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Author Nourbakhsh, A.; Cantoro, M.; Klekachev, A.V.; Pourtois, G.; Vosch, T.; Hofkens, J.; van der Veen, M.H.; Heyns, M.M.; de Gendt, S.; Sels, B.F.
  Title Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties Type A1 Journal article
  Year (up) 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 33 Pages 16619-16624
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This contribution presents the effects of a mild O2 plasma treatment on the structural, optical, and electrical properties of single-layer (SLG) and bilayer graphene (BLG). Unexpectedly, we observe only photoluminescence in the SLG parts of a graphene flake composed of regions of various thickness upon O2 plasma treatment, whereas the BLG and few-layer graphene (FLG) parts remain optically unchanged. Confirmed with X-ray photoelectron spectroscopy (XPS) that O2 plasma induces epoxide and hydroxyl-like groups in graphene, density functional theory (DFT) calculations are carried out on representative epoxidized and hydroxylated SLG and BLG models to predict density of states (DOS) and band structures. Sufficiently oxidized SLG shows a bandgap and thus loss of semimetallic behavior, while oxidized BLG maintains its semimetallic behavior even at high oxygen density in agreement with the results of the photoluminescence spectroscopy (PL) experiments. DFT calculations confirm that the Fermi velocity in epoxidized BLG is remarkably comparable with that of pristine SLG, pointing to a similarity of electronic band structure. The similarity is also experimentally demonstrated by the electrical characterization of a plasma-treated BLG-FET. As expected from the electronegative oxygen adatoms in the graphene, epoxidized BLG presents conductive features typical of hole doping. Moreover, the electrical characteristics suggest band structures closely related to that of epoxidized graphene while deviating from that of hydroxylated graphene. Finally, upon O2 plasma treatment of BLG, the four-component 2D peak around 2700 cm1 in the Raman spectrum evolves into a single Lorentzian line, very like the 2D peak of pristine SLG. Summarizing, the data in this contribution recommend that a controlled O2 plasma treatment, which is compatible with CMOS process flow in contrast to wet chemical oxidation methods, provides an efficient and valuable technique to exploit the transport properties of the bottom layer of BLG.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000294077000047 Publication Date 2011-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 46 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:91715 Serial 3024
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Author Smeulders, G.; van Oers, C.; Van Havenbergh, K.; Houthoofd, K.; Mertens, M.; Martens, J.A.; Bals, S.; Maes, B.U.W.; Meynen, V.; Cool, P.
  Title Smart heating profiles for the synthesis of benzene bridged periodic mesoporous organosilicas Type A1 Journal article
  Year (up) 2011 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
  Volume 175 Issue Pages 585-591
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
  Abstract In this study the effects of the heating rate and heating time on the formation of crystal-like benzene bridged periodic mesoporous organosilicas (PMOs) are investigated. The time needed to heat up an autoclave during the hydrothermal treatment has shown to be crucial in the synthesis of PMOs, while the total duration of heating gave rise to only minor differences. By choosing a smart heating profile, superior PMO materials can be obtained in a short time. Different heating profiles in a range from one minute to one hour are adopted by microwave equipment and compared with conventional heating methods. The heating rate has a large influence on the porosity characteristics and the uniformity of the obtained particles. Moreover, two new alternative synthetic strategies to adopt the smart heating profile are presented, in order to give some possible solutions for the expensive microwave equipment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000297875900069 Publication Date 2011-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.216 Times cited 7 Open Access
  Notes Fwo; Goa-Bof Approved Most recent IF: 6.216; 2011 IF: 3.461
  Call Number UA @ lucian @ c:irua:93630 Serial 3044
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Author Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G.
  Title Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F Type A1 Journal article
  Year (up) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 15 Pages 3540-3545
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000293357100019 Publication Date 2011-07-11
  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 Fwo; Bof Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:90357 Serial 3053
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Author Canioni, R.; Roch-Marchal, C.; Sécheresse, F.; Horcajada, P.; Serre, C.; Hardi-Dan, M.; Férey, G.; Grenèche, J.-M.; Lefebvre, F.; Chang, J.-S.; Hwang, Y.-K.; Lebedev, O.; Turner, S.; Van Tendeloo, G.
  Title Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe) Type A1 Journal article
  Year (up) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 4 Pages 1226-1233
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000286110400042 Publication Date 2010-11-25
  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 158 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:88642 Serial 3145
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Author Rusakov, D.; Abakumov, A.M.; Yamaura, K.; Belik, A.A.; Van Tendeloo, G.; Takayama-Muromachi, E.
  Title Structural evolution of the BiFeO3-LaFeO3 system Type A1 Journal article
  Year (up) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 2 Pages 285-292
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The (1 − x)BiFeO3−xLaFeO3 system has been investigated and characterized by room-temperature and high-temperature laboratory and synchrotron powder X-ray diffraction, electron diffraction, high-resolution transmission electron microscopy, differential scanning calorimetry, and magnetization measurements. At room temperature, the ferroelectric R3c phase is observed for 0.0 ≤ x ≤ 0.10. The PbZrO3-related √2ap × 2√2ap × 4ap superstructure (where ap is the parameter of the cubic perovskite subcell) is observed for Bi0.82La0.18FeO3, while an incommensurately modulated phase is formed for 0.19 ≤ x ≤ 0.30 with the √2ap × 2ap × √2ap basic unit cell. The GdFeO3-type phase with space group Pnma (√2ap × 2ap × √2ap) is stable at 0.50 ≤ x ≤ 1. Bi0.82La0.18FeO3 has no detectable homogeneity range (space group Pnam, a = 5.6004(1) Å, b = 11.2493(3) Å, c = 15.6179(3) Å). The incommensurately modulated Bi0.75La0.25FeO3 structure was solved from synchrotron X-ray powder diffraction data (Imma(00γ)s00 superspace group, a = 5.5956(1) Å, b = 7.8171(1) Å, c = 5.62055(8) Å, q = 0.4855(4)c*, RP = 0.023, RwP = 0.033). In this structure, cooperative displacements of the Bi and O atoms occur, which order within the (AO) (where A = Bi, La) layers, resulting in an antipolar structure. Local fluctuations of the intralayer antipolar ordering are compensated by an interaction with the neighboring (AO) layers. A coupling of the antipolar displacements with the cooperative tilting distortion of the perovskite octahedral framework is proposed as the origin of the incommensurability. All the phases transform to the GdFeO3-type structure at high temperatures. Bi0.82La0.18FeO3 shows an intermediate PbZrO3-type phase with √2ap × 2√2ap × 2ap (space group Pbam; a = 5.6154(2) Å, b = 11.2710(4) Å, and c = 7.8248(2) Å at 570 K). The compounds in the compositional range of 0.18 ≤ x ≤ 0.95 are canted antiferromagnets.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000286160800021 Publication Date 2010-12-23
  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 133 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:88650 Serial 3236
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Author Shenderova, O.; Koscheev, A.; Zaripov, N.; Petrov, I.; Skryabin, Y.; Detkov, P.; Turner, S.; Van Tendeloo, G.
  Title Surface chemistry and properties of ozone-purified detonation nanodiamonds Type A1 Journal article
  Year (up) 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 20 Pages 9827-9837
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanodiamond from ozone purification (NDO) demonstrates very distinctive properties within the class of detonation nanodiamonds, namely very high acidity and high colloidal stability in a broad pH range. To understand the origin of these unusual properties of NDO, the nature of the surface functional groups formed during detonation soot oxidation by ozone needs to be revealed. In this work, thermal desorption mass spectrometry (TDMS) and IR spectroscopy were used for the identification of surface groups and it was concluded that carboxylic anhydride groups prevail on the NDO surface. On the basis of the temperature profiles of the desorbed volatile products and their mass balance, it is hypothesized that decomposition of carboxylic anhydride groups from NDO during heating proceeds by two different mechanisms. Other distinctive features of NDO in comparison with air-treated nanodiamond are also reported.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000290652200001 Publication Date 2011-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 105 Open Access
  Notes Esteem 026019; Fwo Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:89556 Serial 3394
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Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Van Tendeloo, G.; Greenblatt, M.
  Title Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO6(A = Sr, Ba) Type A1 Journal article
  Year (up) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 1 Pages 199-205
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000285067300025 Publication Date 2010-10-26
  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 3 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:95527 Serial 3440
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Author Novitskaya, M.; Makhnach, L.; Ivashkevich, L.; Pankov, V.; Klein, H.; Regeau, A.; David, J.; Gemmi, M.; Hadermann, J.; Strobel, P.
  Title Synthesis, crystal structure and physico-chemical properties of the new quaternary oxide Sr5BiNi2O9.6 Type A1 Journal article
  Year (up) 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 184 Issue 12 Pages 3262-3268
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A new black quaternary oxide Sr5BiNi2O9.6 was synthesized by solid state reaction at 1200 °C. Its structure was solved by electron crystallography and X-ray powder refinement, yielding a tetragonal structure with space group I4/mmm, a=5.3637 (2) Å, c=17.5541(5) Å, Z=4. The structure can be described as a stacking of (Bi,Sr)O rocksalt slabs and SrNiO3−δ perovskite slabs. The initial nickel valence is close to +3.1. Thermogravimetry and high-temperature oxygen coulometry showed that this compound has variable oxygen content as a function of temperature and oxygen pressure, and ultimately decomposes when heated in low oxygen pressure above 800 °C. It is a metallic conductor with n-type conduction. Its thermoelectric power was determined and found to be −20 and −38 μV/K at 300 and 650 °C, respectively. Magnetic measurements confirm the nickel valence close to +3 and show evidence of magnetic ordering at 20 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000297662500021 Publication Date 2011-10-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 4 Open Access
  Notes Approved Most recent IF: 2.299; 2011 IF: 2.159
  Call Number UA @ lucian @ c:irua:94016 Serial 3451
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Author Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V.
  Title Pb2.85Ba2.15Fe4SnO13 : a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series Type A1 Journal article
  Year (up) 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 184 Issue 12 Pages 3150-3157
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Pb2.85Ba2.15Fe4SnO13, a new n=5 member of the anion-deficient perovskite based AnBnO3n−2 (A=Pb, Ba, B=Fe, Sn) homologous series, was synthesized by the solid state method. The crystal structure of Pb2.85Ba2.15Fe4SnO13 was investigated using a combination of neutron powder diffraction, electron diffraction, high angle annular dark field scanning transmission electron microscopy and Mössbauer spectroscopy. It crystallizes in the Ammm space group with unit cell parameters a=5.7990(1) Å, b=4.04293(7) Å and c=26.9561(5) Å. The Pb2.85Ba2.15Fe4SnO13 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110](1̄01)p crystallographic shear (CS) planes. The corner-sharing FeO6 octahedra at the CS planes are transformed into edge-sharing FeO5 distorted tetragonal pyramids. The octahedral positions in the perovskite blocks between the CS planes are jointly taken up by Fe and Sn, with a preference of Sn towards the position at the center of the perovskite block. The chains of FeO5 pyramids and (Fe,Sn)O6 octahedra of the perovskite blocks delimit six-sided tunnels at the CS planes occupied by double chains of Pb atoms. The compound is antiferromagnetically ordered below TN=368±15 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000297662500003 Publication Date 2011-09-30
  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 7 Open Access
  Notes Approved Most recent IF: 2.299; 2011 IF: 2.159
  Call Number UA @ lucian @ c:irua:94013 Serial 3550
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Author Dixon, E.; Hadermann, J.; Hayward, M.A.
  Title The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 Type A1 Journal article
  Year (up) 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 184 Issue 7 Pages 1791-1799
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000292718500032 Publication Date 2011-05-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.299; 2011 IF: 2.159
  Call Number UA @ lucian @ c:irua:90885 Serial 3600
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Author Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A.
  Title Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation Type A1 Journal article
  Year (up) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 6 Pages 1414-1423
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000288291400011 Publication Date 2011-02-23
  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 9 Open Access
  Notes Iwt; Fwo; Esteem 026019; Iap Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:87642 Serial 3605
Permanent link to this record
 

 
Author Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
  Title Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study Type A1 Journal article
  Year (up) 2011 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 510 Issue 1/3 Pages 14-17
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000291478400002 Publication Date 2011-05-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.815 Times cited 14 Open Access
  Notes Approved Most recent IF: 1.815; 2011 IF: 2.337
  Call Number UA @ lucian @ c:irua:90453 Serial 3625
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Author Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C.
  Title Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals Type A1 Journal article
  Year (up) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 31 Pages 11556-11565
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000293190200018 Publication Date 2011-04-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 44 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:91945 Serial 3632
Permanent link to this record
 

 
Author Lin, K.; Lebedev, O.I.; Van Tendeloo, G.; Jacobs, P.A.; Pescarmona, P.P.
  Title Titanosilicate beads with hierarchical porosity : synthesis and application as epoxidation catalysts Type A1 Journal article
  Year (up) 2011 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
  Volume 16 Issue 45 Pages 13509-13518
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Porous titanosilicate beads with a diameter of 0.51.5 mm (TiSil-HPB-60) were synthesized from a preformed titanosilicate solution with a porous anion-exchange resin as template. The bead format of this material enables its straightforward separation from the reaction mixture in its application as a liquid-phase heterogeneous catalyst. The material displays hierarchical porosity (micro/mesopores) and incipient TS-1 structure building units. The titanium species are predominantly located in tetrahedral framework positions. TiSil-HPB-60 is a highly active catalyst for the epoxidation of cyclohexene with t-butyl hydroperoxide (TBHP) and aqueous H2O2. With both oxidants, TiSil-HPB-60 gave higher epoxide yields than Ti-MCM-41 and TS-1. The improved catalytic performance of TiSil-HPB-60 is mainly ascribed to the large mesopores favoring the diffusion of reagents and products to and from the titanium active sites. The epoxide yield and selectivity could be further improved by silylation of the titanosilicate beads. Importantly, TiSil-HPB-60 is a stable catalyst immune to titanium leaching, and can be easily recovered and reused in successive catalytic cycles without significant loss of activity. Moreover, TiSil-HPB-60 is active and selective in the epoxidation of a wide range of bulky alkenes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000285398400029 Publication Date 2010-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.317 Times cited 38 Open Access
  Notes Iap; Goa Approved Most recent IF: 5.317; 2011 IF: 5.925
  Call Number UA @ lucian @ c:irua:88153 Serial 3668
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Author Zeng, Y.I.; Menghini, M.; Li, D.Y.; Lin, S.S.; Ye, Z.Z.; Hadermann, J.; Moorkens, T.; Seo, J.W.; Locquet, J.-P.; van Haesendonck, C.
  Title Unexpected optical response of single ZnO nanowires probed using controllable electrical contacts Type A1 Journal article
  Year (up) 2011 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 13 Issue 15 Pages 6931-6935
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Relying on combined electron-beam lithography and lift-off methods Au/Ti bilayer electrical contacts were attached to individual ZnO nanowires (NWs) that were grown by a vapor phase deposition method. Reliable Schottky-type as well as ohmic contacts were obtained depending on whether or not an ion milling process was used. The response of the ZnO NWs to ultraviolet light was found to be sensitive to the type of contacts. The intrinsic electronic properties of the ZnO NWs were studied in a field-effect transistor configuration. The transfer characteristics, including gate threshold voltage, hysteresis and operational mode, were demonstrated to unexpectedly respond to visible light. The origin of this effect could be accounted for by the presence of point defects in the ZnO NWs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000288951000019 Publication Date 2011-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 7 Open Access
  Notes Approved Most recent IF: 4.123; 2011 IF: 3.573
  Call Number UA @ lucian @ c:irua:89378 Serial 3807
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Author Kazakov, S.M.; Abakumov, A.M.; Perz-Mato, J.M.; Ovchinnikov, A.V.; Roslova, M.V.; Boltalin, A.I.; Morozov, I.V.; Antipov, E.V.; Van Tendeloo, G.
  Title Uniform patterns of Fe-vacancy ordering in the Kx(Fe,Co)2-ySe2 superconductors Type A1 Journal article
  Year (up) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 19 Pages 4311-4316
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Fe-vacancy ordering patterns in the superconducting KxFe2ySe2 and nonsuperconducting Kx(Fe,Co)2ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy. The Fe-vacancy ordering occurs in the ab plane of the parent ThCr2Si2-type structure, demonstrating two types of patterns. Superstructure I retains the tetragonal symmetry and can be described with the aI = bI = as√5 (as is the unit cell parameter of the parent ThCr2Si2-type structure) supercell and I4/m space group. Superstructure II reduces the symmetry to orthorhombic with the aII = as√2, bII = 2as√2 supercell and the Ibam space group. This type of superstructure is observed for the first time in KxFe2ySe2. The Fe-vacancy ordering is inhomogeneous: the disordered areas interleave with the superstructures I and II in the same crystallite. The observed superstructures represent the compositionally dependent uniform ordering patterns of two species (the Fe atoms and vacancies) on a square lattice. More complex uniform ordered configurations, including compositional stripes, can be predicted for different chemical compositions of the KxFe2ySe2 (0 < y < 0.5) solid solutions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000295487800005 Publication Date 2011-09-13
  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 20 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:92805 Serial 3810
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Author Philippaerts, A.; Paulussen, S.; Breesch, A.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Sels, B.; Jacobs, P.
  Title Unprecedented shape selectivity in hydrogenation of triacylglycerol molecules with Pt/ZSM-5 zeolite Type A1 Journal article
  Year (up) 2011 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 50 Issue 17 Pages 3947-3949
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Well tuned: ZSM-5 with platinum nanoparticles preferably hydrogenates trans fatty acids over cis isomers in model triacylglycerols for geometric reasons. The central fatty acid chain reacts faster, pointing to pore mouth adsorption in a tuning fork conformation (see picture). This conformation induces stepwise hydrogenation, resulting in fast removal of the unstable central triene, while formation of saturated chains is limited.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000289514100025 Publication Date 2011-03-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 31 Open Access
  Notes Approved Most recent IF: 11.994; 2011 IF: 13.455
  Call Number UA @ lucian @ c:irua:88381 Serial 3814
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Author Yang, X.-Y.; Tian, G.; Chen, L.-H.; Li, Y.; Rooke, J.C.; Wei, Y.-X.; Liu, Z.-M.; Deng, Z.; Van Tendeloo, G.; Su, B.-L.
  Title Well-organized zeolite nanocrystal aggregates with interconnected hierarchically micro-meso-macropore systems showing enhanced catalytic performance Type A1 Journal article
  Year (up) 2011 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
  Volume 17 Issue 52 Pages 14987-14995
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Preparation and characterization of well-organized zeolitic nanocrystal aggregates with an interconnected hierarchically micromesomacro porous system are described. Amorphous nanoparticles in bimodal aluminosilicates were directly transformed into highly crystalline nanosized zeolites, as well as acting as scaffold template. All pores on three length scales incorporated in one solid body are interconnected with each other. These zeolitic nanocrystal aggregates with hierarchically micromesomacroporous structure were thoroughly characterized. TEM images and 29Si NMR spectra showed that the amorphous phase of the initial material had been completely replaced by nanocrystals to give a micromesomacroporous crystalline zeolitic structure. Catalytic testing demonstrated their superiority due to the highly active sites and the presence of interconnected micromesomacroporosity in the cracking of bulky 1,3,5-triisopropylbenzene (TIPB) compared to traditional zeolite catalysts. This synthesis strategy was extended to prepare various zeolitic nanocrystal aggregates (ZSM-5, Beta, TS-1, etc.) with well-organized hierarchical micromesomacroporous structures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000298547300035 Publication Date 2011-11-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.317 Times cited 61 Open Access
  Notes Approved Most recent IF: 5.317; 2011 IF: 5.925
  Call Number UA @ lucian @ c:irua:96274 Serial 3913
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Author Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
  Title ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption Type A1 Journal article
  Year (up) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 16 Pages 5907-5915
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000289260000012 Publication Date 2011-03-19
  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 76 Open Access
  Notes Esteem 026019 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:88641 Serial 3936
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Author Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Dik, J.; Radepont, M.; Hendriks, E.; Geldof, M.; Cotte, M.
  Title Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods : 2 : original paint layer samples Type A1 Journal article
  Year (up) 2011 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 83 Issue 4 Pages 1224-1231
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The darkening of the original yellow areas painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is a phenomenon widely observed on several paintings by Vincent van Gogh, such as the famous different versions of Sunflowers. During our previous investigations on artificially aged model samples of lead chromate, we established for the first time that darkening of chrome yellow is caused by reduction of PbCrO4 to Cr2O3·2H2O (viridian green), likely accompanied by the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide]. In the second part of this work, in order to demonstrate that this reduction phenomenon effectively takes place in real paintings, we study original paint samples from two paintings of V. van Gogh. As with the model samples, in view of the thin superficial alteration layers that are present, high lateral resolution spectroscopic methods that make use of synchrotron radiation (SR), such as microscopic X-ray absorption near edge (μ-XANES) and X-ray fluorescence spectrometry (μ-XRF) were employed. Additionally, μ-Raman and mid-FTIR analyses were carried out to completely characterize the samples. On both paint microsamples, the local presence of reduced Cr was demonstrated by means of μ-XANES point measurements. The presence of Cr(III) was revealed in specific areas, in some cases correlated to the presence of Ba(sulfate) and/or to that of aluminum silicate compounds.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000287176900012 Publication Date 2011-02-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 84 Open Access
  Notes ; This research was funded by grants from ESRF (experiment EC-504) and by HASYLAB (experiments 11-20080130 EC and 11-20070157 EC) and was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) project nos. G.0103.04, G.0689.06, and G.0704.08. The staff of the Van Gogh Museum, Amsterdam, is acknowledged for their agreeable cooperation and for the authorization to publish the images of the paintings in this article. L.M. was financially supported by the Erasmus Placement in the framework of Lifelong Learning Programme (A.Y. 2009-2010). The EU Community's FP7 Research Infrastructures program under the CHARISMA Project (Grant Agreement 228330) is also acknowledged. ; Approved Most recent IF: 6.32; 2011 IF: 5.856
  Call Number UA @ admin @ c:irua:88795 Serial 5571
Permanent link to this record
 

 
Author Elia, A.; De Wael, K.; Dowsett, M.; Adriaens, A.
  Title Electrochemical deposition of a copper carboxylate layer on copper as potential corrosion inhibitor Type A1 Journal article
  Year (up) 2011 Publication Journal of solid state electrochemistry Abbreviated Journal J Solid State Electr
  Volume 16 Issue 1 Pages 143-148
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Carboxylic acids and sodium carboxylates are used to protect metals against aqueous and atmospheric corrosion. In this paper, we describe the application of a layer of copper carboxylate on the surface of a copper electrode by means of cyclic voltammetry technique and tests which measure the corresponding resistance to aqueous corrosion. Unlike the soaking process, which also forms a film on the surface, the use of cyclic voltammetry allows one to follow the deposition process of the copper carboxylates onto the electrode. The modified electrodes have been characterised with infrared spectroscopy. In addition, the corrosion resistance of the film has been investigated using polarisation resistance and Tafel plot measurements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000298651700018 Publication Date 2011-01-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1432-8488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.316 Times cited 8 Open Access
  Notes ; Authors would like to acknowledge the Research Foundation-Flanders (FWO) for funding assistance (A. Elia is a FWO aspirant) and V. Vermeersch and S. Van Vlierberghe (Ghent University, Polymer Chemistry and Biomaterials Research Group) for the FTIR-ATR measurements. ; Approved Most recent IF: 2.316; 2011 IF: 2.131
  Call Number UA @ admin @ c:irua:89618 Serial 5588
Permanent link to this record
 

 
Author De Wael, K.; Verstraete, A.; van Vlierberghe, S.; Dejonghe, W.; Dubruel, P.; Adriaens, A.
  Title The electrochemistry of a gelatin modified gold electrode Type A1 Journal article
  Year (up) 2011 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
  Volume 6 Issue 6 Pages 1810-1819
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract This paper discusses the electrochemical behaviour of gelatin coated gold electrodes in physiological pH conditions in a potential window −1.5 till 1.0 V vs SCE by performing cyclic voltammetry. A comparison is made between gelatin A and gelatin B, which have respectively a positive and a negative net charge at physiological pH. The deposition of gelatin onto the gold surface is confirmed by means of attenuated total reflection-infrared (ATR-IR) spectroscopic analyses.
  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; WoS full record; WoS citing articles
  Impact Factor 1.469 Times cited Open Access
  Notes ; The authors would like to acknowledge the Flemish Institute for Technological Research (VITO, Belgium) and the Research Foundation-Flanders (FWO, Belgium) for the Ph.D. funding granted to Annelies Verstraete. Karolien De Wael and Sandra Van Vlierberghe are also grateful to the Research Foundation-Flanders (FWO, Belgium) for their postdoctoral fellowship. ; Approved Most recent IF: 1.469; 2011 IF: 3.729
  Call Number UA @ admin @ c:irua:89617 Serial 5598
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Author Horemans, B.; Cardell, C.; Bencs, L.; Kontozova-Deutsch, V.; De Wael, K.; Van Grieken, R.
  Title Evaluation of airborne particles at the Alhambra monument in Granada, Spain Type A1 Journal article
  Year (up) 2011 Publication Microchemical journal Abbreviated Journal Microchem J
  Volume 99 Issue 2 Pages 429-438
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract As a part of an ongoing investigation regarding the air quality at the Alhambra monument (UNESCO World Cultural Heritage), indoor and outdoor atmospheric aerosols (PM1 and PM10-1) and pollutant gases (O3, NO2, SO2 and NH3) were studied during summer and winter. Bulk elements, ionic compounds and black carbon (BC) in aerosols were analyzed with X-ray fluorescence spectrometry, ion chromatography and aethalometry/reflectometry, respectively. Natural PM10-1 aerosols, such as carbonate-rich soil and sea salts, reacted with a typical urban atmosphere, producing a mixture of particulates with diverse chemical composition. The content/formation of secondary inorganic aerosols depended on the air temperature and absolute humidity. Ratios of typical mineral elements (i.e., Ti/Fe and Si/Fe) showed that Saharan dust events contribute to the composition of the observed mineral aerosol content. BC, V and Ni originated from diesel exhaust, while Cu, Cr, Pb and Zn came mainly from non-exhaust vehicular emissions. Weathering phenomena, such as blackening and pigment discoloration, which could arise from gradual aerosol deposition indoors, are discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000295770700042 Publication Date 2011-06-28
  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 3.034 Times cited 39 Open Access
  Notes ; ; Approved Most recent IF: 3.034; 2011 IF: 3.048
  Call Number UA @ admin @ c:irua:91720 Serial 5611
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Author Kontozova-Deutsch, V.; Deutsch, F.; Bencs, L.; Krata, A.; Van Grieken, R.; De Wael, K.
  Title Optimization of the ion chromatographic quantification of airborne fluoride, acetate and formate in the Metropolitan Museum of Art, New York Type A1 Journal article
  Year (up) 2011 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta
  Volume 86 Issue Pages 372-376
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Ion chromatographic (IC) methods have been compared in order to achieve an optimal separation of fluoride, acetate and formate under various elution conditions on two formerly introduced analytical columns (i and ii) and a novel one (iii): (i) an IonPac AS14 (250 mm × 4 mm I.D.), (ii) Allsep A-2 (150 mm × 4.6 mm I.D.), and (iii) an IC SI-50 4E (250 mm (length) × 4 mm (internal diameter – I.D.)). The IC conditions for the separation of the anions concerned were optimized on the IC SI-50 4E column. A near baseline separation of these anions was attained on the IonPac AS14, whereas the peaks of fluoride and acetate could not be resolved on the Allsep A-2. A baseline separation for the three anions was achieved on the IC SI-50 4E column, when applying an eluent mixture of 3.2 mmol/L Na2CO3 and 1.0 mmol/L NaHCO3 with a flow rate of 1.0 mL/min. The highest precision of 1.7, 3.0 and 2.8% and the best limits of detection (LODs) of 0.014, 0.22 and 0.17 mg/L for fluoride, acetate and formate, respectively, were obtained with the IC SI-50 4E column. Hence, this column was applied for the determination of the acetic and formic acid contents of air samples taken by means of passive gaseous sampling at the Metropolitan Museum of Art in New York, USA. Atmospheric concentrations of acetic and formic acid up to 1050 and 450 μg/m3, respectively, were found in non-aerated showcases of the museum. In galleries and outdoors, rather low levels of acetic and formic acid were detected with average concentrations of 50 and 10 μg/m3, respectively. The LOD data of acetate and formate on the IC SI-50 4E column correspond to around 0.5 μg/m3 for both acetic and formic acid in air samples.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000298126300048 Publication Date 2011-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.162 Times cited 19 Open Access
  Notes ; The authors gratefully acknowledge the support of Marco Leona and the staff of the Metropolitan Museum of Art in New York during the sampling campaigns. The technical assistance and advice by Dr. Takashi Kotsuka and Shodex Benelux are acknowledged as well. ; Approved Most recent IF: 4.162; 2011 IF: 3.794
  Call Number UA @ admin @ c:irua:92066 Serial 5762
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Author Rouchon, V.; Duranton, M.; Burgaud, C.; Pellizzi, E.; Lavédrine, B.; Janssens, K.; de Nolf, W.; Nuyts, G.; Vanmeert, F.; Hellemans, K.
  Title Room-temperature study of iron gall ink impregnated paper degradation under various oxygen and humidity conditions : time-dependent monitoring by viscosity and X-ray absorption near-edge spectrometry measurements Type A1 Journal article
  Year (up) 2011 Publication Analytical chemistry Abbreviated Journal Anal Chem
  Volume 83 Issue 7 Pages 2589-2597
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Many western manuscripts were written using iron gall inks. These inks can damage the paper via two major mechanisms: (a) acid hydrolysis, enhanced by humidity, and (b) oxidative depolymerization provoked by the presence of oxygen and free iron(II) ions. The degradation of unsized Whatman paper impregnated with different combinations of iron sulfate, gallic acid, and gum arabic was studied at room temperature in order to assess the relative importance of each mechanism. The samples were stored in various environments including a dry and/or an oxygen-free atmosphere. The cellulose depolymerization was monitored by viscometry and related to changes in the oxidation state of iron, determined by X-ray absorption near-edge spectrometry. The results indicate that residual amounts of oxygen (less than 0.1%) promote cellulose depolymerization, whereas the level of relative humidity has no impact. The cellulose depolymerization also appears closely correlated to oxidative mechanisms. Regarding the oxidation of iron, it only occurs in the simultaneous presence of oxygen and moisture, suggesting the occurrence of rustlike oxidative mechanisms. Finally, the presence of gallic acid has a strong influence, which is only partially explained by its capacity to reduce iron(III) to iron(II).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000288887700028 Publication Date 2011-03-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.32 Times cited 28 Open Access
  Notes ; This research was supported by the French Ministry of Culture within the National Program of Research (“La conservation des manuscrits: etude du vieillissement naturel de papiers impregnes d'encres ferrogalliques”). It was funded by grants from HASYLAB (experiments I-20090280 EC and II-20060245 EC) and SOLEIL (proposals 20060396 and 20080761) and was supported by the Interuniversity Attraction Poles Programme Belgian Science Policy (1UAP V1/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects nos. G.0689.06, G.0704.08 and G017909N. We are thankful to Dr. Dominique Thaudiere, Dr. Solenn Reguer, Dr. Andrea Somogyi, Dr. Karen Appel, Dr. Manuela Borchert, and Dr. Gerald Falkenberg for their assistance and help during the experiments performed at SOLEIL beamline “DIFFABS” and at HASYLAB Beam line “L” respectively. ; Approved Most recent IF: 6.32; 2011 IF: 5.856
  Call Number UA @ admin @ c:irua:89593 Serial 5822
Permanent link to this record
 

 
Author Kontozova-Deutsch, V.; Deutsch, F.; Godoi, R.H.M.; Van Grieken, R.; De Wael, K.
  Title Urban air pollutants and their micro effects on medieval stained glass windows Type A1 Journal article
  Year (up) 2011 Publication Microchemical journal Abbreviated Journal Microchem J
  Volume 99 Issue 2 Pages 508-513
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Levels of urban gaseous and particulate pollutants were investigated in the Cathedral of Cologne, Germany in the framework of the EU-project VIDRIO. The purpose of this study was to evaluate the influence of a protective double glazing system on the preservation of ancient stained glass windows by sampling at protected and unprotected windows (indoors, in the interspace and outdoor of the Cathedral). The interspace between the ancient stained glass window and the protective glazing is flushed in the Cathedral by indoor air, hence isolating the historic glass from the outdoor air and exposing it to indoor air on both sides of the glass panels. Concentrations of aggressive gaseous pollutants such as NO2, SO2, O3 and CO2 as well as elemental concentrations of bulk particles and relative abundances of single particles were surveyed at all sampling locations. Elemental concentrations in bulk particulate matter were found to be significantly lower inside the Cathedral in comparison to the outdoor air. This result is advantageous for the stained glass windows. Single particle analysis of the samples from Cologne showed also soil dust and organic particles as well as sulphates and nitrates, from which the latter two compounds are dangerous for the stained glass windows. On the base of the obtained results, it can be concluded that the protective glazing system in the Cathedral of Cologne can be considered as predominantly advantageous from both the gases' point of view (except for NO2-candles burning) and from the particles' point of view.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000295770700053 Publication Date 2011-07-23
  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 3.034 Times cited 6 Open Access
  Notes ; This research was supported by the European Commission through the “VIDRIO-project”, contract no. EVK4-CT-2001-00045. Financial support is gratefully acknowledged. The authors acknowledge the assistance and advice during the experimental work given by the Dombauhutte team in Cologne, especially by Dr. Ulrike Brinkman and Gunter Hettinger. ; Approved Most recent IF: 3.034; 2011 IF: 3.048
  Call Number UA @ admin @ c:irua:91078 Serial 5889
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Author Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S.
  Title The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst Type A1 Journal article
  Year (up) 2011 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
  Volume 174 Issue 1 Pages 318-325
  Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000296950300041 Publication Date 2011-09-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.216 Times cited 39 Open Access
  Notes ; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; Approved Most recent IF: 6.216; 2011 IF: 3.461
  Call Number UA @ admin @ c:irua:93364 Serial 5929
Permanent link to this record
 

 
Author Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A.
  Title A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants Type A1 Journal article
  Year (up) 2011 Publication Chemsuschem Abbreviated Journal Chemsuschem
  Volume 4 Issue 10 Pages 1457-1463
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000296497400010 Publication Date 2011-05-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.226 Times cited 15 Open Access
  Notes ; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; Approved Most recent IF: 7.226; 2011 IF: 6.827
  Call Number UA @ admin @ c:irua:93363 Serial 5973
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Author Serneels, S.; Faber, K.; Verdonck, T.; van Espen, P.J.
  Title Case specific prediction intervals for tri-PLS1 : the full local linearisation Type A1 Journal article
  Year (up) 2011 Publication Chemometrics and intelligent laboratory systems Abbreviated Journal
  Volume 108 Issue 2 Pages 93-99
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A new method to estimate case specific prediction uncertainty for univariate trilinear partial least squares (tri-PLS1) regression is introduced. This method is, from a theoretical point of view, the most exact finite sample approximation to true prediction uncertainty that has been reported up till now. Using the new method, different error sources can be propagated, which is an advantage that cannot be offered by data driven approaches such as the bootstrap. In a concise example, it is illustrated how the method can be applied. In the Appendix, efficient algorithms are presented to compute the estimates required.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000295310000002 Publication Date 2011-05-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-7439; 1873-3239 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:92788 Serial 7580
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Author Romero-Pastor, J.; Duran, A.; Rodríguez-Navarro, A.B.; Van Grieken, R.; Cardell, C.
  Title Compositional and quantitative microtextural characterization of historic paintings by micro-X-ray diffraction and Raman microscopy Type A1 Journal article
  Year (up) 2011 Publication Analytical chemistry Abbreviated Journal
  Volume 83 Issue 22 Pages 8420-8428
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract This work shows the benefits of characterizing historic paintings via compositional and microtextural data from micro-X-ray diffraction (μ-XRD) combined with molecular information acquired with Raman microscopy (RM) along depth profiles in paint stratigraphies. The novel approach was applied to identify inorganic and organic components from paintings placed at the 14th century Islamic UniversityMadrasah Yusufiyyain Granada (Spain), the only Islamic University still standing from the time of Al-Andalus (Islamic Spain). The use of μ-XRD to obtain quantitative microtextural information of crystalline phases provided by two-dimensional diffraction patterns to recognize pigments nature and manufacture, and decay processes in complex paint cross sections, has not been reported yet. A simple Nasrid (14th century) palette made of gypsum, vermilion, and azurite mixed with glue was identified in polychromed stuccos. Here also a Christian intervention was found via the use of smalt, barite, hematite, Brunswick green and gold; oil was the binding media employed. On mural paintings and wood ceilings, more complex palettes dated to the 19th century were found, made of gypsum, anhydrite, barite, dolomite, calcite, lead white, hematite, minium, synthetic ultramarine blue, and black carbon. The identified binders were glue, egg yolk, and oil.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000296830200011 Publication Date 2011-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x 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:92679 Serial 7715
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