| Records |
| Author |
Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. |
| Title |
ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications |
Type |
A1 Journal article |
Year  |
2010 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
| Volume |
11 |
Issue |
11 |
Pages |
2337-2340 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000281061500008 |
Publication Date |
2010-06-16 |
| 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 |
Esteem 026019 |
Approved |
Most recent IF: 3.075; 2010 IF: 3.340 |
| Call Number |
UA @ lucian @ c:irua:84594 |
Serial |
3935 |
| Permanent link to this record |
| |
|
| |
| Author |
Janssens, K.; Dik, J.; Cotte, M.; Susini, J. |
| Title |
Photon-based techniques for nondestructive subsurface analysis of painted cultural heritage artifacts |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
Accounts Chem Res |
| Volume |
43 |
Issue |
6 |
Pages |
814-825 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Often, just micrometers below a paintings surface lies a wealth of information, both with Old Masters such as Peter Paul Rubens and Rembrandt van Rijn and with more recent artists of great renown such as Vincent Van Gogh and James Ensor. Subsurface layers may include underdrawing, underpainting, and alterations, and in a growing number of cases conservators have discovered abandoned compositions on paintings, illustrating artists practice of reusing a canvas or panel. The standard methods for studying the inner structure of cultural heritage (CH) artifacts are infrared reflectography and X-ray radiography, techniques that are optionally complemented with the microscopic analysis of cross-sectioned samples. These methods have limitations, but recently, a number of fundamentally new approaches for fully imaging the buildup of hidden paint layers and other complex three-dimensional (3D) substructures have been put into practice. In this Account, we discuss these developments and their recent practical application with CH artifacts. We begin with a tabular summary of 14 IR- and X-ray-based imaging methods and then continue with a discussion of each technique, illustrating CH applications with specific case studies. X-ray-based tomographic and laminographic techniques can be used to generate 3D renditions of artifacts of varying dimensions. These methods are proving invaluable for exploring inner structures, identifying the conservation state, and postulating the original manufacturing technology of metallic and other sculptures. In the analysis of paint layers, terahertz time-domain spectroscopy (THz-TDS) can highlight interfaces between layers in a stratigraphic buildup, whereas macrosopic scanning X-ray fluorescence (MA-XRF) has been employed to measure the distribution of pigments within these layers. This combination of innovative methods provides topographic and color information about the micrometer depth scale, allowing us to look into paintings in an entirely new manner. Over the past five years, several new variants of traditional IR- and X-ray-based imaging methods have been implemented by conservators and museums, and the first reports have begun to emerge in the primary research literature. Applying these state-of-the-art techniques in a complementary fashion affords a more comprehensive view of paintings and other artworks. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000278842500013 |
Publication Date |
2010-05-12 |
| 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 |
78 |
Open Access |
|
| Notes |
; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; |
Approved |
Most recent IF: 20.268; 2010 IF: 21.852 |
| Call Number |
UA @ admin @ c:irua:83983 |
Serial |
5772 |
| Permanent link to this record |
| |
|
| |
| Author |
Janssens, K.; de Nolf, W.; van der Snickt, G.; Vincze, L.; Vekemans, B.; Terzano, R.; Brenker, F.E. |
| Title |
Recent trends in quantitative aspects of microscopic X-ray fluorescence analysis |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Trends in analytical chemistry |
Abbreviated Journal |
Trac-Trend Anal Chem |
| Volume |
29 |
Issue |
6 |
Pages |
464-478 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000279235000014 |
Publication Date |
2010-03-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0165-9936 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.442 |
Times cited |
48 |
Open Access |
|
| Notes |
; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; |
Approved |
Most recent IF: 8.442; 2010 IF: 6.602 |
| Call Number |
UA @ admin @ c:irua:83903 |
Serial |
5806 |
| 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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000278842500003 |
Publication Date |
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 |
Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. |
| Title |
Antiferroelectric (Pb,Bi)1-xFe1+xO3-y perovskites modulated by crystallographic shear planes |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
23 |
Issue |
2 |
Pages |
255-265 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000286160800018 |
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 |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
| Call Number |
UA @ lucian @ c:irua:88651 |
Serial |
136 |
| Permanent link to this record |
| |
|
| |
| Author |
Belik, A.A.; Abakumov, A.M.; Tsirlin, A.A.; Hadermann, J.; Kim, J.; Van Tendeloo, G.; Takayama-Muromachi, E. |
| Title |
Article Structure and magnetic properties of BiFe0.75Mn0.25O3 perovskite prepared at ambient and high pressure |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
23 |
Issue |
20 |
Pages |
4505-4514 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Solid solutions of BiFe1xMnxO3 (0.0 ≤ x ≤ 0.4) were prepared at ambient pressure and at 6 GPa. The ambient-pressure (AP) phases crystallize in space group R3c similarly to BiFeO3. The high-pressure (HP) phases crystallize in space group R3c for x = 0.05 and in space group Pnma for 0.15 ≤ x ≤ 0.4. The structure of HP-BiFe0.75Mn0.25O3 was investigated using synchrotron X-ray powder diffraction, electron diffraction, and transmission electron microscopy. HP-BiFe0.75Mn0.25O3 has a PbZrO3-related √2ap × 4ap × 2√2ap (ap is the parameter of the cubic perovskite subcell) superstructure with a = 5.60125(9) Å, b = 15.6610(2) Å, and c = 11.2515(2) Å similar to that of Bi0.82La0.18FeO3. A remarkable feature of this structure is the unconventional octahedral tilt system, with the primary ab0a tilt superimposed on pairwise clockwise and counterclockwise rotations around the b-axis according to the oioi sequence (o stands for out-of-phase tilt, and i stands for in-phase tilt). The (FeMn)O6 octahedra are distorted, with one longer metaloxygen bond (2.222.23 Å) that can be attributed to a compensation for covalent BiO bonding. Such bonding results in the localization of the lone electron pair on Bi3+ cations, as confirmed by electron localization function analysis. The relationship between HP-BiFe0.75Mn0.25O3 and antiferroelectric structures of PbZrO3 and NaNbO3 is discussed. On heating in air, HP-BiFe0.75Mn0.25O3 irreversibly transforms to AP-BiFe0.75Mn0.25O3 starting from about 600 K. Both AP and HP phases undergo an antiferromagnetic ordering at TN ≈ 485 and 520 K, respectively, and develop a weak net magnetic moment at low temperatures. Additionally, ceramic samples of AP-BiFe0.75Mn0.25O3 show a peculiar phenomenon of magnetization reversal. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000295897400015 |
Publication Date |
2011-09-29 |
| 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 |
57 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
| Call Number |
UA @ lucian @ c:irua:93581 |
Serial |
151 |
| Permanent link to this record |
| |
|
| |
| Author |
Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P. |
| Title |
Atomic oxygen functionalization of vertically aligned carbon nanotubes |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
115 |
Issue |
42 |
Pages |
20412-20418 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000296205600009 |
Publication Date |
2011-10-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
31 |
Open Access |
|
| Notes |
Iap |
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
| Call Number |
UA @ lucian @ c:irua:91890 |
Serial |
174 |
| Permanent link to this record |
| |
|
| |
| Author |
Müller, M.; Turner, S.; Lebedev, O.I.; Wang, Y.; Van Tendeloo, G.; Fischer, R.A. |
| Title |
Au@MOF-5 and Au/Mox@MOF-5 (M = Zn, Ti; x = 1, 2) : preparation and microstructural characterisation |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
| Volume |
|
Issue |
12 |
Pages |
1876-1887 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000289644300004 |
Publication Date |
2011-03-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-1948; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.444 |
Times cited |
75 |
Open Access |
|
| Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 2.444; 2011 IF: 3.049 |
| Call Number |
UA @ lucian @ c:irua:88644 |
Serial |
205 |
| Permanent link to this record |
| |
|
| |
| Author |
Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T. |
| Title |
Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
115 |
Issue |
50 |
Pages |
24839-24848 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000297947700050 |
Publication Date |
2011-11-16 |
| 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 |
36 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
| Call Number |
UA @ lucian @ c:irua:94303 |
Serial |
273 |
| Permanent link to this record |
| |
|
| |
| Author |
Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J. |
| Title |
Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| Volume |
2 |
Issue |
2 |
Pages |
261-272 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000286327600010 |
Publication Date |
2010-11-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.668 |
Times cited |
16 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 8.668; 2011 IF: 7.525 |
| Call Number |
UA @ lucian @ c:irua:88652 |
Serial |
300 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
| Title |
Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
133 |
Issue |
43 |
Pages |
17225-17231 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
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Wos |
000297380900026 |
Publication Date |
2011-10-06 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
116 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
| Call Number |
UA @ lucian @ c:irua:92043 |
Serial |
309 |
| Permanent link to this record |
| |
|
| |
| Author |
Sullivan, E.; Hadermann, J.; Greaves, C. |
| Title |
Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
184 |
Issue |
3 |
Pages |
649-654 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0]. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000288587800026 |
Publication Date |
2011-01-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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 |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
| Call Number |
UA @ lucian @ c:irua:89650 |
Serial |
584 |
| Permanent link to this record |
| |
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| |
| Author |
Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Verbeeck, J.; Tian, H.; Tan, H.; Dik, J.; Radepont, 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 : 1 : artificially aged model samples |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
83 |
Issue |
4 |
Pages |
1214-1223 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1−3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr2O3·2H2O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide], is likely. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000287176900011 |
Publication Date |
2011-02-14 |
| 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 |
113 |
Open Access |
|
| Notes |
Iuap; Fwo |
Approved |
Most recent IF: 6.32; 2011 IF: 5.856 |
| Call Number |
UA @ lucian @ c:irua:88794UA @ admin @ c:irua:88794 |
Serial |
632 |
| Permanent link to this record |
| |
|
| |
| Author |
Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
| Title |
Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
| Volume |
4 |
Issue |
6 |
Pages |
757-767 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000292214000009 |
Publication Date |
2011-04-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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 |
24 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
| Call Number |
UA @ lucian @ c:irua:90352 |
Serial |
660 |
| Permanent link to this record |
| |
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| |
| Author |
Hamelet, S.; Casas-Cabanas, M.; Dupont, L.; Davoisne, C.; Tarascon, J.M.; Masquelier, C. |
| Title |
Existence of superstructures due to large amounts of Fe vacancies in the LiFePO4-type framework |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
23 |
Issue |
1 |
Pages |
32-38 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
LiFePO4 has been under intense scrutiny over the past decade because it stands as an attractive positive electrode material for the next generation of Li-ion batteries to power electric vehicles and hybrid electric vehicles, hence the importance of its thermal behavior. The reactivity of LiFePO4 with air at moderate temperatures is shown to be dependent on its particle size. For nanosized materials, a progressive displacement of Fe from the core structure leading to a composite made of nanosize Fe2O3 and highly defective, oxidized LixFeyPO4 compositions, among which the “ideal” formula LiFe2/3PO4. Herein we report, from both temperature-controlled X-ray diffraction and electronic diffraction microscopy, that these off-stoichiometry olivine-type compounds show a defect ordering resulting in the formation of a superstructure. Such a finding shows striking similarities with the temperature-driven oxidation of fayalite Fe2SiO4 (another olivine) to structurally defective laihunite, reported in the literature three decades ago. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
|
Wos |
000285726900007 |
Publication Date |
2010-12-14 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
30 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
| Call Number |
UA @ lucian @ c:irua:105605 |
Serial |
1130 |
| Permanent link to this record |
| |
|
| |
| Author |
Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V. |
| Title |
Extension of the clathrate family : the type X clathrate Ge79P29S18Te6 |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
50 |
Issue |
10 |
Pages |
2371-2374 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow). |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000288036300033 |
Publication Date |
2011-01-31 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
23 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 11.994; 2011 IF: 13.455 |
| Call Number |
UA @ lucian @ c:irua:88793 |
Serial |
1158 |
| Permanent link to this record |
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| |
| Author |
Gasparotto, A.; Barreca, D.; Bekermann, D.; Devi, A.; Fischer, R.A.; Fornasiero, P.; Gombac, V.; Lebedev, O.I.; Maccato, C.; Montini, T.; Van Tendeloo, G.; Tondello, E. |
| Title |
F-doped Co3O4 photocatalysts for sustainable H2 generation from water/ethanol |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
133 |
Issue |
48 |
Pages |
19362-19365 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
p-Type Co3O4 nanostructured films are synthesized by a plasma-assisted process and tested in the photocatalytic production of H2 from water/ethanol solutions under both near-UV and solar irradiation. It is demonstrated that the introduction of fluorine into p-type Co3O4 results in a remarkable performance improvement with respect to the corresponding undoped oxide, highlighting F-doped Co3O4 films as highly promising systems for hydrogen generation. Notably, the obtained yields were among the best ever reported for similar semiconductor-based photocatalytic processes. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000297606500027 |
Publication Date |
2011-11-04 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
114 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
| Call Number |
UA @ lucian @ c:irua:93628 |
Serial |
1164 |
| Permanent link to this record |
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| |
| Author |
Navulla, A.; Tsirlin, A.A.; Abakumov, A.M.; Shpanchenko, R.V.; Zhang, H.; Dikarev, E.V. |
| Title |
Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
133 |
Issue |
4 |
Pages |
692-694 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000287295300015 |
Publication Date |
2010-12-21 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
| Call Number |
UA @ lucian @ c:irua:88820 |
Serial |
1236 |
| Permanent link to this record |
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| |
| Author |
Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A. |
| Title |
GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
133 |
Issue |
41 |
Pages |
16370-16373 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000295997500014 |
Publication Date |
2011-09-13 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
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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 |
82 |
Open Access |
|
| Notes |
Hercules |
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
| Call Number |
UA @ lucian @ c:irua:93582 |
Serial |
1315 |
| Permanent link to this record |
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| |
| Author |
King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V. |
| Title |
The high-temperature polymorphs of K3AlF6 |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
50 |
Issue |
16 |
Pages |
7792-7801 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Easton, Pa |
Editor |
|
| Language |
|
Wos |
000293493100052 |
Publication Date |
2011-07-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.857 |
Times cited |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
| Call Number |
UA @ lucian @ c:irua:91131 |
Serial |
1468 |
| Permanent link to this record |
| |
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| |
| Author |
Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V. |
| Title |
HRTEM and neutron diffraction study of LixMo5O17 : from the ribbon (x=5) structure to the rock salt (x=12) structure |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
184 |
Issue |
4 |
Pages |
790-796 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Structure determination of the fully intercalated phase Li12Mo5O17 and of the deintercalated oxide Li5Mo5O17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li4Mo5O17) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the LixMo5O17 system is based on two sorts of Li+ sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000289597100010 |
Publication Date |
2011-02-12 |
| 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 |
1 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
| Call Number |
UA @ lucian @ c:irua:88646 |
Serial |
1515 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T. |
| Title |
Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
115 |
Issue |
15 |
Pages |
4818-4823 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Using reactive molecular dynamics simulations, we have investigated the effect of single-impact, low-energy (thermal-100 eV) bombardment of a Si(100){2 × 1} surface by atomic and molecular oxygen. Penetration probability distributions, as well as defect formation distributions, are presented as a function of the impact energy for both species. It is found that at low impact energy, defects are created chemically due to the chemisorption process in the top layers of the surface, while at high impact energy, additional defects are created by a knock-on displacement of Si. These results are of particular importance for understanding device performances of silica-based microelectronic and photovoltaic devices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000288401200060 |
Publication Date |
2011-03-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| 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 |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
| Call Number |
UA @ lucian @ c:irua:89858 |
Serial |
1543 |
| Permanent link to this record |
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| |
| Author |
He, Z.; Maurice, J.-L.; Gohier, A.; Lee, C.S.; Pribat, D.; Cojocaru, C.S. |
| Title |
Iron catalysts for the growth of carbon nanofibers : Fe, Fe3C or both? |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
23 |
Issue |
24 |
Pages |
5379-5387 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Iron is a widely used catalyst for the growth of carbon nanotubes (CNTs) or carbon nanofibers (CNFs) by catalytic chemical vapor deposition. However, both Fe and FeC compounds (generally, Fe3C) have been found to catalyze the growth of CNTs/CNFs, and a comparison study of their respective catalytic activities is still missing. Furthermore, the control of the crystal structure of iron-based catalysts, that is α-Fe or Fe3C, is still a challenge, which not only obscures our understanding of the growth mechanisms of CNTs/CNFs, but also complicates subsequent procedures, such as the removal of catalysts for better industrial applications. Here, we show a partial control of the phase of iron catalysts (α-Fe or Fe3C), obtained by varying the growth temperatures during the synthesis of carbon-based nanofibers/nanotubes in a plasma-enhanced chemical vapor deposition reactor. We also show that the structure of CNFs originating from Fe3C is bamboo-type, while that of CNFs originating from Fe is not. Moreover, we directly compare the growth rates of carbon-based nanofibers/nanotubes during the same experiments and find that CNFs/CNTs grown by α-Fe nanoparticles are longer than CNFs grown from Fe3C nanoparticles. The influence of the type of catalyst on the growth of CNFs is analyzed and the corresponding possible growth mechanisms, based on the different phases of the catalysts, are discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000298197300014 |
Publication Date |
2011-11-10 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
91 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
| Call Number |
UA @ lucian @ c:irua:94297 |
Serial |
1748 |
| Permanent link to this record |
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| |
| Author |
Batuk, D.; Hadermann, J.; Abakumov, A.; Vranken, T.; Hardy, A.; van Bael, M.; Van Tendeloo, G. |
| Title |
Layered perovskite-like Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of crystallographic shear planes |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
50 |
Issue |
11 |
Pages |
4978-4986 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The Pb2Fe2O5 compound with a layered intergrowth structure has been prepared by a solid-state reaction at 700 °C. The incommensurate compound crystallizes in a tetragonal system with a = 3.9037(2) Å, c = 3.9996(4) Å, and q = 0.1186(4)c*, or when treated as a commensurate approximant, a = 3.9047(2) Å, c = 36.000(3) Å, space group I4/mmm. The crystal structure of Pb2Fe2O5 was resolved from transmission electron microscopy data. Atomic coordinates and occupancies of the cation positions were estimated from high-angle annular dark-field scanning transmission electron microscopy data. Direct visualization of the positions of the oxygen atoms was possible using annular bright-field scanning transmission electron microscopy. The structure can be represented as an intergrowth of perovskite blocks and partially disordered blocks with a structure similar to that of the Bi2O2 blocks in Aurivillius-type phases. The A-cation positions at the border of the perovskite block and the cation positions in the Aurivillius-type blocks are jointly occupied by Pb2+ and Fe3+ cations, resulting in a layer sequence along the c axis: PbOFeO2PbOFeO2Pb7/8Fe1/8O1xFe5/8Pb3/8O2Fe5/8Pb3/8. Upon heating, the layered Pb2Fe2O5 structure transforms into an anion-deficient perovskite modulated by periodically spaced crystallographic shear (CS) planes. Considering the layered Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of CS planes allows an explanation of the specific microstructure observed for the CS structures in the PbFeO system. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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| Language |
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Wos |
000290978400038 |
Publication Date |
2011-04-29 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
16 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
| Call Number |
UA @ lucian @ c:irua:90141 |
Serial |
1809 |
| Permanent link to this record |
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| Author |
Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K. |
| Title |
Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
115 |
Issue |
35 |
Pages |
17523-17532 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
|
Wos |
000294386000037 |
Publication Date |
2011-08-01 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
| Call Number |
UA @ lucian @ c:irua:91714 |
Serial |
1980 |
| Permanent link to this record |
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| Author |
Dixon, E.; Hadermann, J.; Ramos, S.; Goodwin, A.L.; Hayward, M.A. |
| Title |
Mn(I) in an extended oxide : the synthesis and characterization of La1-xCaxMnO2+\delta (0.6\leq x\leq1) |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| Volume |
133 |
Issue |
45 |
Pages |
18397-18405 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Reduction of La1xCaxMnO3 (0.6 ≤ x ≤ 1) perovskite phases with sodium hydride yields materials of composition La1xCaxMnO2+δ. The calcium-rich phases (x = 0.9, 1) adopt (La0.9Ca0.1)0.5Mn0.5O disordered rocksalt structures. However local structure analysis using reverse Monte Carlo refinement of models against pair distribution functions obtained from neutron total scattering data reveals lanthanum-rich La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases adopt disordered structures consisting of an intergrowth of sheets of MnO6 octahedra and sheets of MnO4 tetrahedra. X-ray absorption data confirm the presence of Mn(I) centers in La1xCaxMnO2+δ phases with x < 1. Low-temperature neutron diffraction data reveal La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases become antiferromagnetically ordered at low temperature. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000297381200065 |
Publication Date |
2011-10-14 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.858 |
Times cited |
33 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
| Call Number |
UA @ lucian @ c:irua:94030 |
Serial |
2094 |
| Permanent link to this record |
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| Author |
Aerts, A.; Follens, L.R.A.; Biermans, E.; Bals, S.; Van Tendeloo, G.; Loppinet, B.; Kirschhock, C.E.A.; Martens, J.A. |
| Title |
Modelling of synchrotron SAXS patterns of silicalite-1 zeolite during crystallization |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
13 |
Issue |
10 |
Pages |
4318-4325 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Synchrotron small angle X-ray scattering (SAXS) was used to characterize silicalite-1 zeolite crystallization from TEOS/TPAOH/water clear sol. SAXS patterns were recorded over a broad range of length scales, enabling the simultaneous monitoring of nanoparticles and crystals occurring at various stages of the synthesis. A simple two-population model accurately described the patterns. Nanoparticles were modeled by polydisperse coreshell spheres and crystals by monodisperse oblate ellipsoids. These models were consistent with TEM images. The SAXS results, in conjunction with in situ light scattering, showed that nucleation of crystals occurred in a short period of time. Crystals were uniform in size and shape and became increasingly anisotropic during growth. In the presence of nanoparticles, crystal growth was fast. During crystal growth, the number of nanoparticles decreased gradually but their size was constant. These observations suggested that the nanoparticles were growth units in an aggregative crystal growth mechanism. Crystals grown in the presence of nanoparticles developed a faceted habit and intergrowths. In the final stages of growth, nanoparticles were depleted. Concurrently, the crystal growth rate decreased significantly. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Cambridge |
Editor |
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| Language |
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Wos |
000287584700017 |
Publication Date |
2011-01-24 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
22 |
Open Access |
|
| Notes |
Fwo; Iap; Esteem 026019 |
Approved |
Most recent IF: 4.123; 2011 IF: 3.573 |
| Call Number |
UA @ lucian @ c:irua:87602 |
Serial |
2155 |
| Permanent link to this record |
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| Author |
Chen, L.-H.; Li, X.-Y.; Tian, G.; Li, Y.; Tan, H.-Y.; Van Tendeloo, G.; Zhu, G.-S.; Qiu, S.-L.; Yang, X.-Y.; Su, B.-L. |
| Title |
Multimodal zeolite-beta-based catalysts with a hierarchical, three-level pore structure |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
| Volume |
4 |
Issue |
10 |
Pages |
1452-1456 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Hole diggers: The hierarchically structured porous solid-acid catalyst described in this report possess a remarkable pore system, encompassing well-defined macrochannels, interconnected mesopores, intracrystalline mesopores, and tunable zeolite micropores. Importantly, the catalyst exhibits very strong acidity and superior catalytic activity for esterification reactions. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000296497400009 |
Publication Date |
2011-08-16 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
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| ISSN |
1864-5631; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.226 |
Times cited |
33 |
Open Access |
|
| Notes |
Iap |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
| Call Number |
UA @ lucian @ c:irua:93675 |
Serial |
2223 |
| Permanent link to this record |
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| Author |
Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G. |
| Title |
New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of fluorine chemistry |
Abbreviated Journal |
J Fluorine Chem |
| Volume |
132 |
Issue |
12 |
Pages |
1110-1116 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lausanne |
Editor |
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| Language |
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Wos |
000296936300011 |
Publication Date |
2011-07-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
0022-1139; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.101 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.101; 2011 IF: 2.033 |
| Call Number |
UA @ lucian @ c:irua:93687 |
Serial |
2305 |
| Permanent link to this record |
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| Author |
Vernimmen, J.; Meynen, V.; Herregods, S.J.F.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P. |
| Title |
New insights in the formation of combined zeolitic/mesoporous materials by using a one-pot templating synthesis |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
| Volume |
|
Issue |
27 |
Pages |
4234-4240 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| Abstract |
Zeolitic growth is often absent or occurs in separate phases when synthetic strategies based on the combination of zeolite templates and mesopore templating agents are applied. In this work, zeolitic growth and mesopore formation have been investigated at different temperatures by applying a one-pot templating approach, based on a TS-1 zeolite synthesis whereby part of the microtemplate (tetrapropylammonium hydroxide, TPAOH) is replaced by a mesotemplate (hexadecyltrimethylammonium bromide, CTMABr). Moreover, the synthesis duration and the molar ratio of the microtemplate/mesotemplate have also been studied. The different syntheses clearly show the inherent competitive mechanism between zeolitic growth and mesopore formation. These insights have led to the conclusion that by following a one-pot templating strategy with standard, nonexotic commercial templates, i.e. CTMABr and TPAOH, it is not possible to develop a true hierarchical mesoporous zeolite, meaning a mesoporous siliceous material with highly crystalline zeolitic walls. The resultant materials are instead combined zeolitic/mesoporous composite structures with, however, highly tuneable and controllable porosity characteristics. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
|
Wos |
000296143500014 |
Publication Date |
2011-08-17 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-1948; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.444 |
Times cited |
7 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 2.444; 2011 IF: 3.049 |
| Call Number |
UA @ lucian @ c:irua:91574 |
Serial |
2315 |
| Permanent link to this record |
