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Author |
Amin-Ahmadi, B. |
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Title |
Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale |
Type |
Doctoral thesis |
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Year |
2015 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Call Number |
UA @ lucian @ c:irua:125236 |
Serial |
56 |
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Author |
Zhang, L. |
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Title |
Effects of quantum confinement in nanoscale superconductors : from electronic density of states to vortex matter |
Type |
Doctoral thesis |
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Year |
2015 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Call Number |
UA @ lucian @ c:irua:126085 |
Serial |
870 |
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Author |
Sivek, J. |
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Title |
First-principles characterization and functionalization of graphene-like materials |
Type |
Doctoral thesis |
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Year |
2015 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Antwerpen |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:125632 |
Serial |
1204 |
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Author |
Govaerts, K. |
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Title |
First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures |
Type |
Doctoral thesis |
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Year |
2015 |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:126206 |
Serial |
1218 |
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Author |
Sarmadian, N. |
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Title |
Identification of thin-film photovoltaic cell materials based on high-throughput first-principles calculations |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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0000-00-00 |
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Call Number |
UA @ lucian @ c:irua:126078 |
Serial |
1551 |
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Author |
Roose, D. |
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Title |
Magnetic resonance imaging and electron microscopy of iron oxide particles in the brain |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Universiteit Antwerpen, Faculteit Farmaceutische, Biomedische en Diergeneeskundige Wetenschappen, Departement Biomedische Wetenschappen |
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Antwerpen |
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0000-00-00 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:123897 |
Serial |
1889 |
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Author |
Grujić, M.M. |
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Title |
Manifestations of intrinsic and induced magnetic properties of graphene nanostructures |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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University of Antwerp, Faculty of Sciences, Department of Physics |
Place of Publication |
Antwerp |
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0000-00-00 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:126212 |
Serial |
1939 |
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Author |
de Backer, A. |
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Title |
Quantitative atomic resolution electron microscopy using advanced statistical techniques |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Place of Publication |
Antwerpen |
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0000-00-00 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:125636 |
Serial |
2747 |
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Author |
Martínez Alanis, G.T. |
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Title |
Quantitative model-based high angle annular dark field scanning transmission electron microscopy |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT); Engineering Management (ENM) |
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Place of Publication |
Antwerpen |
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Publication Date |
0000-00-00 |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:122528 |
Serial |
2759 |
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Author |
da Costa, D.R. |
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Title |
Transport and confinement in monolayer and bilayer graphene nanostructures with different edges, interfaces and potentials |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Pages |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Place of Publication |
Antwerpen |
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Wos |
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Publication Date |
0000-00-00 |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:125274 |
Serial |
3722 |
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Author |
Schoeters, B. |
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Title |
An ab initio study of the properties of doped semiconducting nanwires |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Antwerpen |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:128354 |
Serial |
4133 |
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Author |
Verreck, D.; Van de Put, M.L.; Verhulst, A.S.; Sorée, B.; Magnus, W.; Dabral, A.; Thean, A.; Groeseneken, G. |
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Title |
15-band spectral envelope function formalism applied to broken gap tunnel field-effect transistors |
Type |
P1 Proceeding |
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Year |
2015 |
Publication |
18th International Workshop On Computational Electronics (iwce 2015) |
Abbreviated Journal |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
A carefully chosen heterostructure can significantly boost the performance of tunnel field-effect transistors (TFET). Modelling of these hetero-TFETs requires a quantum mechanical (QM) approach with an accurate band structure to allow for a correct description of band-to-band-tunneling. We have therefore developed a fully QM 2D solver, combining for the first time a full zone 15-band envelope function formalism with a spectral approach, including a heterostructure basis set transformation. Simulations of GaSb/InAs broken gap TFETs illustrate the wide body capabilities and transparant transmission analysis of the formalism. |
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Ieee |
Place of Publication |
New york |
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Wos |
000380398200055 |
Publication Date |
2015-10-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
978-0-692-51523-5 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:134998 |
Serial |
4131 |
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| Permanent link to this record |
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Author |
Moors, K.; Sorée, B.; Magnus, W. |
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Title |
Analytic solution of Ando's surface roughness model with finite domain distribution functions |
Type |
P1 Proceeding |
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Year |
2015 |
Publication |
18th International Workshop On Computational Electronics (iwce 2015) |
Abbreviated Journal |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
Ando's surface roughness model is applied to metallic nanowires and extended beyond small roughness size and infinite barrier limit approximations for the wavefunction overlaps, such as the Prange-Nee approximation. Accurate and fast simulations can still be performed without invoking these overlap approximations by averaging over roughness profiles using finite domain distribution functions to obtain an analytic solution for the scattering rates. The simulations indicate that overlap approximations, while predicting a resistivity that agrees more or less with our novel approach, poorly estimate the underlying scattering rates. All methods show that a momentum gap between left- and right-moving electrons at the Fermi level, surpassing a critical momentum gap, gives rise to a substantial decrease in resistivity. |
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Ieee |
Place of Publication |
New york |
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Wos |
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Publication Date |
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Series Editor |
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Abbreviated Series Title |
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Edition |
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ISSN |
978-0-692-51523-5 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:134996 |
Serial |
4140 |
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Author |
Somers, W. |
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Title |
Atomic scale simulations of the interactions of plasma species on nickel catalyst surfaces |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Antwerpen |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:127915 |
Serial |
4142 |
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Author |
Kurttepeli, M. |
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Title |
Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:130502 |
Serial |
4145 |
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Author |
Van Boxem, R. |
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Title |
Electron vortex beams : an in-depth theoretical study |
Type |
Doctoral thesis |
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Year |
2015 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:132968 |
Serial |
4168 |
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Author |
Guzzinati, G. |
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Title |
Exploring electron beam shaping in transmission electron microscopy |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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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 |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
|
|
| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:130499 |
Serial |
4180 |
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| Permanent link to this record |
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Author |
Van Havenbergh, K. |
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| |
Title |
Influence of silicon nanoparticle coating on the electrolyte decomposition in Li-ion batteries |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
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Issue |
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Pages |
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| |
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 |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:131647 |
Serial |
4196 |
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| Permanent link to this record |
| |
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| |
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Author |
Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B.; Fischetti, M.V. |
|
| |
Title |
Modeling of inter-ribbon tunneling in graphene |
Type |
P1 Proceeding |
| |
Year |
2015 |
Publication |
18th International Workshop On Computational Electronics (iwce 2015) |
Abbreviated Journal |
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| |
Volume |
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Issue |
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Pages |
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| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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| |
Abstract |
The tunneling current between two crossed graphene ribbons is described invoking the empirical pseudopotential approximation and the Bardeen transfer Hamiltonian method. Results indicate that the density of states is the most important factor determining the tunneling current between small (similar to nm) ribbons. The quasi-one dimensional nature of graphene nanoribbons is shown to result in resonant tunneling. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Ieee |
Place of Publication |
New york |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
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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 |
978-0-692-51523-5 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:134997 |
Serial |
4206 |
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| Permanent link to this record |
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Author |
Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al. |
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| |
Title |
Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations |
Type |
P1 Proceeding |
| |
Year |
2015 |
Publication |
The conference record of the IEEE Photovoltaic Specialists Conference
T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA |
Abbreviated Journal |
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| |
Volume |
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Issue |
|
Pages |
|
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| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Ieee |
Place of Publication |
New york |
Editor |
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Language |
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Wos |
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Publication Date |
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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 |
978-1-4799-7944-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:132335 |
Serial |
4229 |
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| Permanent link to this record |
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Author |
Altantzis, T. |
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| |
Title |
Three-dimensional characterization of atomic clusters, nanoparticles and their assemblies by advanced transmission electron microscopy |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
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Pages |
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| |
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 |
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Wos |
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Publication Date |
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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 |
|
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:130493 |
Serial |
4265 |
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| Permanent link to this record |
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Author |
De Vis, K.; Janssens, K.; Jacobs, P.; Caen, J. |
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Title |
Dealing with architectural glasses : maintenance, monitoring and emergency treatment |
Type |
P3 Proceeding |
| |
Year |
2015 |
Publication |
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Abbreviated Journal |
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| |
Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
|
ISBN |
978-2-9543731-1-9 |
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:126833 |
Serial |
5565 |
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| Permanent link to this record |
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Author |
Caen, J.; Legrand, S.; van der Snickt, G.; Janssens, K. |
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Title |
Macro X-ray fluorescence (MA-XRF) scanning : a new and efficient method for documenting stained-glass panels |
Type |
P3 Proceeding |
| |
Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
|
ISBN |
978-2-9543731-1-9 |
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:126832 |
Serial |
5697 |
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| Permanent link to this record |
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Author |
Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S. |
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Title |
Plasmacatalysis : a sustainable and efficient indoor air treatment |
Type |
P3 Proceeding |
| |
Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:127488 |
Serial |
5984 |
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| Permanent link to this record |
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Author |
Grieten, E.; Storme, P.; Caen, J.; Schalm, O.; Schryvers, D. |
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Title |
Application of atmospheric plasma-jets for the conservation of cultural heritage |
Type |
P3 Proceeding |
| |
Year |
2015 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES) |
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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 |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:149629 |
Serial |
7466 |
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| Permanent link to this record |
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Author |
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. |
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Title |
Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
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| |
Volume |
4 |
Issue |
4 |
Pages |
N3127-N3133 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
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| |
Language |
|
Wos |
000349547900018 |
Publication Date |
2014-11-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
2162-8769;2162-8777; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.787 |
Times cited |
19 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.787; 2015 IF: 1.558 |
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| |
Call Number |
c:irua:125296 |
Serial |
1150 |
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| Permanent link to this record |
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Author |
van Oeffelen, L.; Van Roy, W.; Idrissi, H.; Charlier, D.; Lagae, L.; Borghs, G. |
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| |
Title |
Ion current rectification, limiting and overlimiting conductances in nanopores |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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| |
Volume |
10 |
Issue |
10 |
Pages |
e0124171 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Previous reports on Poisson-Nernst-Planck (PNP) simulations of solid-state nanopores have focused on steady state behaviour under simplified boundary conditions. These are Neumann boundary conditions for the voltage at the pore walls, and in some cases also Donnan equilibrium boundary conditions for concentrations and voltages at both entrances of the nanopore. In this paper, we report time-dependent and steady state PNP simulations under less restrictive boundary conditions, including Neumann boundary conditions applied throughout the membrane relatively far away from the nanopore. We simulated ion currents through cylindrical and conical nanopores with several surface charge configurations, studying the spatial and temporal dependence of the currents contributed by each ion species. This revealed that, due to slow co-diffusion of oppositely charged ions, steady state is generally not reached in simulations or in practice. Furthermore, it is shown that ion concentration polarization is responsible for the observed limiting conductances and ion current rectification in nanopores with asymmetric surface charges or shapes. Hence, after more than a decade of collective research attempting to understand the nature of ion current rectification in solid-state nanopores, a relatively intuitive model is retrieved. Moreover, we measured and simulated current-voltage characteristics of rectifying silicon nitride nanopores presenting overlimiting conductances. The similarity between measurement and simulation shows that overlimiting conductances can result from the increased conductance of the electric double-layer at the membrane surface at the depletion side due to voltage-induced polarization charges. |
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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 |
000354916100012 |
Publication Date |
2015-05-15 |
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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 |
|
Edition |
|
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| |
ISSN |
1932-6203; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.806 |
Times cited |
11 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 2.806; 2015 IF: 3.234 |
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Call Number |
c:irua:126366 |
Serial |
1744 |
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| Permanent link to this record |
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Author |
McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; |
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Title |
Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
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| |
Volume |
162 |
Issue |
162 |
Pages |
A1341-A1351 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. 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 |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000355643700030 |
Publication Date |
2015-04-29 |
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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 |
0013-4651;1945-7111; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.259 |
Times cited |
23 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.259; 2015 IF: 3.266 |
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| |
Call Number |
c:irua:126445 |
Serial |
2903 |
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| Permanent link to this record |
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Author |
Kamaraj, B.; Bogaerts, A. |
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Title |
Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
|
| |
Volume |
10 |
Issue |
10 |
Pages |
e0134638 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer. |
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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 |
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Wos |
000359061400096 |
Publication Date |
2015-08-05 |
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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 |
1932-6203; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.806 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.806; 2015 IF: 3.234 |
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| |
Call Number |
c:irua:126779 |
Serial |
3278 |
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Author |
Yao, X.; Cao, S.; Zhang, X.P.; Schryvers, D. |
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Title |
Microstructural Characterization and Transformation Behavior of Porous Ni50.8Ti49.2 |
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P1 Proceeding |
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Year |
2015 |
Publication |
Materials Today: Proceedings |
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Volume |
2 |
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2 |
Pages |
S833-S836 |
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Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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Abstract |
Porous Ni50.8Ti49.2 bulk material was prepared by powder metallurgy sintering. Solid solution and aging treatments were applied to improve the phase homogeneity and phase transformation behavior. Scanning and transmission electron microscopy, aided by energy dispersive X-ray analysis, were used to study the microstructure and chemical phase content of the alloys. In-situ cooling was carried out to observe the phase transformation behavior. As-received material contains dispersed Ni2Ti4O particles while Ni4Ti3 precipitates appear after aging. Close to pore edges, the latter have a preferential orientation due to the induced stress fields in the matrix. |
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Wos |
000371032100081 |
Publication Date |
2015-11-05 |
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ISSN |
2214-7853 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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Notes |
The author gratefully acknowledges the Chinese Scholarship Council (CSC) for providing a scholarship and the Key Project of the Natural Science Foundation of Guangdong Province under grant No. S2013020012805. |
Approved |
Most recent IF: NA |
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Call Number |
c:irua:129980 |
Serial |
3989 |
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