Records |
Author |
Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
Title |
0 and π phase Josephson coupling through an insulating barrier with magnetic impurities |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
2 |
Pages |
020502 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. |
Address |
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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 |
|
Wos |
000239426600010 |
Publication Date |
2006-07-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 |
Serial |
1 |
Permanent link to this record |
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Author |
Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. |
Title |
The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
17 |
Issue |
22 |
Pages |
2344-2350 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000247349400020 |
Publication Date |
2007-04-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
7 |
Open Access |
|
Notes |
Supergmr:Hprn-Ct-2000-0021 |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:64749 c:irua:64749 |
Serial |
13 |
Permanent link to this record |
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Author |
Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D. |
Title |
3D reconstruction of Ni4Ti3 precipitates in a Ni51Ti49 alloy in a FIB/SEM dual-beam system |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Materials science forum |
Abbreviated Journal |
|
Volume |
583 |
Issue |
|
Pages |
277-284 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Ni4Ti3 precipitates play an important role in the shape memory and superelastic behaviour of thermo-mechanically treated Ni-Ti material. The 3D morphology and distribution of such precipitates with lenticular shape and rhombohedral atomic structure in the austenitic B2 matrix of a binary Ni-rich Ni-Ti alloy has been elucidated via a slice view procedure in a Dual-Beam FIB/SEM system. With the sequence of cross-section SE images obtained from the SEM, a 3D reconstruction has been achieved after proper alignment and image processing, from which both qualitative and quantitative analysis can be performed. Careful imaging is needed to ensure that all variants of the precipitates are observed with equal probability, regardless sample orientation. Moreover, due to the weak contrast of the precipitates, proper imaging conditions need to be selected to allow for semi-automated image treatment. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.36Ti49.64 for the matrix, leading to an increase of 113 degrees for the martensitic start temperature Ms. Also, the expected relative orientation of the different variants of the precipitates could be confirmed. In the near future, other quantitative measures on the distribution of the precipitates can be expected. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
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Publication Date |
2009-03-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1662-9752; |
ISBN |
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Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
Multimat; Fwo |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:77454 |
Serial |
16 |
Permanent link to this record |
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Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
Title |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
20 |
Pages |
205306 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
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 |
000327161500007 |
Publication Date |
2013-11-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
Permanent link to this record |
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Author |
Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
Title |
A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions |
Type |
A1 Journal article |
Year |
2003 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
Volume |
107 |
Issue |
16 |
Pages |
3690-3696 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism. |
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 |
000182350200005 |
Publication Date |
2003-04-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.177 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.177; 2003 IF: 3.679 |
Call Number |
UA @ lucian @ c:irua:103300 |
Serial |
24 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Ab initio approach to superexchange interactions in alkali doped fullerides AC60 |
Type |
P1 Proceeding |
Year |
2004 |
Publication |
AIP conference proceedings
T2 – 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
393-396 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000224699400085 |
Publication Date |
2004-11-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
723 |
Series Issue |
|
Edition |
|
ISSN |
0-7354-0204-3 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:103752 |
Serial |
27 |
Permanent link to this record |
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Author |
Dadsetani, M.; Titantah, J.T.; Lamoen, D. |
Title |
Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
Volume |
19 |
Issue |
1 |
Pages |
73-77 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. |
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 |
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Wos |
000274234500013 |
Publication Date |
2009-11-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.561 |
Times cited |
11 |
Open Access |
|
Notes |
Goa; Esteem 026019 |
Approved |
Most recent IF: 2.561; 2010 IF: 1.825 |
Call Number |
UA @ lucian @ c:irua:79444 |
Serial |
29 |
Permanent link to this record |
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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 |
000329299700025 |
Publication Date |
2013-10-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
|
Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
Permanent link to this record |
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Author |
Farias, G.A.; da Costa, W.B.; Peeters, F.M. |
Title |
Acoustical polarons and bipolarons in two dimensions |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
54 |
Issue |
|
Pages |
12835-12840 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1996VT68200039 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
30 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:15790 |
Serial |
54 |
Permanent link to this record |
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Author |
García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G. |
Title |
Adatoms and Anderson localization in graphene |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
8 |
Pages |
085425 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene. |
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 |
000341238600004 |
Publication Date |
2014-08-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
Notes |
; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:119258 |
Serial |
57 |
Permanent link to this record |
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Author |
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085444-85448 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface. |
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 |
000315482900007 |
Publication Date |
2013-02-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
169 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107071 |
Serial |
60 |
Permanent link to this record |
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Author |
Sahin, H.; Peeters, F.M. |
Title |
Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085423-85429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423 |
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 |
000315146500008 |
Publication Date |
2013-02-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
281 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107663 |
Serial |
62 |
Permanent link to this record |
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Author |
Huygh, S.; Neyts, E.C. |
Title |
Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
119 |
Issue |
119 |
Pages |
4908-4921 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy. |
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 |
000350840700052 |
Publication Date |
2015-02-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
Call Number |
c:irua:124909 |
Serial |
63 |
Permanent link to this record |
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|
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
|
Pages |
125416,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000254543000133 |
Publication Date |
2008-03-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
1392 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:69634 |
Serial |
67 |
Permanent link to this record |
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Author |
Van Tendeloo, G.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
Title |
Advanced electron microscopy and its possibilities to solve complex structures: application to transition metal oxides |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
19 |
Issue |
18 |
Pages |
2660-2670 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Design and optimization of materials properties can only be performed through a thorough knowledge of the structure of the compound. In this feature article we illustrate the possibilities of advanced electron microscopy in materials science and solid state chemistry. The different techniques are briefly discussed and several examples are given where the structures of complex oxides, often with a modulated structure, have been solved using electron microscopy. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000265740600002 |
Publication Date |
2009-02-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:77065 |
Serial |
68 |
Permanent link to this record |
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|
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Author |
Van Tendeloo, G.; Bals, S.; Van Aert, S.; Verbeeck, J.; van Dyck, D. |
Title |
Advanced electron microscopy for advanced materials |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
Volume |
24 |
Issue |
42 |
Pages |
5655-5675 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
The idea of this Review is to introduce newly developed possibilities of advanced electron microscopy to the materials science community. Over the last decade, electron microscopy has evolved into a full analytical tool, able to provide atomic scale information on the position, nature, and even the valency atoms. This information is classically obtained in two dimensions (2D), but can now also be obtained in 3D. We show examples of applications in the field of nanoparticles and interfaces. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000310602200001 |
Publication Date |
2012-08-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.791 |
Times cited |
107 |
Open Access |
|
Notes |
This work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No 246791 – COUNTATOMS. J.V. Acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium). The Qu-Ant-EM microscope was partly funded by the Hercules Fund from the Flemish Government. We thank Rafal Dunin-Borkowski for providing Figure 5d. The authors would like to thank the colleagues who have contributed to this work over the years, including K.J. Batenburg, R. Erni, B. Goris, F. Leroux, H. Lichte, A. Lubk, B. Partoens, M. D. Rossell, P. Schattschneider, B. Schoeters, D. Schryvers, H. Tan, H. Tian, S. Turner, M. van Huis. ECASJO_; |
Approved |
Most recent IF: 19.791; 2012 IF: 14.829 |
Call Number |
UA @ lucian @ c:irua:100470UA @ admin @ c:irua:100470 |
Serial |
70 |
Permanent link to this record |
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Author |
Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S. |
Title |
Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
Sci Technol Adv Mat |
Volume |
14 |
Issue |
1 |
Pages |
014206-14213 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Sendai |
Editor |
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Language |
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Wos |
000316463800008 |
Publication Date |
2013-03-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1468-6996;1878-5514; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.798 |
Times cited |
6 |
Open Access |
|
Notes |
Fwo; Iap; Esteem |
Approved |
Most recent IF: 3.798; 2013 IF: 2.613 |
Call Number |
UA @ lucian @ c:irua:107343 |
Serial |
77 |
Permanent link to this record |
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Author |
Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
Title |
Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene |
Type |
A1 Journal article |
Year |
2014 |
Publication |
APL materials |
Abbreviated Journal |
Apl Mater |
Volume |
2 |
Issue |
9 |
Pages |
092801 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
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 |
000342568000020 |
Publication Date |
2014-08-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
2166-532X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.335 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; |
Approved |
Most recent IF: 4.335; 2014 IF: NA |
Call Number |
UA @ lucian @ c:irua:119950 |
Serial |
82 |
Permanent link to this record |
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Author |
Vasilopoulos, P.; Kálmán, O.; Peeters, F.M.; Benedict, M.G. |
Title |
Aharonov-Bohm oscillations in a mesoscopic ring with asymmetric arm-dependent injection |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
75 |
Issue |
3 |
Pages |
035304,1-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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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 |
000243895400086 |
Publication Date |
2007-01-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
Call Number |
UA @ lucian @ c:irua:63751 |
Serial |
86 |
Permanent link to this record |
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Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
Title |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
19 |
Pages |
195307-195312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications. |
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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 |
000319252200003 |
Publication Date |
2013-05-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
Permanent link to this record |
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Author |
Collart, O.; Cool, P.; van der Voort, P.; Meynen, V.; Vansant, E.F.; Houthoofd, K.J.; Grobet, P.J.; Lebedev, O.I.; Van Tendeloo, G. |
Title |
Aluminum incorporation into MCM-48 toward the creation of Brønsted acidity |
Type |
A1 Journal article |
Year |
2004 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
Volume |
108 |
Issue |
|
Pages |
13905-13912 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
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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 |
000224164000003 |
Publication Date |
2004-09-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.177 |
Times cited |
13 |
Open Access |
|
Notes |
Fwo; Iuap P5/01 |
Approved |
Most recent IF: 3.177; 2004 IF: 3.834 |
Call Number |
UA @ lucian @ c:irua:49014 |
Serial |
92 |
Permanent link to this record |
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Author |
van Cleempoel, A.; Gijbels, R.; van den Heuvel, H.; Claeys, M. |
Title |
Analysis of C60 and C70 oxides by HPLC and low- and high-energy collision-induced dissocation tandem mass spectrometry |
Type |
P1 Proceeding |
Year |
1997 |
Publication |
Proceedings Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, 191th Meeting of the Electrochemical Society, Montreal, Canada, 4-9 May 1997 |
Abbreviated Journal |
|
Volume |
4 |
Issue |
|
Pages |
783-800 |
Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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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 |
A1997BJ44R00081 |
Publication Date |
0000-00-00 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:19150 |
Serial |
99 |
Permanent link to this record |
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Author |
Lu, Y.-G.; Verbeeck, J.; Turner, S.; Hardy, A.; Janssens, S.D.; De Dobbelaere, C.; Wagner, P.; Van Bael, M.K.; Van Tendeloo, G. |
Title |
Analytical TEM study of CVD diamond growth on TiO2 sol-gel layers |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
Volume |
23 |
Issue |
|
Pages |
93-99 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The early growth stages of chemical vapor deposition (CVD) diamond on a solgel TiO2 film with buried ultra dispersed diamond seeds (UDD) have been studied. In order to investigate the diamond growth mechanism and understand the role of the TiO2 layer in the growth process, high resolution transmission electron microscopy (HRTEM), energy-filtered TEM and electron energy loss spectroscopy (EELS) techniques were applied to cross sectional diamond film samples. We find evidence for the formation of TiC crystallites inside the TiO2 layer at different diamond growth stages. However, there is no evidence that diamond nucleation starts from these crystallites. Carbon diffusion into the TiO2 layer and the chemical bonding state of carbon (sp2/sp3) were both extensively investigated. We provide evidence that carbon diffuses through the TiO2 layer and that the diamond seeds partially convert to amorphous carbon during growth. This carbon diffusion and diamond to amorphous carbon conversion make the seed areas below the TiO2 layer grow and bend the TiO2 layer upwards to form the nucleation center of the diamond film. In some of the protuberances a core of diamond seed remains, covered by amorphous carbon. It is however unlikely that the remaining seeds are still active during the growth process. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000302887600017 |
Publication Date |
2012-01-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.561 |
Times cited |
16 |
Open Access |
|
Notes |
Iap; Esteem 026019; Fwo |
Approved |
Most recent IF: 2.561; 2012 IF: 1.709 |
Call Number |
UA @ lucian @ c:irua:95037UA @ admin @ c:irua:95037 |
Serial |
111 |
Permanent link to this record |
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Author |
Corbel, G.; Attfield, J.P.; Hadermann, J.; Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V. |
Title |
Anion rearrangements in fluorinated Nd2CuO3.5 |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
15 |
Issue |
|
Pages |
189-195 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000180368000029 |
Publication Date |
2003-01-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2003 IF: 4.374 |
Call Number |
UA @ lucian @ c:irua:40348 |
Serial |
123 |
Permanent link to this record |
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|
|
Author |
Casavola, M.; van Huis, M.A.; Bals, S.; Lambert, K.; Hens, Z.; Vanmaekelbergh, D. |
Title |
Anisotropic cation exchange in PbSe/CdSe core/shell nanocrystals of different geometry |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
24 |
Issue |
2 |
Pages |
294-302 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We present a study of Cd2+-for-Pb2+ exchange in PbSe nanocrystals (NCs) with cube, star, and rod shapes. Prolonged temperature-activated cation exchange results in PbSe/CdSe heterostructured nanocrystals (HNCs) that preserve their specific overall shape, whereas the PbSe core is strongly faceted with dominance of {111} facets. Hence, cation exchange proceeds while the Se anion lattice is preserved, and well-defined {111}/{111} PbSe/CdSe interfaces develop. Interestingly, by quenching the reaction at different stages of the cation exchange new structures have been isolated, such as coreshell nanorods, CdSe rods that contain one or two separated PbSe dots and fully zinc blende CdSe nanorods. The crystallographically anisotropic cation exchange has been characterized by a combined HRTEM/HAADF-STEM study of heterointerface evolution over reaction time and temperature. Strikingly, Pb and Cd are only intermixed at the PbSe/CdSe interface. We propose a plausible model for the cation exchange based on a layer-by-layer replacement of Pb2+ by Cd2+ enabled by a vacancy-assisted cation migration mechanism. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000299367500008 |
Publication Date |
2011-11-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
136 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
Call Number |
UA @ lucian @ c:irua:94211 |
Serial |
124 |
Permanent link to this record |
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|
|
Author |
De Meulenaere, P.; Rodewald, M.; Van Tendeloo, G. |
Title |
Anisotropic cluster model for the short-range order in Cu1-xPdx-type alloys |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
57 |
Issue |
18 |
Pages |
11132-11140 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The split diffuse maxima around the {110} and {100} positions in the diffraction pattern of short-range-ordered Cu1-xPdx alloys (x=0.10...0.60) are attributed to small atomic clusters, being part of the underlying fee lattice. By analyzing the reciprocal space geometry, our cluster method identifies two prominent cluster types: the tetrahedron of nearest neighbors and a linear three-points cluster along the [110] directions. Since both cluster types contain different information on the same nearest-neighbor correlations, local anisotropy has to be assumed. It is shown that the three interatomic pair interactions within these basic clusters are sufficient to generate the spot splitting in the diffraction pattern. A ground-state analysis with these interactions reproduces the results of the anisotropic next-nearest-neighbor Ising model. |
Address |
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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 |
|
Wos |
000073585200026 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 1998 IF: NA |
Call Number |
UA @ lucian @ c:irua:25678 |
Serial |
125 |
Permanent link to this record |
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|
|
Author |
Szafran, B.; Peeters, F.M.; Bednarek, S.; Adamowski, J. |
Title |
Anisotropic quantum dots: Correspondence between quantum and classical Wigner molecules, parity symmetry, and broken-symmetry states |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
69 |
Issue |
|
Pages |
125344,1-15 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000221259000107 |
Publication Date |
2004-03-31 |
Series Editor |
|
Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:69384 |
Serial |
129 |
Permanent link to this record |
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|
Author |
Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. |
Title |
Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
16 |
Pages |
165409-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409 |
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 |
000317195400007 |
Publication Date |
2013-04-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
365 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:108471 |
Serial |
134 |
Permanent link to this record |
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|
|
Author |
Stefanovich, S.Y.; Belik, A.A.; Azuma, M.; Takano, M.; Baryshnikova, O.V.; Morozov, V.A.; Lazoryak, B.I.; Lebedev, O.I.; Van Tendeloo, G. |
Title |
Antiferroelectric phase transition in Sr9In(PO4)7 |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
70 |
Issue |
|
Pages |
172103,1-4 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000225477000003 |
Publication Date |
2004-11-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
Notes |
Iuap P5/01 |
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:54744 |
Serial |
135 |
Permanent link to this record |
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|
|
Author |
Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. |
Title |
Antiferroelectric (Pb,Bi)1-xFe1+xO3-y perovskites modulated by crystallographic shear planes |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
23 |
Issue |
2 |
Pages |
255-265 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000286160800018 |
Publication Date |
2010-12-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title ![sorted by Abbreviated Series Title field, ascending order (up)](img/sort_asc.gif) |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
Call Number |
UA @ lucian @ c:irua:88651 |
Serial |
136 |
Permanent link to this record |