity were developed by synthesizing nano-sized carbon crystallites in the mesopores of Al-MCM-41.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000274070800024 Publication Date (down) 2009-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 21 Open Access
  Notes Fwo; Iap Approved Most recent IF: 6.319; 2010 IF: 5.787
  Call Number UA @ lucian @ c:irua:80994 Serial 2182
Permanent link to this record
 

 
Author Matthai, C.C.; March, N.H.; Lamoen, D.
  Title Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge Type A1 Journal article
  Year 2009 Publication Physics and chemistry of liquids Abbreviated Journal Phys Chem Liq
  Volume 47 Issue 6 Pages 607-613
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000273047400003 Publication Date (down) 2009-11-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 1 Open Access
  Notes BoF Approved Most recent IF: 1.145; 2009 IF: 0.580
  Call Number UA @ lucian @ c:irua:80653 Serial 3376
Permanent link to this record
 

 
Author Mao, D.; Lookman, R.; van de Weghe, H.; Weltens, R.; Vanermen, G.; Brucker, N.; Diels, L.
  Title Estimation of ecotoxicity of petroleum hydrocarbon mixtures in soil based on HPLC-GCXGC analysis Type A1 Journal article
  Year 2009 Publication Chemosphere Abbreviated Journal
  Volume 77 Issue 11 Pages 1508-1513
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Detailed HPLCGCXGC/FID (high performance liquid chromatography followed by comprehensive two-dimensional gas chromatography with flame-ionization detection) analysis of oil-contaminated soils was performed to interpret results of selected acute ecotoxicity assays. For the five ecotoxicity assays tested, plant seed germination and Microtox® were selected as most sensitive for evaluating ecotoxicity of the oil in the soil phase and in the leaching water, respectively. The measured toxicity for cress when testing the soil samples did not correspond to TPH concentration in the soil. A detailed chemical composition analysis of the oil contamination using HPLCGCXGC/FID allows to better predict the ecotoxicological risk and leaching potential of petroleum hydrocarbons in soil. Cress biomass production per plant was well correlated to the total aromatic hydrocarbon concentration (R2 = 0.79, n = 6), while cress seed germination was correlated (R2 = 0.82, n = 6) with total concentration of highly water-soluble aromatic hydrocarbons (HSaromatics). The observed ecotoxicity of the leaching water for Microtox-bacteria related well to calculated (based on the HPLCGCXGC/FID results) petroleum hydrocarbon equilibrium concentrations in water.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000272598700008 Publication Date (down) 2009-10-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0045-6535; 1879-1298 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:80310 Serial 7935
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Author Armelao, L.; Barreca, D.; Bottaro, G.; Gasparotto, A.; Maccato, C.; Tondello, E.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.; Štangar, U.L.
  Title Rational design of Ag/TiO2 nanosystems by a combined RF-sputtering/sol-gel approach Type A1 Journal article
  Year 2009 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 10 Issue 18 Pages 3249-3259
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The present work is devoted to the preparation of Ag/TiO2 nanosystems by an original synthetic strategy, based on the radio-frequency (RF) sputtering of silver particles on titania-based xerogels prepared by the sol-gel (SG) route. This approach takes advantage of the synergy between the microporous xerogel structure and the infiltration power characterizing RF-sputtering, whose combination enables the obtainment of a tailored dispersion of Ag-containing particles into the titania matrix. In addition, the systems chemico-physical features can be tuned further through proper ex situ thermal treatments in air at 400 and 600 °C. The synthesized composites are extensively characterized by the joint use of complementary techniques, that is, X-ray photoelectron and X-ray excited Auger electron spectroscopies (XPS, XE-AES), secondary ion mass spectrometry (SIMS), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), electron diffraction (ED), high-angle annular dark field scanning TEM (HAADF-STEM), energy-filtered TEM (EF-TEM) and optical absorption spectroscopy. Finally, the photocatalytic performances of selected samples in the decomposition of the azo-dye Plasmocorinth B are preliminarily investigated. The obtained results highlight the possibility of tailoring the system characteristics over a broad range, directly influencing their eventual functional properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000273410600015 Publication Date (down) 2009-10-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited 56 Open Access
  Notes Esteem 026019 Approved Most recent IF: 3.075; 2009 IF: 3.453
  Call Number UA @ lucian @ c:irua:80561 Serial 2811
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Author Parsons, T.G.; d' Hondt, H.; Hadermann, J.; Hayward, M.A.
  Title Synthesis and structural characterization of La1-xAxMnO2.5 (A = Ba, Sr, Ca) phases: mapping the variants of the brownmillerite structure Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 22 Pages 5527-5538
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Analysis of the structural parameters of phases that adopt brownmillerite-type structures suggests the distribution of the different complex ordering schemes adopted within this structure type can be rationalized by considering both the size of the separation between the tetrahedral layers and the tetrahedral chain distortion angle. A systematic study using structural data obtained from La1−xAxMnO2,5 (A = Ba, Sr, Ca,) phases, prepared by the topotactic reduction of the analogous La1−xAxMnO3 perovskite phases, was performed to investigate this relationship. By manipulating the A-cation composition, both the tetrahedral layer separation and tetrahedral chain distortion angle in the La1−xAxMnO2,5 phases were controlled and from the data obtained a ¡°structure map¡± of the different brownmillerite variants was plotted as a function of these structural parameters. This map has been extended to include a wide range of reported brownmillerite phases showing the structural ideas presented are widely applicable. The complete structural characterization of La1−xAxMnO2,5 0.1 ¡Ü x ¡Ü 0.33, A = Ba; 0.15 ¡Ü x ¡Ü 0.5 A = Sr, and 0.22 ¡Ü x ¡Ü 0.5 A = Ca is described and includes compositions which exhibit complex intralayer ordered structures and Mn2+/Mn3+ charge ordering.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000271756400021 Publication Date (down) 2009-10-29
  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 60 Open Access
  Notes Iap Vi Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:79935 Serial 3435
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Author Martens, T.; Mihailova, D.; van Dijk, J.; Bogaerts, A.
  Title Theoretical characterization of an atmospheric pressure glow discharge used for analytical spectrometry Type A1 Journal article
  Year 2009 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 81 Issue 21 Pages 9096-9108
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We have investigated the plasma processes in an atmospheric pressure glow discharge (APGD) in He used for analytical spectrometry by means of fluid and Monte Carlo (MC) simulations. Typical results include the potential and electric field distributions in the plasma, the density profiles of the various plasma species throughout the discharge, the mean electron energy, as well as the rates of the various collision processes in the plasma, and the relative importance of the different production and loss rates for the various species. The similarities and differences with low-pressure glow discharges are discussed. The main differences are a very small cathode dark space region and a large positive column as well as the dominant role of molecular ions. Some characteristic features of the APGD, such as the occurrence of the different spatial zones in the discharge, are illustrated, with links to experimental observations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000276191900062 Publication Date (down) 2009-10-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 15 Open Access
  Notes Approved Most recent IF: 6.32; 2009 IF: 5.214
  Call Number UA @ lucian @ c:irua:79554 Serial 3604
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Author Colomer, J.-F.; Marega, R.; Traboulsi, H.; Meneghetti, M.; Van Tendeloo, G.; Bonifazi, D.
  Title Microwave-assisted bromination of double-walled carbon nanotubes Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 20 Pages 4747-4749
  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 000270807800001 Publication Date (down) 2009-09-28
  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 46 Open Access
  Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:94504 Serial 2080
Permanent link to this record
 

 
Author Bugani, S.; Modugno, F.; Lucejko, J.J.; Giachi, G.; Cagno, S.; Cloetens, P.; Janssens, K.; Morselli, L.
  Title Study on the impregnation of archaeological waterlogged wood with consolidation treatments using synchrotron radiation microtomography Type A1 Journal article
  Year 2009 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
  Volume 395 Issue 7 Pages 1977-1985
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract In favourable conditions of low temperature and low oxygen concentration, archaeological waterlogged wooden artefacts, such as shipwrecks, can survive with a good state of preservation. Nevertheless, anaerobic bacteria can considerably degrade waterlogged wooden objects with a significant loss in polysaccharidic components. Due to these decay processes, wood porosity and water content increase under ageing. In such conditions, the conservation treatments of archaeological wooden artefacts often involve the replacement of water with substances which fill the cavities and help to prevent collapse and stress during drying. The treatments are very often expensive and technically difficult, and their effectiveness very much depends on the chemical and physical characteristics of the substances used for impregnation. Also important are the degree of cavity-filling, penetration depth and distribution in the structure of the wood. In this study, the distribution in wood cavities of some mixtures based on polyethylene glycols and colophony, used for the conservation of waterlogged archaeological wood, was investigated using synchrotron radiation X-ray computed microtomography (SR-A mu CT). This non-destructive imaging technique was useful for the study of the degraded waterlogged wood and enabled us to visualise the morphology of the wood and the distribution of the materials used in the wood treatments. The study has shown how deposition is strictly related to the dimension of the wooden cavities. The work is currently proceeding with the comparison of synchrotron observations with the data of the solutions viscosity and with those of the properties imparted to the wood by the treatments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000272017000005 Publication Date (down) 2009-09-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.431 Times cited 30 Open Access
  Notes Approved Most recent IF: 3.431; 2009 IF: 3.480
  Call Number UA @ admin @ c:irua:94493 Serial 5853
Permanent link to this record
 

 
Author Worobiec, A.; Potgieter-Vermaak, S.; Brooker, A.; Darchuk, L.; Stefaniak, E.; Van Grieken, R.
  Title Interfaced SEM/EDX and micro-Raman spectrometry for characterisation of heterogeneous environmental particles: fundamental and practical challenges Type A1 Journal article
  Year 2010 Publication Microchemical journal Abbreviated Journal
  Volume 94 Issue 1 Pages 65-72
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
  Abstract The molecular character of atmospheric particulate matter is of prime importance when interpreting air pollution trends and its subsequent influence on environmental monitoring and preventative conservation. The known methods of estimating the molecular composition normally involve elemental analysis of particles (both as bulk and computer controlled analyses of single particles) with subsequent multivariate analyses to clusterise the elements in groups of elements that are closely related to each other. With this approach one can at best suggest associations. Evidently the application of molecular spectroscopy in addition to elemental concentration profiles would provide intimate information regarding the nature of the particles and consequently their fate. This paper gives an overview of research performed in our laboratory and describes the optimisation of experimental parameters to use scanning electron microscopy with energy-dispersive X-ray detection (SEM/EDX) or electron probe X-ray microanalysis (EPXMA) in parallel with micro-Raman Spectrometry (MRS) to investigate single environmental particles. The challenges associated with the two stand-alone techniques are revealed and consequently those posed with an interfaced approach are discussed. Preliminary results, of an initial investigation of the SEM/EDX interfaced with MRS to ultra-fine heterogeneous environmental particles, are given.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000273238800011 Publication Date (down) 2009-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:79801 Serial 8114
Permanent link to this record
 

 
Author Stroobants, N.; Dehairs, F.; Goeyens, L.; Vanderheijden, N.; Van Grieken, R.
  Title Barite formation in the Southern Ocean water column Type A1 Journal article
  Year 1991 Publication Marine chemistry Abbreviated Journal
  Volume 35 Issue Pages 411-421
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos A1991GZ58500031 Publication Date (down) 2009-09-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-4203; 1872-7581 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:664 Serial 7550
Permanent link to this record
 

 
Author Abakumov, A.M.; King, G.; Laurinavichute, V.K.; Rozova, M.G.; Woodward, P.M.; Antipov, E.V.
  Title The crystal structure of \alpha-K3AIF6: elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework Type A1 Journal article
  Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 48 Issue 19 Pages 9336-9344
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of α-K3AlF6 was solved and refined from a combination of powder X-ray and neutron diffraction data (a = 18.8385(3)Å, c = 33.9644(6)Å, S.G. I41/a, Z = 80, RP(X-ray) = 0.037, RP(neutron) = 0.053). The crystal structure is of the A2BB′X6 elpasolite type with the a = b ≈ ae√5, c = 4ae superstructure (ae, parameter of the elpasolite subcell) and rock-salt-type ordering of the K and Al cations over the B and B′ positions, respectively. The remarkable feature of α-K3AlF6 is a rotation of 2/5 of the AlF6 octahedra by π/4 around one of the crystal axes of the elpasolite subcell, coinciding with the 4-fold symmetry axes of the AlF6 octahedra. The rotation of the AlF6 octahedra replaces the corner-sharing between the K and Al polyhedra by edge-sharing, resulting in an increase of coordination numbers of the K cations at the B positions up to 7 and 8. Due to significant deformations of the K polyhedra, the corner-sharing connectivity of the octahedral elpasolite framework is broken and the rotations of the AlF6 octahedra do not have a cooperative character. Elpasolites and double perovskites with similar structural organization are discussed. The difference in ionic radii of the B and B′ cations as well as the tolerance factor are proposed to be the parameters governing the formation of elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000270091000039 Publication Date (down) 2009-09-03
  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 20 Open Access
  Notes Approved Most recent IF: 4.857; 2009 IF: 4.657
  Call Number UA @ lucian @ c:irua:79733 Serial 568
Permanent link to this record
 

 
Author Zhang, H.; Yang, J.-H.; Shpanchenko, R.V.; Abakumov, A.M.; Hadermann, J.; Clérac, R.; Dikarev, E.V.
  Title New class of single-source precursors for the synthesis of main group-transition metal oxides: heterobimetallic Pb-Mn \beta-diketonates Type A1 Journal article
  Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 48 Issue 17 Pages 8480-8488
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Heterometallic lead−manganese â-diketonates have been isolated in pure form by several synthetic methods that include solid-state and solution techniques. Two compounds with different Pb/Mn ratios, PbMn2(hfac)6 (1) and PbMn(hfac)4 (2) (hfac = hexafluoroacetylacetonate), can be obtained in quantitative yield by using different starting materials. Single crystal X-ray investigation revealed that the solid-state structure of 1 contains trinuclear molecules in which lead metal center is sandwiched between two [Mn(hfac)3] units, while 2 consists of infinite chains of alternating [Pb(hfac)2] and [Mn(hfac)2] fragments. The heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating-bridging fashion. Spectroscopic investigation confirmed the retention of heterometallic structures in solutions of non-coordinating solvents as well as upon sublimation-deposition procedure. Thermal decomposition of heterometallic diketonates has been systematically investigated in a wide range of temperatures and annealing times. For the first time, it has been shown that thermal decomposition of heterometallic diketonates results in mixed-metal oxides, while both the structure of precursors and the thermolysis conditions have a significant influence on the nature of the resulting oxides. Five different Pb−Mn oxides have been detected by X-ray powder diffraction when studying the decomposition of 1 and 2 in the temperature range 500−800 °C. The phase that has been previously reported as Pb0.43MnO2.18 was synthesized in the pure form by decomposition of 1, and crystallographically characterized. The orthorhombic unit cell parameters of this oxide, obtained by electron diffraction technique, have been subsequently refined using X-ray powder diffraction data. Besides that, a previously unknown lead−manganese oxide has been obtained at low temperature decomposition and short annealing times. The parameters of its monoclinically distorted unit cell have been determined. The EDX analysis revealed that this compound has a Pb/Mn ratio close to 1:4 and contains no appreciable amount of fluorine.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000269313500056 Publication Date (down) 2009-08-04
  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 28 Open Access
  Notes Approved Most recent IF: 4.857; 2009 IF: 4.657
  Call Number UA @ lucian @ c:irua:78486 Serial 2308
Permanent link to this record
 

 
Author Lepoittevin, C.; Hadermann, J.; Malo, S.; Pérez, O.; Van Tendeloo, G.; Hervieu, M.
  Title Two variants of the 1/2[110]p(203)p crystallographic shear structures: the phasoid Sr0.61Pb0.18(Fe0.75Mn0.25)O2.29 Type A1 Journal article
  Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 48 Issue 17 Pages 8257-8262
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000269313500032 Publication Date (down) 2009-07-24
  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 11 Open Access
  Notes Esteem 026019 Approved Most recent IF: 4.857; 2009 IF: 4.657
  Call Number UA @ lucian @ c:irua:78482 Serial 3786
Permanent link to this record
 

 
Author Hadermann, J.; Abakumov, A.M.; Adkin, J.J.; Hayward, M.A.
  Title Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO2+x Type A1 Journal article
  Year 2009 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 131 Issue 30 Pages 10598-10604
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The anion-deficient perovskite 4H-BaMnO2+x has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO3−x. The crystal structure of 4H-BaMnO2+x was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) Å, b = 9.466(2) Å, c = 11.276(3) Å, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO2.5 and h-type BaO1.5 layers. The ordering of the oxygen vacancies transforms the Mn2O9 units of face-sharing MnO6 octahedra into Mn2O7 (two corner-sharing tetrahedra) and Mn2O6 (two edge-sharing tetrahedra) groups. The Mn2O7 and Mn2O6 groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO2.5 and BaO1.5 layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO2+x adopts an antiferromagnetically ordered state below TN ≈ 350 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000268644400056 Publication Date (down) 2009-07-01
  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 25 Open Access
  Notes Approved Most recent IF: 13.858; 2009 IF: 8.580
  Call Number UA @ lucian @ c:irua:77928 Serial 3681
Permanent link to this record
 

 
Author Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B.
  Title Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 14 Pages 3242-3250
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000268174400032 Publication Date (down) 2009-06-24
  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 18 Open Access
  Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:78285 Serial 3682
Permanent link to this record
 

 
Author Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V.
  Title Original close-packed structure and magnetic properties of the Pb4Mn9O20 manganite Type A1 Journal article
  Year 2009 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 182 Issue 8 Pages 2231-2238
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000269066400035 Publication Date (down) 2009-06-12
  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 5 Open Access
  Notes The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. Approved Most recent IF: 2.299; 2009 IF: 2.340
  Call Number UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935 Serial 2529
Permanent link to this record
 

 
Author Verlooy, P.; Aerts, A.; Lebedev, O.I.; Van Tendeloo, G.; Kirschhock, C.; Martens, J.A.
  Title Synthesis of highly stable pure-silica thin-walled hexagonally ordered mesoporous material Type A1 Journal article
  Year 2009 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume Issue 28 Pages 4287-4289
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hexagonally ordered mesoporous silica with a very narrow mesopore size distribution and exceptionally high stability paired with unusually thin pore walls was prepared using piperidine and cetyltrimethylammonium bromide.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000267808000040 Publication Date (down) 2009-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 17 Open Access
  Notes Approved Most recent IF: 6.319; 2009 IF: 5.504
  Call Number UA @ lucian @ c:irua:77684 Serial 3457
Permanent link to this record
 

 
Author Felten, A.; Suarez-Martinez, I.; Ke, X.; Van Tendeloo, G.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Bittencourt, C.; Ewels, C.P.
  Title The role of oxygen at the interface between titanium and carbon nanotubes Type A1 Journal article
  Year 2009 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
  Volume 10 Issue 11 Pages 1799-1804
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We study the interface between carbon nanotubes (CNTs) and surface-deposited titanium using electron microscopy and photoemission spectroscopy, supported by density functional calculations. Charge transfer from the Ti atoms to the nanotube and carbide formation is observed at the interface which indicates strong interaction. Nevertheless, the presence of oxygen between the Ti and the CNTs significantly weakens the Ti-CNT interaction. Ti atoms at the surface will preferentially bond to oxygenated sites. Potential sources of oxygen impurities are examined, namely oxygen from any residual atmosphere and pre-existing oxygen impurities on the nanotube surface, which we enhance through oxygen plasma surface pre-treatment. Variation in literature data concerning Ohmic contacts between Ti and carbon nanotubes is explained via sample pre-treatment and differing vacuum levels, and we suggest improved treatment routes for reliable Schottky barrier-free Ti-nanotube contact formation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000268817800015 Publication Date (down) 2009-05-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.075 Times cited 38 Open Access
  Notes Pai Approved Most recent IF: 3.075; 2009 IF: 3.453
  Call Number UA @ lucian @ c:irua:77939 Serial 2918
Permanent link to this record
 

 
Author Lisiecki, I.; Turner, S.; Bals, S.; Pileni, M.P.; Van Tendeloo, G.
  Title The remarkable and intriguing resistance to oxidation of 2D ordered hcp Co nanocrystals: a new intrinsic property Type A1 Journal article
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 12 Pages 2335-2338
  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 000267049200001 Publication Date (down) 2009-05-14
  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 28 Open Access
  Notes Iap-Vi; Esteem 026019 Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:77887 Serial 2867
Permanent link to this record
 

 
Author Hamelet, S.; Gibot, P.; Casas-Cabanas, M.; Bonnin, D.; Grey, C.P.; Cabana, J.; Leriche, J.B.; Rodriguez-Carvajal, J.; Courty, M.; Levasseur, S.; Carlach, P.; Van Thournout, M.; Tarascon, J.M.; Masquelier, C.;
  Title The effects of moderate thermal treatments under air on LiFePO4-based nano powders Type A1 Journal article
  Year 2009 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 19 Issue 23 Pages 3979-3991
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The thermal behavior under air of LiFePO(4)-based powders was investigated through the combination of several techniques such as temperature-controlled X-ray diffraction, thermogravimetric analysis and Mossbauer and NMR spectroscopies. The reactivity with air at moderate temperatures depends on the particle size and leads to progressive displacement of Fe from the core structure yielding nano-size Fe(2)O(3) and highly defective, oxidized Li(x)Fe(y)PO(4) compositions whose unit-cell volume decreases dramatically when the temperature is raised between 400 and 600 K. The novel LiFePO(4)-like compositions display new electrochemical reactivity when used as positive electrodes in Li batteries. Several redox phenomena between 3.4 V and 2.7 V vs. Li were discovered and followed by in-situ X-ray diffraction, which revealed two distinct solid solution domains associated with highly anisotropic variations of the unit-cell constants.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000266615800024 Publication Date (down) 2009-05-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 93 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:94582 Serial 867
Permanent link to this record
 

 
Author Lindner, H.; Autrique, D.; Garcia, C.C.; Niemax, K.; Bogaerts, A.
  Title Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry Type A1 Journal article
  Year 2009 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 81 Issue 11 Pages 4241-4248
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000266601800014 Publication Date (down) 2009-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 18 Open Access
  Notes Approved Most recent IF: 6.32; 2009 IF: 5.214
  Call Number UA @ lucian @ c:irua:76935 Serial 2492
Permanent link to this record
 

 
Author Mandal, T.K.; Croft, M.; Hadermann, J.; Van Tendeloo, G.; Stephens, P.W.; Greenblatt, M.
  Title La2MnVO6 double perovskite: a structural, magnetic and X-ray absorption investigation Type A1 Journal article
  Year 2009 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 19 Issue 25 Pages 4382-4390
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The synthesis, electron diffraction (ED), synchrotron X-ray and neutron structure, X-ray absorption spectroscopy (XAS) and magnetic property studies of La2MnVO6 double perovskite are described. Analysis of the synchrotron powder X-ray diffraction data for La2MnVO6 indicates a disordered arrangement of Mn and V at the B-site of the perovskite structure. Absence of super-lattice reflections in the ED patterns for La2MnVO6 supports the disordered cation arrangement. Room temperature time-of-flight (TOF) neutron powder diffraction (NPD) data show no evidence of cation ordering, in corroboration with the ED and synchrotron studies (orthorhombic Pnma, a = 5.6097(3), b = 7.8837(5) and c = 5.5668(3) ; 295 K, NPD). A comparison of XAS analyses of La2TVO6 with T = Ni and Co shows T2+ formal oxidation state while the T = Mn material evidences a Mn3+ admixture into a dominantly Mn2+ ground state. V-K edge measurements manifest a mirror image behavior with a V4+ state for T = Ni and Co with a V3+ admixture arising in the T = Mn material. The magnetic susceptibility data for La2MnVO6 show ferromagnetic correlations; the observed effective moment, µeff (5.72 µB) is much smaller than the calculated moment (6.16 µB) based on the spin-only formula for Mn2+ (d5, HS) /V4+ (d1), supportive of the partly oxidized Mn and reduced V scenario (Mn3+/V3+).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000266989800015 Publication Date (down) 2009-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 10 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:77367 Serial 3540
Permanent link to this record
 

 
Author Verberck, B.; Vliegenthart, G.A.; Gompper, G.
  Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
  Year 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 130 Issue 15 Pages 154510,1-154510,14
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000265486300036 Publication Date (down) 2009-04-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.965; 2009 IF: 3.093
  Call Number UA @ lucian @ c:irua:77258 Serial 2519
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Author Hadermann, J.; Abakumov, A.M.; Van Rompaey, S.; Mankevich, A.S.; Korsakov, I.E.
  Title Comment on ALaMn2O6-y (A = K, Rb): novel ferromagnetic manganites exhibiting negative giant magnetoresistance Type Editorial
  Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 21 Issue 9 Pages 2000-2001
  Keywords Editorial; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000265781000036 Publication Date (down) 2009-04-14
  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 4 Open Access
  Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
  Call Number UA @ lucian @ c:irua:77055 Serial 411
Permanent link to this record
 

 
Author Nikolaev, A.V.; Verberck, B.; Ionova, G.V.
  Title Molecular interaction energies and optimal configuration of a cubane dimer Type A1 Journal article
  Year 2010 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem
  Volume 110 Issue 5 Pages 1063-1069
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000274720000011 Publication Date (down) 2009-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.92 Times cited 1 Open Access
  Notes ; ; Approved Most recent IF: 2.92; 2010 IF: 1.302
  Call Number UA @ lucian @ c:irua:81944 Serial 2179
Permanent link to this record
 

 
Author Smeulders, G.; Meynen, V.; van Baelen, G.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Maes, B.U.W.; Cool, P.
  Title Rapid microwave-assisted synthesis of benzene bridged periodic mesoporous organosilicas Type A1 Journal article
  Year 2009 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 19 Issue 19 Pages 3042-3048
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
  Abstract Following extended use in organic chemistry, microwave-assisted synthesis is gaining more importance in the field of inorganic chemistry, especially for the synthesis of nanoporous materials. It offers some major advantages such as a significant shortening of the synthesis time and an improved promotion of nucleation. In the research here reported, microwave technology is applied for the synthesis of benzene bridged PMOs (periodic mesoporous organosilicas). PMOs are one of the latest innovations in the field of hybrid ordered mesoporous materials and have attracted much attention because of their feasibility in electronics, catalysis, separation and sorption applications. The different synthesis steps (stirring, aging and extraction) of the classical PMO synthesis are replaced by microwave-assisted synthesis steps. The characteristics of the as-synthesized materials are evaluated by X-ray diffraction, N2-sorption, thermogravimetric analysis, scanning- and transmission electron microscopy. The microwave-assisted synthesis drastically reduces the synthesis time by more than 40 hours without any loss in structural properties, such as mesoscale and molecular ordering. The porosity of the PMO materials has even been improved by more than 25%. Moreover, the number of handling/transfer steps and amounts of chemicals and waste are drastically reduced. The study also shows that there is a clear time (1 to 3 hours) and temperature frame (373 K to 403 K) wherein synthesis of benzene bridged PMO is optimal. In conclusion, the microwave-assisted synthesis pathway allows an improved material to be obtained in a more economical way i.e. a much shorter time with fewer chemicals and less waste.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000265919300024 Publication Date (down) 2009-03-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 20 Open Access
  Notes Fwo; Iwt Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:76844 Serial 2810
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