Records |
Author |
Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Matsushita, N.; Yoshimura, M.; Guitian, F. |
Title |
Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
Mat Sci Eng C-Mater |
Volume |
29 |
Issue |
7 |
Pages |
2124-2132 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones. |
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 |
000270159200008 |
Publication Date |
2009-04-20 |
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 |
0928-4931; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.164 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.164; 2009 IF: NA |
Call Number |
UA @ lucian @ c:irua:79312 |
Serial |
2812 |
Permanent link to this record |
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|
|
Author |
Neyts, E.; Tacq, M.; Bogaerts, A. |
Title |
Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
Volume |
15 |
Issue |
10 |
Pages |
1663-1676 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000241224000026 |
Publication Date |
2006-03-08 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.561 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.561; 2006 IF: 1.935 |
Call Number |
UA @ lucian @ c:irua:59634 |
Serial |
2819 |
Permanent link to this record |
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Author |
Bogomolova, A.; Hruby, M.; Panek, J.; Rabyk, M.; Turner, S.; Bals, S.; Steinhart, M.; Zhigunov, A.; Sedlacek, O.; Stepanek, P.; Filippov, S.K.; |
Title |
Small-angle X-ray scattering and light scattering study of hybrid nanoparticles composed of thermoresponsive triblock copolymer F127 and thermoresponsive statistical polyoxazolines with hydrophobic moieties |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of applied crystallography |
Abbreviated Journal |
J Appl Crystallogr |
Volume |
46 |
Issue |
6 |
Pages |
1690-1698 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A combination of new thermoresponsive statistical polyoxazolines, poly[(2-butyl-2-oxazoline)-stat-(2-isopropyl-2-oxazoline)] [pBuOx-co-piPrOx], with different hydrophobic moieties and F127 surfactant as a template system for the creation of thermosensitive nanoparticles for radionuclide delivery has recently been tested [Pánek, Filippov, Hrubý, Rabyk, Bogomolova, Kučka Stěpánek (2012). Macromol. Rapid Commun.33, 16831689]. It was shown that the presence of the thermosensitive F127 triblock copolymer in solution reduces nanoparticle size and polydispersity. This article focuses on a determination of the internal structure and solution properties of the nanoparticles in the temperature range from 288 to 312 K. Here, it is demonstrated that below the cloud point temperature (CPT) the polyoxazolines and F127 form complexes that co-exist in solution with single F127 molecules and large aggregates. When the temperature is raised above the CPT, nanoparticles composed of polyoxazolines and F127 are predominant in solution. These nanoparticles could be described by a spherical shell model. It was found that the molar weight and hydrophobicity of the polymer do not influence the size of the outer radius and only slightly change the inner radius of the nanoparticles. At the same time, molar weight and hydrophobicity did affect the process of nanoparticle formation. In conclusion, poly(2-oxazoline) molecules are fully incorporated inside of F127 micelles, and this result is very promising for the successful application of such systems in radionuclide delivery. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
000327070000020 |
Publication Date |
2013-11-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0021-8898; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
262348 Esmi; Fwo; Iap-Pai |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:112420 |
Serial |
3042 |
Permanent link to this record |
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Author |
Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
103005 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of
malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution. |
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 |
000367328100001 |
Publication Date |
2015-10-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608). |
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:129178 |
Serial |
3955 |
Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
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 |
000300931900004 |
Publication Date |
2012-02-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
51 |
Issue |
1 |
Pages |
146-150 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000296214300020 |
Publication Date |
2011-08-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0927-0256; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.292; 2012 IF: 1.878 |
Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
Permanent link to this record |
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Author |
Arsoski, V.V.; Tadić, M.Z.; Peeters, F.M. |
Title |
Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085314-14 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314 |
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 |
000315278000003 |
Publication Date |
2013-02-25 |
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 |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
; This work was supported by the EU NoE: SANDiE, the Ministry of Education, Science, and Technological Development of Serbia, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107656 |
Serial |
3165 |
Permanent link to this record |
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|
Author |
Baguer, N.; Bogaerts, A. |
Title |
Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
98 |
Issue |
3 |
Pages |
033303,1-033303,11 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics. |
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 |
000231246100007 |
Publication Date |
2005-08-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2005 IF: 2.498 |
Call Number |
UA @ lucian @ c:irua:54597 |
Serial |
3340 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Cabral, L.R.E.; Peeters, F.M. |
Title |
Surface barrier for flux entry and exit in mesoscopic superconducting systems |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
46 |
Issue |
9 |
Pages |
095105 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The energy barrier which has to be overcome for a single vortex to enter or exit the sample is studied for thin superconducting disks, rings, and squares using the nonlinear Ginzburg-Landau theory. The shape and the height of the nucleation barrier is investigated for different sample radii and thicknesses and for different values of the Ginzburg-Landau parameter kappa. It is shown that the London theory considerably overestimates (underestimates) the energy barrier for vortex expulsion (penetration). (c) 2005 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000232206700005 |
Publication Date |
2005-09-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-2488; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.077; 2005 IF: 1.192 |
Call Number |
UA @ lucian @ c:irua:103142 |
Serial |
3393 |
Permanent link to this record |
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Author |
Gillie, L.J.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C. |
Title |
Synthesis and characterization of the reduced double-layer manganite Sr3Mn2O6+x |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
175 |
Issue |
|
Pages |
188-196 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000186126600007 |
Publication Date |
2003-09-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2003 IF: 1.413 |
Call Number |
UA @ lucian @ c:irua:42713 |
Serial |
3419 |
Permanent link to this record |
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Author |
Takeda, M.; Suzuki, N.; Shinohara, G.; Endo, T.; van Landuyt, J. |
Title |
TEM study on precipitation behavior in Cu-Co alloys |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
168 |
Issue |
|
Pages |
27-35 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000075226500005 |
Publication Date |
2002-09-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-8965;1521-396X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:29677 |
Serial |
3494 |
Permanent link to this record |
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Author |
Krekels, T.; Milat, O.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.; Slater, P.R.; Greaves, C. |
Title |
SO4-chain formation and ordering in [YSrCa]Sr2Cu2.78(SO4)0.22O7-\delta |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
210 |
Issue |
3-4 |
Pages |
439-446 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
YBCO-based materials containing SO4-tetrahedra centered on the Cu(1)-sites of the CuO-chain plane have been examined by means of electron diffraction and high resolution electron microscopy. An incommensurate modulation is observed and attributed to the ordering of b-oriented SO4-rich chains in the Cu(1)-S-O-layer, described in terms of an SO4-concentration wave. |
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 |
A1993LG46100018 |
Publication Date |
2002-10-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.942 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:102977 |
Serial |
3557 |
Permanent link to this record |
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Author |
Martin, J.M.L.; Francois; Gijbels, R. |
Title |
The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
Volume |
168 |
Issue |
2 |
Pages |
363-373 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc. |
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 |
|
Language |
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Wos |
A1994PU60800015 |
Publication Date |
2002-10-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-2852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.482 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:95414 |
Serial |
3570 |
Permanent link to this record |
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|
|
Author |
Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H. |
Title |
Thin films of the spin ice compound Ho2Ti2O7 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
APL materials |
Abbreviated Journal |
Apl Mater |
Volume |
2 |
Issue |
3 |
Pages |
032101-32107 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction. |
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 |
000334220300002 |
Publication Date |
2014-03-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2166-532X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.335 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta |
Approved |
Most recent IF: 4.335; 2014 IF: NA |
Call Number |
UA @ lucian @ c:irua:115555 |
Serial |
3641 |
Permanent link to this record |
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|
|
Author |
Schweigert, V.A.; Peeters, F.M. |
Title |
Time dependent properties of classical artificial atoms |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
10 |
Issue |
|
Pages |
2417-2435 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000072951000006 |
Publication Date |
2002-08-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.649; 1998 IF: 1.645 |
Call Number |
UA @ lucian @ c:irua:24175 |
Serial |
3665 |
Permanent link to this record |
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Author |
Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B. |
Title |
Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
21 |
Issue |
14 |
Pages |
3242-3250 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000268174400032 |
Publication Date |
2009-06-24 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
Call Number |
UA @ lucian @ c:irua:78285 |
Serial |
3682 |
Permanent link to this record |
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|
|
Author |
Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M. |
Title |
Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
Volume |
61 |
Issue |
1 |
Pages |
77-92 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
Language |
|
Wos |
000225865500008 |
Publication Date |
2004-12-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0108-7673; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.725 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.725; 2005 IF: 1.791 |
Call Number |
UA @ lucian @ c:irua:51442 |
Serial |
3706 |
Permanent link to this record |
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|
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Author |
Lin, N.S.; Misko, V.R.; Peeters, F.M. |
Title |
Unconventional vortex dynamics in mesoscopic superconducting corbino disks |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
102 |
Issue |
19 |
Pages |
197003,1-197003,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The discrete shell structure of vortex matter strongly influences the flux dynamics in mesoscopic superconducting Corbino disks. While the dynamical behavior is well understood in large and in very small disks, in the intermediate-size regime it occurs to be much more complex and unusual, due to (in)commensurability between the vortex shells. We demonstrate unconventional vortex dynamics (inversion of shell velocities with respect to the gradient driving force) and angular melting (propagating from the boundary where the shear stress is minimum, towards the center) in mesoscopic Corbino disks. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000266207700063 |
Publication Date |
2009-05-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
Call Number |
UA @ lucian @ c:irua:77396 |
Serial |
3800 |
Permanent link to this record |
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Author |
Douglas, A.; Neethling, J.H.; Santamarta, R.; Schryvers, D.; Cornish, L.A. |
Title |
Unexpected ordering behaviour of Pt3Al intermetallic precipitates |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
Volume |
432 |
Issue |
1/2 |
Pages |
96-102 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
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Wos |
000245486300024 |
Publication Date |
2006-07-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-8388; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.133 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.133; 2007 IF: 1.455 |
Call Number |
UA @ lucian @ c:irua:64279 |
Serial |
3808 |
Permanent link to this record |
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|
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
Title |
Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
14 |
Pages |
144511,1-144511,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using time-dependent Ginzburg-Landau theory, we study the dynamic properties of a rectangular superconducting loop, which are found to depend on the position of the current leads. For asymmetric positioning of the leads, different kinetic inductance of the two paths for injected electric current leads to different critical conditions in the two branches. System self-regulates by allowing vortex entry, as vortex currents bring equilibration between the two current flows and the conventional resistive state can be realized. We also demonstrate that individual vortex entry in the loop can be detected by measuring the voltage between normal-metal leads, for applied currents comparable in magnitude to the screening currents. |
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 |
000277210200107 |
Publication Date |
2010-04-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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 ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the ESF-NES program, and the ESF-AQDJJ network. G.R.B. acknowledges support from FWO-Vlaanderen. The authors thank S. Michotte for useful discussions. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:82804 |
Serial |
3901 |
Permanent link to this record |
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Author |
Deyneko, D.V.; Morozov, V.A.; Hadermann, J.; Savon, A.E.; Spassky, D.A.; Stefanovich, S.Y.; Belik, A.A.; Lazoryak, B.I. |
Title |
A novel red Ca8.5Pb0.5Eu(PO4)7 phosphor for light emitting diodes application |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
Volume |
647 |
Issue |
647 |
Pages |
965-972 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Ca9-xPbxEu(PO4)(7) (0 <= x <= 1) solid solutions with a whitlockite-type (or beta-Ca-3(PO4)(2)-type) structure (sp.gr. R3c) were prepared by a standard solid-state method in air. Their luminescent properties under near-ultraviolet (n-UV) light were investigated. Excitation spectra of Ca9-xPbxEu(PO4)(7) showed the strongest absorption at about 395 nm, which matches well with commercially available n-UV-emitting GaN-based LED chips. Emission spectra indicated an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with a maximum in the intensity for Ca8.5Pb0.5Eu(PO4)(7). The emission intensity of Ca8.5Pb0.5Eu(PO4)(7) was about 1.8 times higher than that of a Ca9Eu(PO4)(7) phosphor. We suggest that the introduction of Pb2+ is an efficient approach to enhance luminescence properties of such phosphors. We clarified the influence of the Ca2+/Pb2+ substitution on intensities of three bands for the D-5(0) -> F-7(0) transition in excitation spectra of Ca9-xPbxEu(PO4)(7). In addition, we found a reversible first-order phase transition from R3c to R (3) over barc symmetry by second-harmonic generation in the range from 753 K (x = 1) to 846 K (x = 0). (C) 2015 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000361156400135 |
Publication Date |
2015-06-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.133 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.133; 2015 IF: 2.999 |
Call Number |
UA @ lucian @ c:irua:128720 |
Serial |
4215 |
Permanent link to this record |
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Author |
Forsh, E.A.; Abakumov, A.M.; Zaytsev, V.B.; Konstantinova, E.A.; Forsh, P.A.; Rumyantseva, M.N.; Gaskov, A.M.; Kashkarov, P.K. |
Title |
Optical and photoelectrical properties of nanocrystalline indium oxide with small grains |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
Volume |
595 |
Issue |
595 |
Pages |
25-31 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Optical properties, spectral dependence of photoconductivity and photoconductivity decay in nanocrystalline indium oxide In2O3 are studied. A number of nanostructured In2O3 samples with various nanocrystals size are prepared by sol-gel method and characterized using various techniques. The mean nanocrystals size varies from 7 to 8 nm to 39-41 nm depending on the preparation conditions. Structural characterization of the In2O3 samples is performed by means of transmission electron microscopy and X-ray powder diffraction. The combined analysis of ultraviolet-visible absorption spectroscopy and diffuse reflectance spectroscopy shows that nanostructuring leads to the change in optical band gap: optical band gap of the In2O3 samples (with an average nanocrystal size from 7 to 41 nm) is equal to 2.8 eV. We find out the correlation between spectral dependence of photoconductivity and optical properties of nanocrystalline In2O3: sharp increase in photoconductivity was observed to begin at 2.8 eV that is equal to the optical bandgap in the In2O3 samples, and reached its maximum at 3.2-3.3 eV. The combined analysis of the slow photoconductivity decay in air, vacuum and argon, that was accurately fitted by a stretched-exponential function, and electron paramagnetic resonance (EPR) measurements shows that the kinetics of photoconductivity decay is strongly depended on the presence of oxygen molecules in the ambient of In2O3 nanocrystals. There is the quantitative correlation between EPR and photoconductivity data. Based on the obtained data we propose the model clearing up the phenomenon of permanent photoconductivity decay in nanocrystalline In2O3. (C) 2015 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000365812400005 |
Publication Date |
2015-10-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0040-6090 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.879 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.879; 2015 IF: 1.759 |
Call Number |
UA @ lucian @ c:irua:130254 |
Serial |
4219 |
Permanent link to this record |
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|
|
Author |
Torun, E.; Sahin, H.; Peeters, F.M. |
Title |
Optical properties of GaS-Ca(OH)2 bilayer heterostructure |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
075111 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Finding novel atomically thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of a GaS-Ca(OH)(2) heterostructure using first-principle calculations. The band gap of the GaS-Ca(OH)(2) heterostructure is significantly reduced when compared to those of the isolated constituent layers. Our calculations showthat the GaS-Ca(OH)(2) heterostructure is a type-II heterojunction which can be used to separate photoinduced charge carriers where electrons are localized in GaS and holes in the Ca(OH)(2) layer. This leads to spatially indirect excitons which are important for solar energy and optoelectronic applications due to their long lifetime. By solving the Bethe-Salpeter equation on top of a single shot GW calculation (G(0)W(0)), the dielectric function and optical oscillator strength of the constituent monolayers and the heterostructure are obtained. The oscillator strength of the optical transition for the GaS monolayer is an order of magnitude larger than the Ca(OH)(2) monolayer. We also found that the calculated optical spectra of different stacking types of the heterostructure show dissimilarities, although their electronic structures are rather similar. This prediction can be used to determine the stacking type of ultrathin heterostructures. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000369401000001 |
Publication Date |
2016-02-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:131614 |
Serial |
4220 |
Permanent link to this record |
|
|
|
Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
Title |
Self-assembly of Janus particles into helices with tunable pitch |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
92 |
Issue |
92 |
Pages |
042309 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Physical Society |
Place of Publication |
Melville, N.Y. |
Editor |
|
Language |
|
Wos |
000362903700004 |
Publication Date |
2015-10-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755; 1550-2376 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; |
Approved |
Most recent IF: 2.366; 2015 IF: 2.288 |
Call Number |
UA @ lucian @ c:irua:129416 |
Serial |
4241 |
Permanent link to this record |
|
|
|
Author |
Grzelczak, M.; Sanchez-Iglesias, A.; Heidari, H.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.; Liz-Marzan, L.M. |
Title |
Silver Ions Direct Twin-Plane Formation during the Overgrowth of Single-Crystal Gold Nanoparticles |
Type |
A1 Journal article |
Year |
2016 |
Publication |
ACS Omega |
Abbreviated Journal |
|
Volume |
1 |
Issue |
1 |
Pages |
177-181 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
It is commonly agreed that the crystalline structure of seeds dictates the crystallinity of final nanoparticles in a seeded-growth process. Although the formation of monocrystalline particles does require the use of single-crystal seeds, twin planes may stem from either single-or polycrystalline seeds. However, experimental control over twin-plane formation remains difficult to achieve synthetically. Here, we show that a careful interplay between kinetics and selective surface passivation offers a unique handle over the emergence of twin planes (in decahedra and triangles) during the growth over single-crystalline gold nanoparticles of quasi-spherical shape. Twinning can be suppressed under conditions of slow kinetics in the presence of silver ions, yielding single-crystalline particles with high-index facets. |
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 |
|
Language |
|
Wos |
000391203300002 |
Publication Date |
2016-08-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2470-1343;2470-1343; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
OpenAccess |
Notes |
; This work was supported by the Spanish Ministerio de Economia y Competitividad MINECO (grants: MAT2013-46101-R, MAT2013-49375-EXP, MAT2013-45168-R). Financial support is acknowledged by the European Research Council (ERC Advanced Grant # 267867, PLASMAQUO; ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara |
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:140398 |
Serial |
4446 |
Permanent link to this record |
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|
|
Author |
Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. |
Title |
QDB: a new database of plasma chemistries and reactions |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
Volume |
26 |
Issue |
26 |
Pages |
055014 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. |
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 |
000398394500001 |
Publication Date |
2017-04-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.302 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.302 |
Call Number |
PLASMANT @ plasmant @ c:irua:142206 |
Serial |
4549 |
Permanent link to this record |
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|
|
Author |
Ishikawa, K.; Karahashi, K.; Ichiki, T.; Chang, J.P.; George, S.M.; Kessels, W.M.M.; Lee, H.J.; Tinck, S.; Um, J.H.; Kinoshita, K. |
Title |
Progress and prospects in nanoscale dry processes: How can we control atomic layer reactions? |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Japanese journal of applied physics |
Abbreviated Journal |
Jpn J Appl Phys |
Volume |
56 |
Issue |
56 |
Pages |
06HA02 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this review, we discuss the progress of emerging dry processes for nanoscale fabrication. Experts in the fields of plasma processing have contributed to addressing the increasingly challenging demands in achieving atomic-level control of material selectivity and physicochemical reactions involving ion bombardment. The discussion encompasses major challenges shared across the plasma science and technology community. Focus is placed on advances in the development of fabrication technologies for emerging materials, especially metallic and intermetallic compounds and multiferroic, and two-dimensional (2D) materials, as well as state-of-the-art techniques used in nanoscale semiconductor manufacturing with a brief summary of future challenges. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000425887900001 |
Publication Date |
2017-06-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-4922 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.384 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
OpenAccess |
Notes |
The authors would like to thank Drs. Masanobu Honda, Miyako Matsui, Tomohiro Okumura, Tetsuya Tatsumi, Satoshi Hamaguchi, Hiroto Ohtake, Yoshinobu Ohya, Kazunori Shinoda, Masaru Izawa, Hisataka Hayashi, Toshio Hayashi, Makoto Sekine, and Masaru Hori, and all members of the Program and Publication Committee of the 38th International Symposium on Dry Process 2016 held in Sapporo, Japan, as well as Nicholas Altieri and Jeffrey Chang at UCLA for proofreading and providing feedback on the manuscript. |
Approved |
Most recent IF: 1.384 |
Call Number |
PLASMANT @ plasmant @ c:irua:143872 |
Serial |
4576 |
Permanent link to this record |
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Author |
Zarenia, M.; Neilson, D.; Partoens, B.; Peeters, F.M. |
Title |
Wigner crystallization in transition metal dichalcogenides : a new approach to correlation energy |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
95 |
Issue |
95 |
Pages |
115438 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We introduce a new approach for the correlation energy of one- and two-valley two-dimensional electron gas (2DEG) systems. Our approach is based on an interpolation between two limits, a random phase approximation at high densities and a classical approach at low densities which gives excellent agreement with available Quantum Monte Carlo (QMC) calculations. The two-valley 2DEG model is introduced to describe the electron correlations in monolayer transition metal dichalcogenides (TMDs). We study the zero-temperature transition from a Fermi liquid to a quantum Wigner crystal phase in monolayer TMDs. Consistent with QMC, we find that electrons crystallize at r(s) = 31 in one-valley 2DEG. For two valleys, we predict Wigner crystallization at r(s) = 30, implying that valley degeneracy has little effect on the critical r(s), in contrast to an earlier claim. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
Language |
|
Wos |
000399141200003 |
Publication Date |
2017-03-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
|
Notes |
; This work was partially supported by the Flanders Research Foundation (FWO) and the Methusalem program of the Flemish government. D.N. acknowledges support by the University of Camerino FAR project CESEMN. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:142428 |
Serial |
4613 |
Permanent link to this record |
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Author |
Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. |
Title |
UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
Volume |
201 |
Issue |
|
Pages |
145-161 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000409366000009 |
Publication Date |
2017-06-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1359-6640 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.588 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
Not_Open_Access |
Notes |
; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; |
Approved |
Most recent IF: 3.588 |
Call Number |
UA @ lucian @ c:irua:145653 |
Serial |
4757 |
Permanent link to this record |
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Author |
Ren, X.-N.; Hu, Z.-Y.; Jin, J.; Wu, L.; Wang, C.; Liu, J.; Liu, F.; Wu, M.; Li, Y.; Van Tendeloo, G.; Su, B.-L. |
Title |
Cocatalyzing Pt/PtO phase-junction nanodots on hierarchically porous TiO2 for highly enhanced photocatalytic hydrogen production |
Type |
A1 Journal article |
Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
Volume |
9 |
Issue |
35 |
Pages |
29687-29698 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Phase-junctions. between a cocatalyst and its semiconductor host are quite effective to enhance the photo catalytic activity and are widely studied, while reports on the phase-juncted cocatalyst are still rare. In this work, we report the deposition of the Pt/PtO phase-juncted nanodots as cocatalyst via NaOH modification of an interconnected meso-macroporous TiO2 network with high surface area and inner-particle mesopores to enhance the performance of photocatalytic H-2 production. Our results show that NaOH modification can largely influence Pt/PtO phase-juncted nanodot formation and dispersity. Compared to the TiO2 nano particles, the hierarchically meso-macroporous TiO2 network containing 0.18 wt % Pt/PtO phase-juneted cocatalyst demonstrates a highest photocatalytic H-2 rate of 13 mmol g(-1) h(-1) under simulated solar light, and possesses a stable cycling activity without obvious decrease after five cycles. Such high H-2 production performance can be attributed to both the phase-juncted Pt/PtO providing more active sites while PtO suppresses the undesirable hydrogen back reaction, and the special hierarchically porous TiO2 network with inner-particle mesopores presenting short diffusion path lengths for photogenerated electrons and enhanced light harvesting efficiency. This work suggests that Pt/PtO phase-juncted cocatalyst on hierarchically porous TiO2 nanostructures is a promising strategy for advanced photocatalytic H-2 production. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000410597500032 |
Publication Date |
2017-08-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.504 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
18 |
Open Access |
OpenAccess |
Notes |
; B.L.S. acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents”. Y.L. acknowledges the Hubei Provincial Department of Education for the “Chutian Scholar” program. This work is supported by the National Key Research and Development Program of China (2016YFA0202602), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), International Science & Technology Cooperation Program of China (2015DFE52870), National Natural Science Foundation of China (51502225), and the Fundamental Research Funds for the Central Universities (WUT: 2016III029). Z.Y.H. and G.V.T. acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483). ; |
Approved |
Most recent IF: 7.504 |
Call Number |
UA @ lucian @ c:irua:146765 |
Serial |
4779 |
Permanent link to this record |