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Records |
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Author |
Lobato, I.; Partoens, B. |
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Title |
Multiple Dirac particles in AA-stacked graphite and multilayers of graphene |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
16 |
Pages |
165429-165429,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000290113900005 |
Publication Date  |
2011-04-21 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
68 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:89717 |
Serial |
2225 |
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Author |
Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. |
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Title |
Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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Volume |
21 |
Issue |
31 |
Pages |
11556-11565 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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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 |
000293190200018 |
Publication Date |
2011-04-21 |
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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 |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
44 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:91945 |
Serial |
3632 |
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Author |
Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Lebedev, O.I.; Parfenova, A.; Turner, S.; Tondello, E.; Van Tendeloo, G. |
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Title |
Tailored vapor-phase growth of CuxO-TiO2(x=1,2) nanomaterials decorated with Au particles |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
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Volume |
27 |
Issue |
10 |
Pages |
6409-6417 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report on the fabrication of CuxOTiO2 (x = 1, 2) nanomaterials by an unprecedented vapor-phase approach. The adopted strategy involves the growth of porous CuxO matrices by means of chemical vapor deposition (CVD), followed by the controlled dispersion of TiO2 nanoparticles. The syntheses are performed on Si(100) substrates at temperatures of 400550 °C under wet oxygen atmospheres, adopting Cu(hfa)2·TMEDA (hfa =1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) and Ti(O-iPr)2(dpm)2 (O-iPr = isopropoxy; dpm = 2,2,6,6-tetramethyl-3,5-heptanedionate) as copper and titanium precursors, respectively. Subsequently, finely dispersed gold nanoparticles are introduced in the as-prepared systems via radio frequency (RF)-sputtering under mild conditions. The synthesis process results in the formation of systems with chemical composition and nano-organization strongly dependent on the nature of the initial CuxO matrix and on the deposited TiO2 amount. The decoration with low-size gold clusters paves the way to the engineering of hierarchically organized nanomaterials. |
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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 |
000290292900082 |
Publication Date |
2011-04-25 |
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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 |
0743-7463;1520-5827; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.833 |
Times cited |
36 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 3.833; 2011 IF: 4.186 |
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Call Number |
UA @ lucian @ c:irua:88940 |
Serial |
3467 |
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Author |
Shenderova, O.; Koscheev, A.; Zaripov, N.; Petrov, I.; Skryabin, Y.; Detkov, P.; Turner, S.; Van Tendeloo, G. |
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Title |
Surface chemistry and properties of ozone-purified detonation nanodiamonds |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
115 |
Issue |
20 |
Pages |
9827-9837 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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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 |
000290652200001 |
Publication Date |
2011-04-28 |
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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 |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
105 |
Open Access |
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Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
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Call Number |
UA @ lucian @ c:irua:89556 |
Serial |
3394 |
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Author |
Apolinario, S.W.S.; Peeters, F.M. |
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Title |
Binary dusty plasma Coulomb balls |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
83 |
Issue |
4 |
Pages |
041136,1-041136,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigated the mixing and segregation of a system consisting of two different species of particles, having different charges, interacting through a pure Coulomb potential, and confined in a three-dimensional parabolic trap. The structure of the cluster and its normal mode spectrum are analyzed as a function of the relative charge and the relative number of different types of particles. We found that (a) the system can be in a mixed or segregated state depending on the relative charge ratio parameter and (b) the segregation process is mediated by a first or second order structural phase transition which strongly influences the magic cluster properties of the system. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000290154900004 |
Publication Date |
2011-04-29 |
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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 |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.366; 2011 IF: 2.255 |
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Call Number |
UA @ lucian @ c:irua:89716 |
Serial |
236 |
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Author |
Batuk, D.; Hadermann, J.; Abakumov, A.; Vranken, T.; Hardy, A.; van Bael, M.; Van Tendeloo, G. |
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Title |
Layered perovskite-like Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of crystallographic shear planes |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
50 |
Issue |
11 |
Pages |
4978-4986 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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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 |
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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 |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
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Call Number |
UA @ lucian @ c:irua:90141 |
Serial |
1809 |
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Author |
Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. |
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Title |
Optimized fabrication of high-quality La0.67Sr0.33MnO3 thin films considering all essential characteristics |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
44 |
Issue |
20 |
Pages |
205001-205001,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in devices. |
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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 |
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Language |
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Wos |
000290150900001 |
Publication Date |
2011-04-29 |
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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 |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
99 |
Open Access |
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Notes |
This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. |
Approved |
Most recent IF: 2.588; 2011 IF: 2.544 |
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Call Number |
UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557 |
Serial |
2491 |
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Author |
Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K. |
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Title |
Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
106 |
Issue |
17 |
Pages |
176802,1-176802,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000290100300016 |
Publication Date |
2011-04-29 |
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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 |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
235 |
Open Access |
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Notes |
; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
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Call Number |
UA @ lucian @ c:irua:89715 |
Serial |
3832 |
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Author |
Khalil-Allafi, J.; Amin-Ahmadi, B. |
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Title |
Effect of mold hardness on microstructure and contraction porosity in ductile cast iron |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of iron and steel research international |
Abbreviated Journal |
J Iron Steel Res Int |
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Volume |
18 |
Issue |
4 |
Pages |
44-47 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of mold hardness on the microstructure of ductile iron and the contraction porosity was investigated. Molds with different hardnesses (0.41, 0.48, 0.55, 0.62 MPa) and a sand mold prepared by Co2 method were used. The influence of silicon content on the induced expansion pressure owing to the formation of graphite was also investigated. The contraction during solidification can be compensated by an induced expansion owing to the graphite relief when the hardness of mold increases; therefore, the possibility of achieving a sound product without using any riser increases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2011-05-01 |
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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 |
1006-706X; |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
0.836 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.836; 2011 IF: 0.213 |
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Call Number |
UA @ lucian @ c:irua:122044 |
Serial |
823 |
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Author |
Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F. |
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Title |
Impact of spin-orbit coupling on the Holstein polaron |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
19 |
Pages |
195104-195104,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000290162500001 |
Publication Date |
2011-05-03 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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Notes |
; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:89718 |
Serial |
1561 |
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Author |
Wang, A.; Chen, F.R.; Van Aert, S.; van Dyck, D. |
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Title |
A method to determine the local surface profile from reconstructed exit waves |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
111 |
Issue |
8 |
Pages |
1352-1359 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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| |
Abstract |
Reconstructed exit waves are useful to quantify unknown structure parameters such as the position and composition of the atom columns at atomic scale. Existing techniques provide a complex wave in a flat plane which is close to the plane where the electrons leave the atom columns. However, due to local deviation in the flatness of the exit surface, there will be an offset between the plane of reconstruction and the actual exit of a specific atom column. Using the channelling theory, it has been shown that this defocus offset can in principle be determined atom column-by-atom column. As such, the surface roughness could be quantified at atomic scale. However, the outcome strongly depends on the initial plane of reconstruction especially in a crystalline structure. If this plane is further away from the true exit, the waves of the atom columns become delocalized and interfere mutually which strongly complicates the interpretation of the exit wave in terms of the local structure. In this paper, we will study the delocalization with defocus using the channelling theory in a more systematic way. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000300461100049 |
Publication Date |
2011-05-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2011 IF: 2.471 |
|
| |
Call Number |
UA @ lucian @ c:irua:88941 |
Serial |
2017 |
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| Permanent link to this record |
| |
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| |
|
Author |
Meulebroeck, W.; Cosyns, P.; Baert, K.; Wouters, H.; Cagno, S.; Janssens, K.; Terryn, H.; Nys, K.; Thienpont, H. |
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| |
Title |
Optical spectroscopy as a rapid and low-cost tool for the first-line analysis of glass artefacts : a step-by-step plan for Roman green glass |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of archaeological science |
Abbreviated Journal |
J Archaeol Sci |
|
| |
Volume |
38 |
Issue |
9 |
Pages |
2387-2398 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Archaeometric research on glass artefacts is continuously evolving and is converging towards a multidisciplinary research domain where different types of techniques are applied depending on the questions asked and the circumstances involved. The technique described in this work is optical spectroscopy. The benefit of this technique being the possibility of building up a knowledge database for a large amount of material in a relatively short period of time and with a relatively limited budget. This is of particular interest for the investigation of extensive and/or unexplored glass collections where a first-line analysis of artefacts could facilitate the selection of material needing further and more detailed examination. This publication explores the extent to which optical spectroscopy can be used for a first-line analysis of green coloured glass artefacts from the Roman period. It is shown that the colour coordinates calculated from the measured transmission spectrum could reveal information about the fragment under study. In particular it is shown that 1) based on the position of the calculated colour values on the colour diagram (CIE1931) one could easily know whether the artefact was coloured using only iron or if copper oxides were also present. In the case of the artefact owing its colour solely to the presence of iron, the distance between the measured colour values and the colour diagrams white point can roughly indicate the iron concentration of the sample; 2) artefacts that were fabricated under similar furnace conditions can also be identified on the colour diagram; 3) samples with identical compositions and fabrication conditions but with different sample thickness, gave rise to a variation in the colour coordinates, thus allowing optical spectroscopy to help identify fragments which might belong to the same object. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000293551200037 |
Publication Date |
2011-05-12 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0305-4403 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.602 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
; The authors would like to express their gratitude to the Vrije Universiteit Brussel for funding this research in the framework of HOA15, a “Horizontal Research Action” which encourages collaboration between research groups from different departments within the same University having expertise in specific research disciplines and also to the OZR-project 1247 BOF. The authors are also very grateful to the following persons for having permitted the study of their material: Rica Annaert and Sofie Vanhoutte of the “Vlaams lnstituut voor Onroerend Erfgoed (VIOE): Grobbendonk, Matagne-la-Petite, Oudenburg; Jean-Louis Antoine of the Musee Archeologique Namur: Nismes; Tom Debruyne of the ”Erfgoedcel“ Tienen: Tienen: Marc Rogge and Kurt Braeckman of the ”Provinciaal Archeologisch Museum (PAM)": Kruishoutem, Velzeke; Walter Sevenants: Rumst and Anne de Pyre-Gysel from the Musee Romain d'Avenches: Avenches. ; |
Approved |
Most recent IF: 2.602; 2011 IF: 1.914 |
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| |
Call Number |
UA @ admin @ c:irua:92389 |
Serial |
5756 |
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| Permanent link to this record |
| |
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| |
|
Author |
Serneels, S.; Faber, K.; Verdonck, T.; van Espen, P.J. |
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| |
Title |
Case specific prediction intervals for tri-PLS1 : the full local linearisation |
Type |
A1 Journal article |
| |
Year |
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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000295310000002 |
Publication Date |
2011-05-12 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0169-7439; 1873-3239 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:92788 |
Serial |
7580 |
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| Permanent link to this record |
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| |
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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| |
Title |
Structural and vibrational properties of amorphous GeO2 from first-principles |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
98 |
Issue |
20 |
Pages |
202110,1-202110,3 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000290812100038 |
Publication Date |
2011-05-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
226 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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| |
Call Number |
UA @ lucian @ c:irua:90222 |
Serial |
3202 |
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| Permanent link to this record |
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| |
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Author |
Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M. |
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| |
Title |
Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
510 |
Issue |
1/3 |
Pages |
14-17 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000291478400002 |
Publication Date |
2011-05-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
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 |
|
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| |
Notes |
|
Approved |
Most recent IF: 1.815; 2011 IF: 2.337 |
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| |
Call Number |
UA @ lucian @ c:irua:90453 |
Serial |
3625 |
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| Permanent link to this record |
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| |
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Author |
Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A. |
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Title |
A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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| |
Volume |
4 |
Issue |
10 |
Pages |
1457-1463 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000296497400010 |
Publication Date |
2011-05-20 |
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| |
Series Editor |
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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 |
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 |
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| |
Call Number |
UA @ admin @ c:irua:93363 |
Serial |
5973 |
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| Permanent link to this record |
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Author |
Van Grieken, R.; Worobiec, A. |
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| |
Title |
X-ray spectrometry for preventive conservation of cultural heritage |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Pramåna: a journal of physics |
Abbreviated Journal |
|
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| |
Volume |
72 |
Issue |
2 |
Pages |
191-200 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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| |
Abstract |
Analytical chemistry does play a key role in the chemical characterization of the environment and it appears that X-ray spectrometry, in its many forms, is one of the most relevant analytical techniques in preventive conservation, as it is in cultural heritage research in general. X-ray spectrometry has indeed been the method of choice for the characterization of the inorganic composition of atmospheric aerosols, for a long time. We have, over the last decade, intensively used various forms of X-ray spectrometry, viz., mostly energy-dispersive X-ray fluorescence, e.g. with polarized high-energy beam excitation, and automated electron probe X-ray microanalysis, together with other techniques, to identify particle types and their sources in indoor environments, including museums, while gaseous indoor pollutants were assessed using passive diffusion samplers. In each case, both bulk aerosols and individual aerosol particles were studied. For microanalysis of single particles, we have investigated a dozen techniques, but for wide, real-life applications, automated electron probe X-ray microanalysis is the most rewarding. We have first studied atmospheric aerosols in and around the Correr Museum in Venice, many other museums in Austria, Japan and England, and in the caves with prehistoric rock paintings in Altamira, Spain. Very recently, measurements were done in the Metropolitan Museum of Art in New York and theWawel Castle in Cracow, in Italian and Polish mountain churches, in a number of museums in Belgium and the Netherlands, and in cathedrals with medieval stained glass windows. In the Correr museum, it appeared that the particles most threatening for the Bellini paintings were released by the deteriorating plaster renderings, and this could be avoided by simply improving the rendering on the museum walls. In the Wawel Castle, outdoor pollution particles, like fine soot from diesel traffic, entering via leaks in the windows and doors, and also street-deicing salts and coal burning pollution particles, brought in by visitors, mostly in winter, were found to be most worrisome. Urgent questions that are not solved at this moment pertain to the deposition processes from the atmosphere to the cultural heritage items, the critical surface interactions that take place on these items, and the establishment of suitable particle concentration standards. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000288861000002 |
Publication Date |
2011-05-20 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0304-4289; 0973-7111 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:87025 |
Serial |
8785 |
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| Permanent link to this record |
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Author |
Afanasov, I.M.; Van Tendeloo, G. |
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| |
Title |
Zirconia-modified exfoliated graphite |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Inorganic materials |
Abbreviated Journal |
Inorg Mater+ |
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| |
Volume |
47 |
Issue |
6 |
Pages |
603-608 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000291698100008 |
Publication Date |
2011-05-24 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0020-1685;1608-3172; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
0.62 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 0.62; 2011 IF: 0.414 |
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| |
Call Number |
UA @ lucian @ c:irua:90447 |
Serial |
3933 |
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| Permanent link to this record |
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Author |
Parente, A.; Gorlé, C.; van Beeck, J.; Benocci, C. |
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Title |
A comprehensive modelling approach for the neutral atmospheric boundary layer : consistent inflow conditions, wall function and turbulence model |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Boundary-layer meteorology |
Abbreviated Journal |
Bound-Lay Meteorol |
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| |
Volume |
140 |
Issue |
3 |
Pages |
411-428 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We report on a novel approach for the Reynolds-averaged Navier-Stokes (RANS) modelling of the neutral atmospheric boundary layer (ABL), using the standard k− turbulence model. A new inlet condition for turbulent kinetic energy is analytically derived from the solution of the k− model transport equations, resulting in a consistent set of fully developed inlet conditions for the neutral ABL. A modification of the standard k− model is also employed to ensure consistency between the inlet conditions and the turbulence model. In particular, the turbulence model constant C μ is generalized as a location-dependent parameter, and a source term is introduced in the transport equation for the turbulent dissipation rate. The application of the proposed methodology to cases involving obstacles in the flow is made possible through the implementation of an algorithm, which automatically switches the turbulence model formulation when going from the region where the ABL is undisturbed to the region directly affected by the building. Finally, the model is completed with a slightly modified version of the Richards and Hoxey rough-wall boundary condition. The methodology is implemented and tested in the commercial code Ansys Fluent 12.1. Results are presented for a neutral boundary layer over flat terrain and for the flow around a single building immersed in an ABL. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Dordrecht |
Editor |
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| |
Language |
|
Wos |
000293923800004 |
Publication Date |
2011-05-25 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0006-8314;1573-1472; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.573 |
Times cited |
54 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 2.573; 2011 IF: 1.737 |
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| |
Call Number |
UA @ lucian @ c:irua:92341 |
Serial |
450 |
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| Permanent link to this record |
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Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
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| |
Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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| |
Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
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. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
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| |
Language |
|
Wos |
000292718500032 |
Publication Date |
2011-05-26 |
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| |
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 |
8 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
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| |
Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
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| Permanent link to this record |
| |
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| |
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Author |
Jochems, P.; Satyawali, Y.; Diels, L.; Dejonghe, W. |
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| |
Title |
Enzyme immobilization on/in polymeric membranes : status, challenges and perspectives in biocatalytic membrane reactors (BMRs) |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
|
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| |
Volume |
13 |
Issue |
7 |
Pages |
1609-1623 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Immobilization of enzymes is beneficial in terms of improving the process economics by enabling enzyme re-use and enhancing overall productivity and robustness. Increasingly, membranes are thought to be good supports for enzyme immobilization. These resulting biocatalytic membranes are integrated in reactors known as biocatalytic membrane reactors (BMRs) which enable the integration of biocatalysis and separation. Often the available commercial membranes require modifications to make them suitable for enzyme immobilization. Different immobilization techniques can be used on such suitable membranes, but no general rules exist for making a choice between them. Despite the advantages of BMR application, there are some issues which need to be addressed in order to achieve up-scaling of such systems. In this review, the different aspects of enzyme immobilization on membranes are discussed to show the complexity of this interdisciplinary technology. In addition, the existing issues which require further investigation are highlighted. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000292450600002 |
Publication Date |
2011-05-26 |
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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 |
1463-9262; 1463-9270 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:89567 |
Serial |
7930 |
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| Permanent link to this record |
| |
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| |
|
Author |
György, K.; Ajtony, Z.; van Meel, K.; Van Grieken, R.; Czitrovszky, A.; Bencs, L. |
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| |
Title |
Fast heating induced impulse halogenation of refractory sample components in electrothermal atomic absorption spectrometry by direct injection of a liquid halogenating agent |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
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|
| |
Volume |
85 |
Issue |
3 |
Pages |
1253-1259 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
A novel electrothermal atomic absorption spectrometry (ETAAS) method was developed for the halogenation of refractory sample components (Er, Nd and Nb) of lithium niobate (LiNbO3) and bismuth tellurite (Bi2TeO5) optical single crystals to overcome memory effects and carry-over. For this purpose, the cleaning step of a regular graphite furnace heating program was replaced with a halogenation cycle. In this cycle, after the graphite tube cooled to room temperature, a 20 μL aliquot of liquid carbon tetrachloride (CCl4) was dispensed with a conventional autosampler into the graphite tube. The CCl4 was partially dried at 80 °C under the mini-flow (40 cm3 min−1) condition of the Ar internal furnace gas (IFG), then the residue was decomposed (pyrolyzed) by fast furnace heating at 19002100 °C under interrupted flow of the IFG. This step was followed by a clean-out stage at 2100 °C under the maximum flow of the IFG. The advantage of the present method is that it does not require any alteration to the graphite furnace gas supply system in contrast to most of the formerly introduced halogenation techniques. The effectiveness of the halogenation method was verified with the determination of Er and Nd dopants in the optical crystals. In these analyses, a sensitivity decrease was observed, which was likely due to the enhanced deterioration of the graphite tube surface. Therefore, the application of mathematical correction (resloping) of the calibration was also required. The calibration curves were linear up to 1.5 and 10 μmol L−1 for Er and Nd, respectively. Characteristic masses of 18 and 241 pg and the limit of detection (LOD) values of 0.017 and 0.27 μmol L−1 were found for Er and Nd, respectively. These LOD data correspond to 0.68 μmol mol−1 Er and 11 μmol mol−1 Nd in solid bismuth tellurite samples. The analytical results were compared with those obtained by a conventional ETAAS method and validated with X-ray fluorescence spectrometry analysis. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000294092800006 |
Publication Date |
2011-05-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:91721 |
Serial |
7960 |
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| Permanent link to this record |
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Author |
Esquivel, M.R.; Zelaya, E. |
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Title |
Synthesis and characterisation of lanthanide-based dioxide |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Advances in applied ceramics |
Abbreviated Journal |
Adv Appl Ceram |
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| |
Volume |
110 |
Issue |
4 |
Pages |
219-224 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
In the present work, the microstructure and structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3) and La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2) is obtained from transmission electron microscopy and X-ray diffraction measurements. Space group P6(3)/m is assigned to the structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3). Lanthanides are assigned to Wyckoff positions 2c. Cell parameters are a=6.375(5) angstrom and c=3.753(5) angstrom. The thermal decomposition of this compound was studied by differential scanning calorimetry. The process is exothermal with an enthalpy change Delta H degrees value of -254 +/- 10 kJ mol(-1). The decomposition kinetics is complex and two global processes with E(a) values of 98 +/- 4 and 61 +/- 2 kJ mol 21 were observed. The product is a lanthanide dioxide. Space group Fm3m is assigned to the La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2). Lanthanides are distributed in Wyckoff positions 4a. The cell parameter is a=5.479(5) angstrom. Nanopores in the oxide surface are obtained using this method and characterised by STEM measurements. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Leeds |
Editor |
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| |
Language |
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Wos |
000291206700006 |
Publication Date |
2011-05-30 |
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| |
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 |
|
Edition |
|
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| |
ISSN |
1743-6753;1743-6761; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.325 |
Times cited |
3 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 1.325; 2011 IF: 0.871 |
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| |
Call Number |
UA @ lucian @ c:irua:105588 |
Serial |
3410 |
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| Permanent link to this record |
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Author |
Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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Title |
Electronic properties of hydrogenated silicene and germanene |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
98 |
Issue |
22 |
Pages |
223107 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000291405700057 |
Publication Date |
2011-06-03 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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Call Number |
UA @ lucian @ c:irua:105586 |
Serial |
1003 |
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| Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. |
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Title |
Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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| |
Volume |
13 |
Issue |
6 |
Pages |
063002-063002,11 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000292137500002 |
Publication Date |
2011-06-03 |
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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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.786 |
Times cited |
98 |
Open Access |
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| |
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
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Call Number |
UA @ lucian @ c:irua:89555 |
Serial |
1008 |
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| Permanent link to this record |
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Author |
Abakumov, A.M.; Tsirlin, A.A.; Perez-Mato, J.M.; Petřiček, V.; Rosner, H.; Yang, T.; Greenblatt, M. |
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Title |
Spiral ground state against ferroelectricity in the frustrated magnet BiMnFe2O6 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
83 |
Issue |
21 |
Pages |
214402-214402,10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+ and Fe3+ cations, this centrosymmetric compound undergoes a transition into an incommensurate antiferromagnetically ordered state below TN≃220 K. The magnetic structure is characterized by the propagation vector k=[0,β,0] with β≃0.14 and the P221211′(0β0)0s0s magnetic superspace symmetry. It comprises antiferromagnetic helixes propagating along the b axis. The magnetic moments lie in the ac plane and rotate about π(1+β)≃204.8-deg angle between the adjacent magnetic atoms along b. The spiral magnetic structure arises from the peculiar frustrated arrangement of exchange couplings in the ab plane. The antiferromagnetic coupling along the c axis cancels the possible electric polarization and prevents ferroelectricity in BiMnFe2O6. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000291197400001 |
Publication Date |
2011-06-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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| |
Call Number |
UA @ lucian @ c:irua:90080 |
Serial |
3107 |
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| Permanent link to this record |
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Author |
Nasirpouri, F.; Engbarth, M.A.; Bending, S.J.; Peter, L.M.; Knittel, A.; Fangohr, H.; Milošević, M.V. |
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Title |
Three-dimensional ferromagnetic architectures with multiple metastable states |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
98 |
Issue |
22 |
Pages |
222506,1-222506,3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000291405700044 |
Publication Date |
2011-06-03 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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Notes |
; This work was supported by EPSRC in the U.K. under Grant Nos. EP/E039944/1 and EP/E040063/1, DYNAMAG project (EU FP7/2007-2013 Grant No. 233552), and FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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Call Number |
UA @ lucian @ c:irua:90008 |
Serial |
3652 |
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| Permanent link to this record |
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Author |
Hezareh, T.; Razavi, F.S.; Kremer, R.K.; Habermeier, H.-U.; Lebedev, O.I.; Kirilenko, D.; Van Tendeloo, G. |
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Title |
Effect of PbZr0.52Ti0.48O3 thin layer on structure, electronic and magnetic properties of La0.65Sr0.35MnO3 and La0.65Ca0.30MnO3 thin-films |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
109 |
Issue |
11 |
Pages |
113707,1-113707,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Epitaxial thin film heterostructures of high dielectric PbZr<sub>1-x</sub>Ti<sub>x</sub>O<sub>3</sub> (PZT) and La<sub>1-x</sub>A<sub>x</sub>MnO<sub>3</sub> (A-divalent alkaline earth metals such as Sr (LSMO) and Ca (LCMO)) were grown on SrTiO<sub>3</sub> substrates and their structure, temperature dependence of electrical resistivity, and magnetization were investigated as a function of the thickness of the LSMO(LCMO) layer. The microstructures of the samples were analyzed by TEM. By applying an electric field across the PZT layer, we applied a ferrodistortive pressure on the manganite layer and studied the correlations between lattice distortion and electric transport and magnetic properties of the CMR materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000292214700069 |
Publication Date |
2011-06-06 |
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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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068; 2011 IF: 2.168 |
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Call Number |
UA @ lucian @ c:irua:90964 |
Serial |
843 |
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| Permanent link to this record |
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Author |
Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M. |
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Title |
Metallic nanograins : spatially nonuniform pairing induced by quantum confinement |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
83 |
Issue |
21 |
Pages |
214509-214509,12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
It is well known that the formation of discrete electron levels strongly influences the pairing in metallic nanograins. Here, we focus on another effect of quantum confinement in superconducting grains that was not studied previously, i.e., spatially nonuniform pairing. This effect is very significant when single-electron levels form bunches and/or a kind of shell structure. We find that, in highly symmetric grains, the order parameter can exhibit variations with position by an order of magnitude. Nonuniform pairing is closely related to a quantum-confinement-induced modification of the pairing-interaction matrix elements and size-dependent pinning of the chemical potential to groups of degenerate or nearly degenerate levels. For illustrative purposes, we consider spherical metallic nanograins and also rectangular shapes. We show that the relevant matrix elements are, as a rule, enhanced in the presence of quantum confinement, which favors spatial variations of the order parameter, compensating the corresponding energy cost. The size-dependent pinning of the chemical potential further increases the spatial variation of the pair condensate. The role of nonuniform pairing is smaller in less symmetric confining geometries and/or in the presence of disorder. However, it always remains of importance when the energy spacing between discrete electron levels δ is approaching the scale of the bulk gap ΔB, i.e., δ>0.10.2 ΔB. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000291310000006 |
Publication Date |
2011-06-06 |
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| |
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 |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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| |
Notes |
; This work was supported by the Alexander von Humboldt Foundation, the Flemish Science Foundation (FWO-VI), and the Belgian Science Policy (IAP). M. D. C. acknowledges support of the European Community under a Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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| |
Call Number |
UA @ lucian @ c:irua:90081 |
Serial |
2010 |
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| Permanent link to this record |
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Author |
Shenderova, O.A.; Vlasov, I.I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S.B.; Shiryaev, A.A.; Khomich, A.A.; Sulyanov, S.N.; Jelezko, F.; Wrachtrup, J. |
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| |
Title |
Nitrogen control in nanodiamond produced by detonation shock-wave-assisted synthesis |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
115 |
Issue |
29 |
Pages |
14014-14024 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Development of efficient production methods of nanodiamond (ND) particles containing substitutional nitrogen and nitrogen-vacancy (NV) complexes remains an important goal in the nanodiamond community. ND synthesized from explosives is generally not among the preferred candidates for imaging applications owing to lack of optically active particles containing NV centers. In this paper, we have systematically studied representative classes of NDs produced by detonation shock wave conversion of different carbon precursor materials, namely, graphite and a graphite/hexogen mixture into ND, as well as ND produced from different combinations of explosives using different cooling methods (wet or dry cooling). We demonstrate that (i) the N content in nanodiamond particles can be controlled through a correct selection of the carbon precursor material (addition of graphite, explosives composition); (ii) particles larger than approximately 20 nm may contain in situ produced optically active NV centers, and (iii) in ND produced from explosives, NV centers are detected only in ND produced by wet synthesis. ND synthesized from a mixture of graphite/explosive contains the largest amount of NV centers formed during synthesis and thus deserves special attention. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000292892500009 |
Publication Date |
2011-06-08 |
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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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
54 |
Open Access |
|
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| |
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
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| |
Call Number |
UA @ lucian @ c:irua:91259 |
Serial |
2342 |
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| Permanent link to this record |
