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Records |
Links |
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Author |
Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M. |
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Title |
Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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| |
Volume |
5 |
Issue |
|
Pages |
4962 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices. |
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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 |
000342984800018 |
Publication Date |
2014-09-17 |
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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 |
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Edition |
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| |
ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
36 |
Open Access |
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Notes |
; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ; |
Approved |
Most recent IF: 12.124; 2014 IF: 11.470 |
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Call Number  |
UA @ lucian @ c:irua:121121 |
Serial |
3628 |
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| Permanent link to this record |
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Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
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Title |
Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
105 |
Issue |
12 |
Pages |
123507 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states. |
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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 |
000343004400090 |
Publication Date |
2014-09-27 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0003-6951;1077-3118; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
18 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:121119 |
Serial |
1704 |
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| Permanent link to this record |
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Author |
Malo, S.; Abakumov, A.M.; Daturi, M.; Pelloquin, D.; Van Tendeloo, G.; Guesdon, A.; Hervieu, M. |
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Title |
Sr21Bi8Cu2(CO3)(2)O-41, a Bi5+ Oxycarbonate with an Original 10L Structure |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
53 |
Issue |
19 |
Pages |
10266-10275 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The layered structure of Sr21Bi8Cu2(CO3)(2)O-41 (Z = 2) was determined by transmission electron microscopy, infrared spectroscopy, and powder X-ray diffraction refinement in space group P6(3)/mcm (No. 194), with a = 10.0966(3)angstrom and c = 26.3762(5)angstrom. This original 10L-type structure is built from two structural blocks, namely, [Sr15Bi6Cu2(CO3)O-29] and [Sr6Bi2(CO3)O-12]. The Bi5+ cations form [Bi2O10] dimers, whereas the Cu2+ and C atoms occupy infinite tunnels running along (c) over right arrow. The nature of the different blocks and layers is discussed with regard to the existing hexagonal layered compounds. Sr21Bi8Cu2(CO3)(2)O-41 is insulating and paramagnetic. |
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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 |
Easton, Pa |
Editor |
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Language |
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Wos |
000342856800039 |
Publication Date |
2014-10-06 |
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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 |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.857 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
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Call Number |
UA @ lucian @ c:irua:121115 |
Serial |
3114 |
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Author |
Ban, V.; Soloninin, A.V.; Skripov, A.V.; Hadermann, J.; Abakumov, A.; Filinchuk, Y. |
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Title |
Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
118 |
Issue |
40 |
Pages |
23402-23408 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV. |
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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 |
000343016800067 |
Publication Date |
2014-09-26 |
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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 |
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 |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
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Call Number |
UA @ lucian @ c:irua:121113 |
Serial |
2711 |
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Author |
Javon, E.; Lubk; Cours, R.; Reboh, S.; Cherkashin, N.; Houdellier, F.; Gatel, C.; Hytch, M.J. |
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Title |
Dynamical effects in strain measurements by dark-field electron holography |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
147 |
Issue |
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Pages |
70-85 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Here, we study the effect of dynamic scattering on the projected geometric phase and strain maps reconstructed using dark-field electron holography (DFEH) for non-uniformly strained crystals. The investigated structure consists of a {SiGe/Si} superlattice grown on a (001)-Si substrate. The three dimensional strain held within the thin TEM lamella is modelled by the finite element method. The observed projected strain is simulated in two ways by multiplying the strain at each depth in the crystal by a weighting function determined from a recently developed analytical two-beam dynamical theory, and by simply taking the average value. We demonstrate that the experimental results need to be understood in terms of the dynamical theory and good agreement is found between the experimental and simulated results. Discrepancies do remain for certain cases and are likely to be from an imprecision in the actual two-beam diffraction conditions, notably the deviation parameter, and points to limitations in the 2-beam approximation. Finally, a route towards a 3D reconstruction of strain fields is proposed. (C) 2014 Elsevier B.V. All rights reserved. |
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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 |
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Wos |
000343157400009 |
Publication Date |
2014-07-02 |
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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 |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
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Call Number |
UA @ lucian @ c:irua:121108 |
Serial |
769 |
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Author |
Chizhov, A.S.; Rumyantseva, M.N.; Vasiliev, R.B.; Filatova, D.G.; Drozdov, K.A.; Krylov, I.V.; Abakumov, A.M.; Gaskov, A.M. |
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Title |
Visible light activated room temperature gas sensors based on nanocrystalline ZnO sensitized with CdSe quantum dots |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
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Volume |
205 |
Issue |
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Pages |
305-312 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This work reports the study of photoconductivity and visible light activated room temperature gas sensors properties of nanocrystalline ZnO thick films sensitized with colloidal CdSe quantum dots (QDs). Nanocrystalline zinc oxide (ZnO) was synthesized by the precipitation method. Colloidal CdSe quantum dots were obtained by high temperature colloidal synthesis. Sensitization was effectuated by three different procedures including direct adsorption of CdSe QDs stabilized with oleic acid on ZnO surface, anchoring to the ZnO surface through a bifunctional molecule of mercaptopropionic acid (MPA), and coating of CdSe QDs with a monolayer of MPA with subsequent adsorption on ZnO surface. Sensor measurements demonstrated that obtained QD CdSe/ZnO nanocomposites can be used for NO2 detection under visible (green) light illumination at room temperature without any thermal heating. (C) 2014 Elsevier B.V. All rights reserved. |
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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 |
Lausanne |
Editor |
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Language |
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Wos |
000343117600041 |
Publication Date |
2014-09-06 |
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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 |
0925-4005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.401 |
Times cited |
36 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.401; 2014 IF: 4.097 |
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Call Number |
UA @ lucian @ c:irua:121107 |
Serial |
3848 |
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Author |
Engelmann; Bogaerts, A.; Neyts, E.C. |
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Title |
Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
6 |
Issue |
20 |
Pages |
11981-11987 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000343000800049 |
Publication Date |
2014-07-24 |
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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 |
2040-3364;2040-3372; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
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Call Number |
UA @ lucian @ c:irua:121106 |
Serial |
3637 |
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Author |
Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E. |
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Title |
Monolayers of MoS2 as an oxidation protective nanocoating material |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
116 |
Issue |
8 |
Pages |
083508 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
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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 |
000342821600017 |
Publication Date |
2014-08-27 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
52 |
Open Access |
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Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
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Call Number |
UA @ lucian @ c:irua:121101 |
Serial |
2194 |
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Author |
Bals, S.; Goris, B.; Liz-Marzan, L.M.; Van Tendeloo, G. |
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Title |
Three-dimensional characterization of noble-metal nanoparticles and their assemblies by electron tomography |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
53 |
Issue |
40 |
Pages |
10600-10610 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
New developments in the field of nanomaterials drive the need for quantitative characterization techniques that yield information down to the atomic scale. In this Review, we focus on the three-dimensional investigations of metal nanoparticles and their assemblies by electron tomography. This technique has become a versatile tool to understand the connection between the properties and structure or composition of nanomaterials. The different steps of an electron tomography experiment are discussed and we show how quantitative three-dimensional information can be obtained even at the atomic scale. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000342761500006 |
Publication Date |
2014-08-11 |
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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 |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
58 |
Open Access |
OpenAccess |
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Notes |
267867 Plasmaquo; 246791 Countatoms; 335078 Colouratom; 262348 Esmi; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 11.994; 2014 IF: 11.261 |
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Call Number |
UA @ lucian @ c:irua:121093 |
Serial |
3646 |
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| Permanent link to this record |
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Author |
Proost, J.; Blaffart, F.; Turner, S.; Idrissi, H. |
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Title |
On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited) |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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Volume |
15 |
Issue |
14 |
Pages |
3116-3124 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Electrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride-free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress-induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field-induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000342770500029 |
Publication Date |
2014-08-27 |
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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 |
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Series Issue |
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Edition |
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| |
ISSN |
1439-4235; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.075 |
Times cited |
5 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.075; 2014 IF: 3.419 |
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Call Number |
UA @ lucian @ c:irua:121086 |
Serial |
2444 |
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Author |
Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.; |
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| |
Title |
Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
|
| |
Volume |
24 |
Issue |
37 |
Pages |
5841-5850 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
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| |
Language |
|
Wos |
000342794500008 |
Publication Date |
2014-07-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.124 |
Times cited |
19 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 12.124; 2014 IF: 11.805 |
|
| |
Call Number |
UA @ lucian @ c:irua:121085 |
Serial |
3686 |
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| Permanent link to this record |
| |
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| |
|
Author |
Van Gaens, W. |
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| |
Title |
Plasma chemistry modelling of an atmospheric pressure argon plasma jet with air impurities for plasma medicine applications |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:121049 |
Serial |
2632 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bal, K.M.; Neyts, E.C. |
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| |
Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
141 |
Issue |
20 |
Pages |
204104 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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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 |
|
Wos |
000345641400005 |
Publication Date |
2014-11-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
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| |
Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
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| Permanent link to this record |
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| |
|
Author |
Lobato, I. |
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| |
Title |
Accurate modeling of high angle electron scattering |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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| |
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 |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
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 |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:120593 |
Serial |
50 |
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| Permanent link to this record |
| |
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| |
|
Author |
Muñoz, W.A. |
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| |
Title |
Superconducting correlations in single and multilayer graphene |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
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Series Title |
|
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 |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:120588 |
Serial |
3350 |
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| Permanent link to this record |
| |
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| |
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Author |
Lu, J.; Martinez, G.T.; Van Aert, S.; Schryvers, D. |
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| |
Title |
Lattice deformations in quasi-dynamic strain glass visualised and quantified by aberration corrected electron microscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
251 |
Issue |
10 |
Pages |
2034-2040 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Advanced transmission electron microscopy and statistical parameter estimated quantification procedures were applied to study the room temperature quasi-dynamical strain glass state in NiTi alloys. Nanosized strain pockets are visualised and the displacements of the atom columns are quantified. A comparison is made with conventional high-resolution transmission electron microscopy images of point defect induced strains in NiAl alloys. |
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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 |
Berlin |
Editor |
|
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| |
Language |
|
Wos |
000344360000009 |
Publication Date |
2014-03-31 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
Fwo |
Approved |
Most recent IF: 1.674; 2014 IF: 1.489 |
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| |
Call Number |
UA @ lucian @ c:irua:120471 |
Serial |
1801 |
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| Permanent link to this record |
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| |
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Author |
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
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| |
Title |
Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
| |
Volume |
16 |
Issue |
40 |
Pages |
22299-22308 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga. |
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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 |
Cambridge |
Editor |
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| |
Language |
|
Wos |
000343072800042 |
Publication Date |
2014-09-05 |
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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 |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.123 |
Times cited |
43 |
Open Access |
|
|
| |
Notes |
; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules foundation and the Flemish Government (EWI Department). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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| |
Call Number |
UA @ lucian @ c:irua:120465 |
Serial |
2284 |
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| Permanent link to this record |
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| |
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Author |
Jiang, W.; Zhang, Y.; Bogaerts, A. |
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| |
Title |
Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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| |
Volume |
16 |
Issue |
|
Pages |
113036 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Bristol |
Editor |
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| |
Language |
|
Wos |
000346763400006 |
Publication Date |
2014-11-15 |
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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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.786 |
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.786; 2014 IF: 3.558 |
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| |
Call Number |
UA @ lucian @ c:irua:120455 |
Serial |
2393 |
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| Permanent link to this record |
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Author |
Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; |
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| |
Title |
Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
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| |
Volume |
43 |
Issue |
37 |
Pages |
13883-13891 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure. |
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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 |
000342074100009 |
Publication Date |
2014-07-28 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
1477-9226;1477-9234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.029 |
Times cited |
7 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 4.029; 2014 IF: 4.197 |
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| |
Call Number |
UA @ lucian @ c:irua:119960 |
Serial |
2545 |
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| Permanent link to this record |
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Author |
Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
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| |
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 |
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| |
Volume |
2 |
Issue |
9 |
Pages |
092801 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
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. |
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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 |
000342568000020 |
Publication Date |
2014-08-28 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2166-532X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.335 |
Times cited |
10 |
Open Access |
|
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| |
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 |
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| |
Call Number |
UA @ lucian @ c:irua:119950 |
Serial |
82 |
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| Permanent link to this record |
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Author |
Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M. |
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| |
Title |
Spin- and valley-dependent magnetotransport in periodically modulated silicene |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
90 |
Issue |
12 |
Pages |
125444 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The low-energy physics of silicene is described by Dirac fermions with a strong spin-orbit interaction and its band structure can be controlled by an external perpendicular electric field E-z. We investigate the commensurability oscillations in silicene modulated by a weak periodic potential V = V-0 cos(2 pi y/a(0)) with a(0) as its period, in the presence of a perpendicular magnetic field B and of a weak sinusoidal electric field E-z = E-0 cos(2 pi y/b(0)), where b(0) is its period. We show that the spin and valley degeneracy of the Landau levels is lifted, due to the modulation, and that the interplay between the strong spin-orbit interaction and the potential and electric field modulations can result in spin- and valley-resolved magnetotransport. At very weak magnetic fields the commensurability oscillations induced by a weak potential modulation can exhibit a beating pattern depending on the strength of the homogenous electric field Ez but this is not the case when only Ez is modulated. The Hall conductivity plateaus acquire a step structure, due to spin and valley intra-Landau-level transitions, that is absent in unmodulated silicene. The results are critically contrasted with those for graphene and the two-dimensional electron gas. |
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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 |
|
Editor |
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| |
Language |
|
Wos |
000342497700008 |
Publication Date |
2014-09-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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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 |
31 |
Open Access |
|
|
| |
Notes |
; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:119946 |
Serial |
3079 |
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| Permanent link to this record |
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Author |
Vodolazov, D.Y.; Peeters, F.M. |
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| |
Title |
Temporary cooling of quasiparticles and delay in voltage response of superconducting bridges after abruptly switching on the supercritical current |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
90 |
Issue |
9 |
Pages |
094504 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We revisit the problem of the dynamic response of a superconducting bridge after abruptly switching on the supercritical current. In contrast to previous theoretical works we take into account spatial gradients and use both the local temperature approach and the kinetic equation for the distribution function of quasiparticles. We find that the temperature dependence of the finite delay time t(d) in the voltage response is model dependent and relatively large t(d) is connected with temporary cooling of quasiparticles during decay of superconducting order parameter vertical bar Delta vertical bar in time. It turns out that the presence of even small inhomogeneities in the bridge or finite length of the homogenous bridge favors a local suppression of vertical bar Delta vertical bar during the dynamic response. It results in a decrease of the delay time, in comparison with the spatially uniform model, due to the diffusion of nonequilibrium quasiparticles from the region with locally suppressed vertical bar Delta vertical bar. In the case when the current density is maximal near the edge of a not very wide bridge the delay time is mainly connected with the time needed for the nucleation (entrance) of the first vortex and t(d) could be tuned by a weak external magnetic field. We also find that a short alternating current pulse (sinusoidlike) with zero time average may result in a nonzero time- averaged voltage response where its sign depends on the phase of the ac current. |
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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 |
000342103600002 |
Publication Date |
2014-09-10 |
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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 |
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 |
2 |
Open Access |
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| |
Notes |
; This work was partially supported by the Russian Foundation for Basic Research (Project No. 12-02-00509), by the Ministry of Education and Science of the Russian Federation (the agreement of August 27, 2013, No. 02.B.49.21.0003, between The Ministry of Education and Science of the Russian Federation and Lobachevsky State University of Nizhni Novgorod) and by the European Science Foundation (ESF) within the framework of the activity entitled “Exploring the Physics of Small Devices (EPSD)” (Project No. 4327). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:119908 |
Serial |
3504 |
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| Permanent link to this record |
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Author |
Sun, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Sougrati, M.-T.; Courty, M.; Doublet, M.-L.; Tarascon, J.-M. |
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| |
Title |
An oxysulfate Fe2O(SO4)2 electrode for sustainable Li-based batteries |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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| |
Volume |
136 |
Issue |
36 |
Pages |
12658-12666 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
High-performing Fe-based electrodes for Li-based batteries are eagerly pursued because of the abundance and environmental benignity of iron, with especially great interest in polyanionic compounds because of their flexibility in tuning the Fe3+/Fe2+ redox potential. We report herein the synthesis and structure of a new Fe-based oxysulfate phase, Fe2O(SO4)(2), made at low temperature from abundant elements, which electrochemically reacts with nearly 1.6 Li atoms at an average voltage of 3.0 V versus Li+/Li, leading to a sustained reversible capacity of similar to 125 mAh/g. The Li insertiondeinsertion process, the first ever reported in any oxysulfate, entails complex phase transformations associated with the position of iron within the FeO6 octahedra. This finding opens a new path worth exploring in the quest for new positive electrode 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 |
Washington, D.C. |
Editor |
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| |
Language |
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Wos |
000341544600029 |
Publication Date |
2014-08-14 |
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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 |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.858 |
Times cited |
11 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 13.858; 2014 IF: 12.113 |
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| |
Call Number |
UA @ lucian @ c:irua:119906 |
Serial |
96 |
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| Permanent link to this record |
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| |
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Author |
Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M. |
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| |
Title |
Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
90 |
Issue |
9 |
Pages |
094111 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence. |
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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 |
000342127000001 |
Publication Date |
2014-09-17 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:119904 |
Serial |
1326 |
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| Permanent link to this record |
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Author |
Zaghi, A.E.; Buffière, M.; Brammertz, G.; Batuk, M.; Lenaers, N.; Kniknie, B.; Hadermann, J.; Meuris, M.; Poortmans, J.; Vleugels, J. |
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Title |
Mechanical synthesis of high purity Cu-In-Se alloy nanopowder as precursor for printed CISe thin film solar cells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced powder technology |
Abbreviated Journal |
Adv Powder Technol |
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| |
Volume |
25 |
Issue |
4 |
Pages |
1254-1261 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Mechanical alloying and ball milling are low cost, up-scalable techniques for the preparation of high purity chalcogenide nanopowders to be used as precursor material for printing thin film solar cells. In this study, high purity copper indium selenium (Cu-In-Se) alloy nanopowders with 20-200 nm particle size were synthesized from macroscopic elemental Cu, In and Se powders via mechanical alloying and planetary ball milling. The particle size distribution, morphology, composition, and purity level of the synthesized Cu-In-Se alloy nanopowders were investigated. Thin Cu-In-Se alloy nanopowder ink coatings, deposited on Mo-coated glass substrates by doctor blading, were converted into a CuInSe2 semiconductor film by selenization heat treatment in Se vapor. The CuInSe2 film showed semiconducting band gap around 1 eV measured by photoluminescence spectroscopy. CuInSe2 absorber layer based thin film solar cell devices were fabricated to assess their performance. The solar cell device showed a total efficiency of 4.8%, as measured on 0.25 cm(2) area cell. (c) 2014 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved. |
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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 |
Zeist |
Editor |
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| |
Language |
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Wos |
000341871700015 |
Publication Date |
2014-03-17 |
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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 |
|
|
| |
ISSN |
0921-8831; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.659 |
Times cited |
10 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.659; 2014 IF: 2.638 |
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Call Number |
UA @ lucian @ c:irua:119896 |
Serial |
1977 |
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| Permanent link to this record |
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Author |
Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Sada, C.; Turner, S.; Van Tendeloo, G.; Barreca, D. |
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Title |
Rational synthesis of F-doped iron oxides on Al2O3(0001) single crystals |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Rsc Advances |
Abbreviated Journal |
Rsc Adv |
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| |
Volume |
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Issue |
94 |
Pages |
52140-52146 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A plasma enhanced-chemical vapor deposition (PE-CVD) route to Fe2O3-based materials on Al2O3(0001) single crystals at moderate growth temperatures (200400 °C) is reported. The use of the fluorinated Fe(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) molecular precursor in Ar/O2 plasmas enabled an in situ F-doping of iron oxide matrices, with a fluorine content tunable as a function of the adopted preparative conditions. Variations of the thermal energy supply enabled control of the system phase composition, resulting in γ-Fe2O3 at 200 °C and α-Fe2O3 nanostructures at higher deposition temperatures. Notably, at 400 °C the formation of highly oriented α-Fe2O3 nanocolumns characterized by an epitaxial relation with the Al2O3(0001) substrate was observed. Beside fluorine content, phase composition and nano-organization, even the system optical properties and, in particular, energy gap values, could be tailored by proper modifications of processing parameters. |
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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 |
000344389000041 |
Publication Date |
2014-10-02 |
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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 |
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Edition |
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| |
ISSN |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.108 |
Times cited |
4 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number |
UA @ lucian @ c:irua:119529 |
Serial |
2814 |
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| Permanent link to this record |
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Author |
Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D. |
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Title |
Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
90 |
Issue |
15 |
Pages |
155124 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers. |
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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 |
000343773200001 |
Publication Date |
2014-10-20 |
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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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
30 |
Open Access |
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Notes |
; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:119527 |
Serial |
800 |
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| Permanent link to this record |
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Author |
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
95 |
Issue |
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Pages |
579-591 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT). |
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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 |
000343781700077 |
Publication Date |
2014-09-16 |
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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 |
0927-0256; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.292; 2014 IF: 2.131 |
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Call Number |
UA @ lucian @ c:irua:119409 |
Serial |
682 |
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| Permanent link to this record |
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Author |
Engelmann, Y.; Bogaerts, A.; Neyts, E.C. |
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Title |
Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
6 |
Issue |
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Pages |
11981-11987 |
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Keywords |
A1 Journal article; PLASMANT |
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Abstract |
Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000343000800049 |
Publication Date |
2014-07-24 |
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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 |
2040-3364;2040-3372; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
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Call Number |
UA @ lucian @ c:irua:119408 |
Serial |
3636 |
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Author |
Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L. |
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Title |
Cascades of multiheaded chimera states for coupled phase oscillators |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
International journal of bifurcation and chaos in applied sciences and engineering |
Abbreviated Journal |
Int J Bifurcat Chaos |
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Volume |
24 |
Issue |
8 |
Pages |
1440014 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state. |
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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 |
Singapore |
Editor |
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Language |
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Wos |
000341494900015 |
Publication Date |
2014-08-29 |
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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 |
0218-1274;1793-6551; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.329 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 1.329; 2014 IF: 1.078 |
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| |
Call Number |
UA @ lucian @ c:irua:119303 |
Serial |
285 |
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| Permanent link to this record |
