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Author  |
Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S. |
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Title |
Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
Sci Technol Adv Mat |
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Volume |
14 |
Issue |
1 |
Pages |
014206-14213 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix. |
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Publisher |
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Place of Publication |
Sendai |
Editor |
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Language |
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Wos |
000316463800008 |
Publication Date |
2013-03-13 |
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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 |
1468-6996;1878-5514; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.798 |
Times cited |
6 |
Open Access |
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Notes |
Fwo; Iap; Esteem |
Approved |
Most recent IF: 3.798; 2013 IF: 2.613 |
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Call Number |
UA @ lucian @ c:irua:107343 |
Serial |
77 |
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Author |
Schryvers, D.; Cao, S.; Pourbabak; Shi, H.; Lu |
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Title |
Recent EM investigations on nano-and micro-defect structures in SMAs |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
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Volume |
577 |
Issue |
s:[1] |
Pages |
S705-S709 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The present contribution reviews some recent electron microscopy investigations on different shape memory systems in which a variety of nano- and micro-defect structures play an essential role in the functional behaviour of the material. (NiTi3)-Ti-4 precipitates in Ni-Ti are a well-known example for which the focus is now on the 3D configurations, in Ni-Ti-Nb Nb-rich nanoprecipitates are thought to have a large impact on the hysteresis, in Co-Ni-Al an Al-enriched zone nearby the y'-precipitates yields a small sandwiched austenite while some first signs of quasidynamical lattice deformation in non-frozen Ni-Ti strain glass are measured by Cs-aberration-corrected transmission electron microscopy. (C) 2011 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier science sa |
Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000329891400146 |
Publication Date |
2011-11-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0925-8388; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.133 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.133; 2013 IF: 2.726 |
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Call Number |
UA @ lucian @ c:irua:114832 |
Serial |
2839 |
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Author |
Schryvers, D.; Boullay, P.; Potapov, P.L.; Kohn, R.V.; Ball, J.M. |
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Title |
Microstructures and interfaces in Ni-Al martensite: comparing HRTEM observations with continuum theories |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
International journal of solids and structures |
Abbreviated Journal |
Int J Solids Struct |
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Volume |
39 |
Issue |
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Pages |
3543-3554 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Thesis |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000176752500014 |
Publication Date |
2002-10-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-7683; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.76 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.76; 2002 IF: 1.080 |
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Call Number |
UA @ lucian @ c:irua:48771 |
Serial |
2078 |
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Author |
Schryvers, D.; Boullay, P.; Potapov, P.; Satto, C. |
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Title |
Martensitic transformations studied on nano- and microscopic length scales |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Festkörperprobleme |
Abbreviated Journal |
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Volume |
40 |
Issue |
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Pages |
375-387 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Publisher |
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Place of Publication |
Braunschweig |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
0430-3393 |
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 |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:48376 |
Serial |
1950 |
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| Permanent link to this record |
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Author |
Schryvers, D.; Boullay, P.; Kohn, R.; Ball, J. |
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Title |
Lattice deformations at martensite-martensite interfaces in Ni-Al |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
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Volume |
11 |
Issue |
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Pages |
23-30 |
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Keywords |
A1 Journal article; 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 |
Les Ulis |
Editor |
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Language |
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Wos |
000173253800005 |
Publication Date |
2007-09-14 |
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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 |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
9 |
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:48385 |
Serial |
1800 |
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Author |
Schryvers, D. |
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Title |
Advanced electron microscopy characterisation of important precipitation and ordering phenomena in shape memory systems |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Shape memory and superelasticity |
Abbreviated Journal |
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Volume |
1 |
Issue |
1 |
Pages |
78-84 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The present paper discusses some important aspects of precipitation and ordering in alloy systems that show a martensitic transformation and can or are used as shape memory or superelastic metallic systems. The precipitates are investigated by a variety of conventional and advanced electron microscopy techniques, including atomic resolution, 3D slice-and-view, energy loss spectroscopy etc. Depending on the system, such secondary phases can decrease the probability of a displacive transformation by changing the phase stability in the system, such as in the case of NiAl or NiTiPd, or can mechanically hinder the passage of the transformation interface, as in NiTiNb. On the other hand, properly controlling the nucleation and growth of some precipitates can strongly improve the properties of some types of materials, as is the case for the well-known Ni4Ti3 precipitates. |
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Place of Publication |
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Wos |
000432420400008 |
Publication Date |
2015-04-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2199-384X;2199-3858; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: NA |
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Call Number |
c:irua:127684 |
Serial |
69 |
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Author |
Schryvers, D. |
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Title |
Electron microscopy studies of martensite microstructures |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
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Volume |
C5 |
Issue |
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Pages |
109-118 |
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Keywords |
A1 Journal article; 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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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
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Wos |
000072520300018 |
Publication Date |
2007-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
2 |
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:21348 |
Serial |
968 |
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Author |
Schryvers, D. |
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Title |
Martensitic and bainitic transformations in Ni-Al alloys |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
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Volume |
C2 |
Issue |
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Pages |
225-234 |
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Keywords |
A1 Journal article; 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 |
Les Ulis |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
1155-4339 |
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 |
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Call Number |
UA @ lucian @ c:irua:10014 |
Serial |
1946 |
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| Permanent link to this record |
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Author |
Schryvers, D. |
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Title |
Martensitic and related transformations in Ni-Al alloys |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Journal de physique: 4
T2 – IIIrd European Symposium on Martensitic Transformations (ESOMAT 94), SEP 14-16, 1994, BARCELONA, SPAIN |
Abbreviated Journal |
IIIrd European Symposium on Martensitic Transformations (ESOMAT 94), SEP 14-16, 1994, BARCELONA, SPA |
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Volume |
5 |
Issue |
C2 |
Pages |
225-234 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The present paper gives a review of results of recent studies investigating the fundamentals of the martensitic and related phase transformations in Ni-Al. For the former case, the emphasis will be on the microstructure of martensite plates. The latter include the metastable Ni2Al omega-like and stable Ni5Al3 bainitic phases. These phases will be discussed in view of their atomic structure, nucleation, growth and effect on the martensitic transformation. A separate chapter will deal with precursor effects. |
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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 |
Les Ulis |
Editor |
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Language |
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Wos |
A1995QX40700036 |
Publication Date |
2007-07-12 |
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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 |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
21 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:104437 |
Serial |
1947 |
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Author |
Schryvers, D. |
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Title |
Microtwin sequences in thermoelastic NixAl100-x martensite studied by conventional and high resolution transmission electron microscopy |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
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Volume |
68 |
Issue |
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Pages |
1017-1032 |
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Keywords |
A1 Journal article; 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 |
London |
Editor |
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Language |
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Wos |
A1993MF59100016 |
Publication Date |
2007-07-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0141-8610;1460-6992; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
37 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6779 |
Serial |
2079 |
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Author |
Schryvers, D. |
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Title |
SAED and HREM results suggest a NiTi B19' based superstructure for CuZr martensite |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Journal de physique: colloques, suppléments |
Abbreviated Journal |
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Volume |
5 |
Issue |
8 |
Pages |
1047-1052 |
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Keywords |
A1 Journal article; 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 |
Les Ulis |
Editor |
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Language |
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Wos |
A1995TX21300085 |
Publication Date |
2014-07-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
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Call Number |
UA @ lucian @ c:irua:13168 |
Serial |
2939 |
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Author |
Schrittwieser, S.; Pelaz, B.; Parak, W.J.; Lentijo-Mozo, S.; Soulantica, K.; Dieckhoff, J.; Ludwig, F.; Altantzis, T.; Bals, S.; Schotter, J. |
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Title |
Homogeneous Protein Analysis by Magnetic Core-Shell Nanorod Probes |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
8 |
Issue |
8 |
Pages |
8893-8899 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Studying protein interactions is of vital importance both to fundamental biology research and to medical applications. Here, we report on the experimental proof of a universally applicable label-free homogeneous platform for rapid protein analysis. It is based on optically detecting changes in the rotational dynamics of magnetically agitated core-shell nanorods upon their specific interaction with proteins. By adjusting the excitation frequency, we are able to optimize the measurement signal for each analyte protein size. In addition, due to the locking of the optical signal to the magnetic excitation frequency, background signals are suppressed, thus allowing exclusive studies of processes at the nanoprobe surface only. We study target proteins (soluble domain of the human epidermal growth factor receptor 2 – sHER2) specifically binding to antibodies (trastuzumab) immobilized on the surface of our nanoprobes and demonstrate direct deduction of their respective sizes. Additionally, we examine the dependence of our measurement signal on the concentration of the analyte protein, and deduce a minimally detectable sHER2 concentration of 440 pM. For our homogeneous measurement platform, good dispersion stability of the applied nanoprobes under physiological conditions is of vital importance. To that end, we support our measurement data by theoretical modeling of the total particle-particle interaction energies. The successful implementation of our platform offers scope for applications in biomarker-based diagnostics as well as for answering basic biology questions. |
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Address |
Molecular Diagnostics, AIT Austrian Institute of Technology , Vienna, Austria |
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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 |
English |
Wos |
000374274900007 |
Publication Date |
2016-03-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
16 |
Open Access |
OpenAccess |
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Notes |
The authors thank Frauke Alves, Julia Bode and Fernanda Ramos Gomes from the Max-Planck-Institute of Experimental Medicine in Göttingen for providing the trastuzumab antibody in form of the Herceptin therapeutic drug. The figure showing the measurement principle has been created by Darragh Crotty (www.darraghcrotty.com). Parts of this research were supported by the European Commission FP7 NAMDIATREAM project (EU NMP4-LA-2010−246479), by the German research foundation (DFG grant GRK 1782 to W.J.P.), and by the European Research Council (ERC Starting Grant #335078 Colouratom). B.P. acknowledges a PostDoctoral fellowship from the Alexander von Humboldt foundation. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; |
Approved |
Most recent IF: 7.504 |
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Call Number |
c:irua:132889 |
Serial |
4059 |
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Author |
Schram, J.; Thiruvottriyur Shanmugam, S.; Sleegers, N.; Florea, A.; Samyn, N.; van Nuijs, A.L.N.; De Wael, K. |
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Title |
Local conversion of redox inactive molecules into redox active ones : a formaldehyde based strategy for the electrochemical detection of illicit drugs containing primary and secondary amines |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Electrochimica Acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
367 |
Issue |
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Pages |
137515 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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| |
Abstract |
Electrochemical techniques have evidenced to be highly suitable for the development of portable, rapid and accurate screening methods for the detection of illicit drugs in seized samples. However, the redox inactivity of primary amines, one of the most common functional groups of illicit drugs, masks voltammetric detection in aqueous environment at carbon electrodes and, therefore, leads to false negative results if only these primary amines are present in the structures. This work explores the feasibility of a derivatisation approach that introduces formaldehyde in the measuring conditions in order to achieve methylation, via an Eschweiler-Clarke mechanism, of illicit drugs containing primary and secondary amines, using amphetamine (AMP) and methamphetamine (MET) as model molecules. As a result the electrochemical fingerprint is enriched and thereby the detectability enhanced. A combination of liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOFMS) and square-wave voltammetric (SWV) measurements is employed to identify reaction products and link them to the observed redox peaks. Although an alkaline environment (pH 12.0) proved to increase the reaction yield, a richer electrochemical fingerprint (EF) is obtained in neutral conditions (pH 7.0). Similarly, the addition of formate improved the reaction conversion but reduced the EF by eliminating a redox peak that is attributed to side products formed in the absence of formate. To illustrate the applicability, the derivatisation strategy is applied to several prominent illicit drugs containing primary and secondary amines to demonstrate its EF enriching capabilities. Finally, real street samples from forensic seizures are analysed. Overall, this strategy unlocks the detectability of the hitherto undetectable AMP and other drugs only containing primary amines, while strongly facilitating the identification of MET and analogues. These findings are not limited to illicit drugs, the insights can ultimately be applied to other target molecules containing similar functional groups. (C) 2020 Published by Elsevier Ltd. |
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Address |
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Corporate Author |
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Thesis |
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|
| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000607620700010 |
Publication Date |
2020-11-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.798 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.798 |
|
| |
Call Number |
UA @ admin @ c:irua:176083 |
Serial |
8177 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Schram, J.; Parrilla, M.; Slosse, A.; Van Durme, F.; Åberg, J.; Björk, K.; Bijvoets, S.M.; Sap, S.; Heerschop, M.W.J.; De Wael, K. |
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| |
Title |
Paraformaldehyde-coated electrochemical sensor for improved on-site detection of amphetamine in street samples |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
|
| |
Volume |
179 |
Issue |
|
Pages |
107518-107519 |
|
| |
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
| |
Abstract |
The increasing illicit production, distribution and abuse of amphetamine (AMP) poses a challenge for law enforcement worldwide. To effectively combat this issue, fast and portable tools for the on-site screening of suspicious samples are required. Electrochemical profile (EP)-based sensing of illicit drugs has proven to be a viable option for this purpose as it allows rapid voltammetric measurements via the use of disposable and low-cost graphite screen-printed electrodes (SPEs). In this work, a highly practical paraformaldehyde (PFA)-coated sensor, which unlocks the detectability of primary amines through derivatization, is developed for the on-site detection of AMP in seized drug samples. A potential interval was defined at the sole AMP peak (which is used for identification of the target analyte) to account for potential shifts due to fluctuations in concentration and temperature, which are relevant factors for on-site use. Importantly, it was found that AMP detection was not hindered by the presence of common diluents and adulterants such as caffeine, even when present in high amounts. When inter-drug differentiation is desired, a simultaneous second test with the same solution on an unmodified electrode is introduced to provide the required additional electrochemical information. Finally, the concept was validated by analyzing 30 seized AMP samples (reaching a sensitivity of 96.7 %) and comparing its performance to that of commercially available Raman and Fourier Transform Infrared (FTIR) devices. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000809675500010 |
Publication Date |
2022-04-26 |
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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 |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:188454 |
Serial |
8910 |
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| Permanent link to this record |
| |
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| |
|
Author |
Schram, J.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van den Berg, J.; van Nuijs, A.L.N.; De Wael, K. |
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| |
Title |
Electrochemical profiling and liquid chromatography–mass spectrometry characterization of synthetic cathinones : from methodology to detection in forensic samples |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Drug Testing And Analysis |
Abbreviated Journal |
Drug Test Anal |
|
| |
Volume |
13 |
Issue |
7 |
Pages |
1282-1294 |
|
| |
Keywords |
A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
|
| |
Abstract |
The emergence of new psychoactive drugs in the market demands rapid and accurate tools for the on‐site classification of illegal and legal compounds with similar structures. Herein, a novel method for the classification of synthetic cathinones (SC) is presented based on their electrochemical profile. First, the electrochemical profile of five common SC (i.e., mephedrone, ethcathinone, methylone, butylone and 4‐chloro‐alpha‐pyrrolidinovalerophenone) is collected to build calibration curves using square wave voltammetry on graphite screen‐printed electrodes (SPE). Second, the elucidation of the oxidation pathways, obtained by liquid chromatography‐high resolution mass spectrometry, allows the pairing of the oxidation products to the SC electrochemical profile, providing a selective and robust classification. Additionally, the effect of common adulterants and illicit drugs on the electrochemical profile of the SC is explored. Interestingly, a cathodic pretreatment of the SPE allows the selective detection of each SC in presence of electroactive adulterants. Finally, the electrochemical approach is validated with gas‐chromatography‐mass spectrometry by analyzing 26 confiscated samples from seizures and illegal webshops. Overall, the electrochemical method exhibits a successful classification of SC including structural derivatives, a crucial attribute in an ever‐diversifying drug market. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000624902500001 |
Publication Date |
2021-02-24 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1942-7603; 1942-7611 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.469 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.469 |
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| |
Call Number |
UA @ admin @ c:irua:175583 |
Serial |
7863 |
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| Permanent link to this record |
| |
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| |
|
Author |
Schram, J.; Parrilla, M.; Sleegers, N.; Samyn, N.; Bijvoets, S.M.; Heerschop, M.W.J.; van Nuijs, A.L.N.; De Wael, K. |
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| |
Title |
Identifying Electrochemical Fingerprints of Ketamine with Voltammetry and Liquid Chromatography–Mass Spectrometry for Its Detection in Seized Samples |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
92 |
Issue |
19 |
Pages |
13485-13492 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
|
| |
Abstract |
Herein, a straightforward electrochemical approach for the determination of ketamine in street samples and seizures is presented by employing screen-printed electrodes (SPE). Square wave voltammetry (SWV) is used to study the electrochemical behavior of the illicit drug, thus profiling the different oxidation states of the substance at different pHs. Besides, the oxidation pathway of ketamine on SPE is investigated for the first time with liquid chromatography–high-resolution mass spectrometry. Under the optimized conditions, the calibration curve of ketamine at buffer solution (pH 12) exhibits a sensitivity of 8.2 μA μM–1, a linear relationship between 50 and 2500 μM with excellent reproducibility (RSD = 2.2%, at 500 μM, n = 7), and a limit of detection (LOD) of 11.7 μM. Subsequently, binary mixtures of ketamine with adulterants and illicit drugs are analyzed with SWV to investigate the electrochemical fingerprint. Moreover, the profile overlapping between different substances is addressed by the introduction of an electrode pretreatment and the integration of a tailor-made script for data treatment. Finally, the approach is tested on street samples from forensic seizures. Overall, this system allows for the on-site identification of ketamine by law enforcement agents in an easy-to-use and rapid manner on cargos and seizures, thereby disrupting the distribution channel and avoiding the illicit drug reaching the end-user. |
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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 |
000580426800091 |
Publication Date |
2020-10-06 |
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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 |
0003-2700 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
|
| |
Notes |
Universiteit Antwerpen; H2020 Societal Challenges, 833787 ; Fonds Wetenschappelijk Onderzoek, 1S3765817N 1SB8120N ; |
Approved |
Most recent IF: 7.4; 2020 IF: 6.32 |
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| |
Call Number |
AXES @ axes @c:irua:170523 |
Serial |
6435 |
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| Permanent link to this record |
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| |
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Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
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| |
Title |
Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
86 |
Issue |
|
Pages |
112102 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000228050700042 |
Publication Date |
2005-03-04 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
15 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
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| |
Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
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| Permanent link to this record |
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| |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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| |
Title |
Calculation of Debye-Waller temperature factors for GaAs |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Springer proceedings in physics |
Abbreviated Journal |
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| |
Volume |
120 |
Issue |
|
Pages |
195-198 |
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| |
Keywords |
A1 Journal article; 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 |
Berlin |
Editor |
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Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0930-8989 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:73966 |
Serial |
266 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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| |
Title |
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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| |
Volume |
65 |
Issue |
1 |
Pages |
5-17 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. |
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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 |
Copenhagen |
Editor |
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| |
Language |
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Wos |
000261799500002 |
Publication Date |
2008-11-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
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 |
51 |
Open Access |
|
|
| |
Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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| |
Call Number |
UA @ lucian @ c:irua:72918 |
Serial |
453 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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| |
Title |
Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
|
| |
Volume |
65 |
Issue |
|
Pages |
227-231 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
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| |
Language |
|
Wos |
000264927100006 |
Publication Date |
2009-03-12 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0108-7673; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.725 |
Times cited |
23 |
Open Access |
|
|
| |
Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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| |
Call Number |
UA @ lucian @ c:irua:74565 |
Serial |
3497 |
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| Permanent link to this record |
| |
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| |
|
Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
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| |
Title |
Ab initio computation of the mean inner Coulomb potential of technological important semiconductors |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
|
Abbreviated Journal |
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|
| |
Volume |
1007 |
Issue |
|
Pages |
233-236 |
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| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (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 |
Berlin |
Editor |
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| |
Language |
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Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0930-8989 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:72915 |
Serial |
32 |
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| Permanent link to this record |
| |
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| |
|
Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
|
| |
Title |
Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
88 |
Issue |
23 |
Pages |
Artn 232108 |
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| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000238914500031 |
Publication Date |
2006-06-19 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
|
| |
Call Number |
UA @ lucian @ c:irua:60581 |
Serial |
33 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. |
|
| |
Title |
First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
85 |
Issue |
21 |
Pages |
4938-4940 |
|
| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000225300600037 |
Publication Date |
2004-11-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2004 IF: 4.308 |
|
| |
Call Number |
UA @ lucian @ c:irua:49657 |
Serial |
1203 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Schouteden, K.; Zeng, Y.-J.; Lauwaet, K.; Romero, C.P.; Goris, B.; Bals, S.; Van Tendeloo, G.; Lievens, P.; Van Haesendonck, C. |
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| |
Title |
Band structure quantization in nanometer sized ZnO clusters |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
5 |
Issue |
9 |
Pages |
3757-3763 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Nanometer sized ZnO clusters are produced in the gas phase and subsequently deposited on clean Au(111) surfaces under ultra-high vacuum conditions. The zinc blende atomic structure of the approximately spherical ZnO clusters is resolved by high resolution scanning transmission electron microscopy. The large band gap and weak n-type conductivity of individual clusters are determined by scanning tunnelling microscopy and spectroscopy at cryogenic temperatures. The conduction band is found to exhibit clear quantization into discrete energy levels, which can be related to finite-size effects reflecting the zero-dimensional confinement. Our findings illustrate that gas phase cluster production may provide unique possibilities for the controlled fabrication of high purity quantum dots and heterostructures that can be size selected prior to deposition on the desired substrate under controlled ultra-high vacuum conditions. |
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
| |
Language |
|
Wos |
000317859400026 |
Publication Date |
2013-03-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.367 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
FWO; Hercules; COUNTATOMS |
Approved |
Most recent IF: 7.367; 2013 IF: 6.739 |
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Call Number |
UA @ lucian @ c:irua:108518 |
Serial |
219 |
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Author |
Schouteden, K.; Li, Z.; Chen, T.; Song, F.; Partoens, B.; Van Haesendonck, C.; Park, K. |
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Title |
Moire superlattices at the topological insulator Bi2Te3 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
6 |
Issue |
6 |
Pages |
20278 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report on the observation of complex superlattices at the surface of the topological insulator Bi2Te3. Scanning tunneling microscopy reveals the existence of two different periodic structures in addition to the Bi2Te3 atomic lattice, which is found to strongly affect the local electronic structure. These three different periodicities are interpreted to result from a single small in-plane rotation of the topmost quintuple layer only. Density functional theory calculations support the observed increase in the DOS near the Fermi level, and exclude the possibility that strain is at the origin of the observed Moire pattern. Exploration of Moire superlattices formed by the quintuple layers of topological insulators holds great potential for further tuning of the properties of topological insulators. |
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Corporate Author |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000369543200001 |
Publication Date |
2016-02-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
14 |
Open Access |
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Notes |
; The research in Leuven and Antwerp has been supported by the Research Foundation – Flanders (FWO, Belgium). The research in Leuven received additional support from the Flemish Concerted Research Action program (BOF KU Leuven, Project No. GOA/14/007). Z.L. thanks the China Scholarship Council for financial support (No. 2011624021). K.S. acknowledges support from the FWO. K.P. was supported by U.S. National Science Foundation DMR-1206354 and San Diego Supercomputer Center (SDSC) Trestles under DMR060009N. T.C. and F.S. acknowledge the financial support of the National Key Projects for Basic Research of China (Grant Nos: 2013CB922103), the National Natural Science Foundation of China (Grant Nos: 91421109, 11522432), the PAPD project, and the Natural Science Foundation of Jiangsu Province (Grant BK20130054). ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:131612 |
Serial |
4208 |
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Author |
Schouteden, K.; Govaerts, K.; Debehets, J.; Thupakula, U.; Chen, T.; Li, Z.; Netsou, A.; Song, F.; Lamoen, D.; Van Haesendonck, C.; Partoens, B.; Park, K. |
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Title |
Annealing-Induced Bi Bilayer on Bi2Te3 Investigated via Quasi-Particle-Interference Mapping |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
10 |
Issue |
10 |
Pages |
8778-8787 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Topological insulators (TIs) are renowned for their exotic topological surface states (TSSs) that reside in the top atomic layers, and hence, detailed knowledge of the surface top atomic layers is of utmost importance. Here we present the remarkable morphology changes of Bi2Te3 surfaces, which have been freshly cleaved in air, upon subsequent systematic annealing in ultrahigh vacuum and the resulting effects on the local and area-averaging electronic properties of the surface states, which are investigated by combining scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and Auger electron spectroscopy (AES) experiments with density functional theory (DFT) calculations. Our findings demonstrate that the annealing induces the formation of a Bi bilayer atop the Bi2Te3 surface. The adlayer results in n-type doping, and the atomic defects act as scattering centers of the TSS electrons. We also investigated the annealing-induced Bi bilayer surface on Bi2Te3 via voltage-dependent quasi-particle-interference (QPI) mapping of the surface local density of states and via comparison with the calculated constant-energy contours and QPI patterns. We observed closed hexagonal patterns in the Fourier transform of real-space QPI maps with secondary outer spikes. DFT calculations attribute these complex QPI patterns to the appearance of a “second” cone due to the surface charge transfer between the Bi bilayer and the Bi2Te3. Annealing in ultrahigh vacuum offers a facile route for tuning of the topological properties and may yield similar results for other topological materials. |
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Address |
Department of Physics, Virginia Tech , Blacksburg, Virginia 24061, United States |
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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 |
English |
Wos |
000384399300073 |
Publication Date |
2016-09-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
15 |
Open Access |
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Notes |
The research in Leuven and Antwerp was supported by the Research FoundationFlanders (FWO, Belgium). The research in Leuven received additional support from the Flemish Concerted Research Action Program (BOF KULeuven, Project GOA/14/007) and the KULeuven Project GOA “Fundamental Challenges in Semiconductor Research”. Z.L. acknowledges the support from the China Scholarship Council (2011624021) and from KU Leuven Internal Funds (PDM). K.S. and J.D. acknowledge additional support from the FWO. T.C. and F.S. acknowledge the financial support of the National Key Projects for Basic Research of China (Grants 2013CB922103 and 2011CB922103), the National NaturalScience Foundation of China (Grant s 91421109, 11134005,11522432, and 11274003), the Natural Science Foundation ofJiangsu Province (Grant BK20130054), and the FundamentalResearch Funds for the Central Universities. K.P. wassupported by the U.S. National Science Foundation (DMR-1206354) and San Diego Supercomputer Center (SDSC)Comet and Gordon (DMR060009N). |
Approved |
Most recent IF: 13.942 |
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Call Number |
EMAT @ emat @ c:irua:136269 |
Serial |
4294 |
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Author |
Schouteden, K.; Amin-Ahmadi, B.; Li, Z.; Muzychenko, D.; Schryvers, D.; Van Haesendonck, C. |
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Title |
Electronically decoupled stacking fault tetrahedra embedded in Au(111) films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
7 |
Issue |
7 |
Pages |
14001 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Stacking faults are known as defective structures in crystalline materials that typically lower the structural quality of the material. Here, we show that a particular type of defects, i.e., stacking fault tetrahedra (SFTs), exhibits quantized, particle-in-a-box electronic behaviour, revealing a potential synthetic route to decoupled nanoparticles in metal films. We report on the electronic properties of SFTs that exist in Au(111) films, as evidenced by scanning tunnelling microscopy and confirmed by transmission electron microscopy. We find that the SFTs reveal a remarkable decoupling from their metal surroundings, leading to pronounced energy level quantization effects within the SFTs. The electronic behaviour of the SFTs can be described well by the particle-in-a-box model. Our findings demonstrate that controlled preparation of SFTs may offer an alternative way to achieve well decoupled nanoparticles of high crystalline quality in metal thin films without the need of thin insulating layers. |
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Corporate Author |
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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 |
000390367700001 |
Publication Date |
2016-12-23 |
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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 |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
7 |
Open Access |
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Notes |
The research in Leuven has been supported by the Research Foundation – Flanders (FWO, Belgium), and by the Flemish Concerted Research Action program (BOF KU Leuven, Project No. GOA/14/007). Z.L. acknowledges the support from the China Scholarship Council (No. 2011624021) and from Internal Funds KU Leuven. K.S. acknowledges additional support from the FWO. The research in Moscow has been supported by grants of the Russian Foundation for Basic Research (RFBR). |
Approved |
Most recent IF: 12.124 |
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Call Number |
EMAT @ emat @ c:irua:138983 |
Serial |
4336 |
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Author |
Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. |
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Title |
Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
15 |
Issue |
36 |
Pages |
15091-15097 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000323520600029 |
Publication Date |
2013-07-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076;1463-9084; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
3 |
Open Access |
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Notes |
; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. This work was carried out using the Turing HPC infrastructure 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 and the Universiteit Antwerpen. ; |
Approved |
Most recent IF: 4.123; 2013 IF: 4.198 |
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Call Number |
UA @ lucian @ c:irua:110793 |
Serial |
3130 |
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Author |
Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. |
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Title |
Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
118 |
Issue |
118 |
Pages |
104306 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We perform first-principles calculations to investigate the preferred positions of B and P dopants, both neutral and in their preferred charge state, in Si and Si/SiO2 core-shell nanowires (NWs). In order to understand the observed trends in the formation energy, we isolate the different effects that determine these formation energies. By making the distinction between the unrelaxed and the relaxed formation energy, we separate the impact of the relaxation from that of the chemical environment. The unrelaxed formation energies are determined by three effects: (i) the effect of strain caused by size mismatch between the dopant and the host atoms, (ii) the local position of the band edges, and (iii) a screening effect. In the case of the SiNW (Si/SiO2 NW), these effects result in an increase of the formation energy away from the center (interface). The effect of relaxation depends on the relative size mismatch between the dopant and host atoms. A large size mismatch causes substantial relaxation that reduces the formation energy considerably, with the relaxation being more pronounced towards the edge of the wires. These effects explain the surface segregation of the B dopants in a SiNW, since the atomic relaxation induces a continuous drop of the formation energy towards the edge. However, for the P dopants, the formation energy starts to rise when moving from the center but drops to a minimum just next to the surface, indicating a different type of behavior. It also explains that the preferential location for B dopants in Si/SiO2 core-shell NWs is inside the oxide shell just next to the interface, whereas the P dopants prefer the positions next to the interface inside the Si core, which is in agreement with recent experiments. These preferred locations have an important impact on the electronic properties of these core-shell NWs. Our simulations indicate the possibility of hole gas formation when B segregates into the oxide shell. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000361636900031 |
Publication Date |
2015-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
This work was carried out using the Turing HPC infrastructure 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 and the Universiteit Antwerpen. |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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Call Number |
c:irua:128729 |
Serial |
4056 |
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Author |
Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M. |
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Title |
Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
045413 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000348762200011 |
Publication Date |
2015-01-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
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Notes |
; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:123866 |
Serial |
1377 |
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