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Records |
Links |
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Author |
Buschmann, V.; Fedina, L.; Rodewald, M.; Van Tendeloo, G. |
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Title |
A new model for the (2x1) reconstructed CoSi2-Si(100) interface |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Philosophical magazine letters |
Abbreviated Journal |
Phil Mag Lett |
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Volume |
77 |
Issue |
3 |
Pages |
147-151 |
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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 |
000072112000004 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0950-0839;1362-3036; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.941 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.941; 1998 IF: 1.152 |
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Call Number |
UA @ lucian @ c:irua:25655 |
Serial |
2326 |
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Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M.; Perkisas, T.; d' Hondt, H.; Tan, H.; Verbeeck, J.; Filonenko, V.P.; Antipov, E.V.; Van Tendeloo, G. |
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Title |
New perovskite-based manganite Pb2Mn2O5 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
183 |
Issue |
183 |
Pages |
2190-2195 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new perovskite based compound Pb2Mn2O5 has been synthesized using a high pressure high temperature technique. The structure model of Pb2Mn2O5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1)Å≈√2a p p p (a p the parameter of the perovskite subcell) and space group Pnma. The Pb2Mn2O5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (1̄01) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO5 distorted tetragonal pyramids. The chains of MnO5 pyramids and the MnO6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations (left L and right R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -LRLR-sequence. The sequence is sometimes locally violated by the appearance of -LL- or -RR-fragments. A scheme is proposed with a JahnTeller distortion of the MnO6 octahedra with two long and two short bonds lying in the ac plane, along two perpendicular orientations within this plane, forming a d-type pattern. |
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Corporate Author |
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Place of Publication |
London |
Editor |
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Wos |
000282139600041 |
Publication Date |
2010-07-25 |
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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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
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Notes |
Fwo; Bof; Esteem 026019 |
Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
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Call Number |
UA @ lucian @ c:irua:85472UA @ admin @ c:irua:85472 |
Serial |
2332 |
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Permanent link to this record |
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Author |
Khasanova, N.R.; Van Tendeloo, G.; Lebedev, O.I.; Amelinckx, S.; Grippa, A.Y.; Abakumov, A.M.; Istomin, S.Y.; D'yachenko, O.G.; Antipov, E.V. |
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Title |
A new structure type of the ternary sulfide Eu1.3Nb1.9S5 |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
164 |
Issue |
2 |
Pages |
345-353 |
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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 |
000174848000020 |
Publication Date |
2002-10-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2002 IF: 1.671 |
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Call Number |
UA @ lucian @ c:irua:54714 |
Serial |
2334 |
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Permanent link to this record |
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Author |
Yin, S.; Tian, H.; Ren, Z.; Wei, X.; Chao, C.; Pei, J.; Li, X.; Xu, G.; Shen, G.; Han, G. |
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Title |
Octahedral-shaped perovskite nanocrystals and their visible-light photocatalytic activity |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
50 |
Issue |
45 |
Pages |
6027-6030 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Octahedral-shaped perovskite PbTiO3 nanocrystals (PT OCT) with well-defined {111} facets exposed have been successfully synthesized via a facile hydrothermal method by using LiNO3 as an ion surfactant. The Li-O bond on the surface of PT OCT nanocrystals is essential to the stability of such nanocrystals and also results in a dramatic high visible-light photocatalytic activity. |
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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 |
000335984700022 |
Publication Date |
2014-04-15 |
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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 |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:117690 |
Serial |
2428 |
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Permanent link to this record |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
On the mechanism of {111}-defect formation in silicon studies by in situ electrin irradiation in a high resolution electron microscope |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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Volume |
77 |
Issue |
2 |
Pages |
423-435 |
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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 |
000071976400010 |
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 |
0141-8610; 1364-2804 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
23 |
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:29671 |
Serial |
2440 |
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Permanent link to this record |
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Author |
Balzuweit, K.; Meekes, H.; Van Tendeloo, G.; de Boer, J.L. |
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Title |
On the relationship between morphology, composition and structure of Al-Cu-Fe crystals and quasicrystals |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties |
Abbreviated Journal |
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Volume |
67 |
Issue |
4 |
Pages |
513-532 |
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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 |
A1993LA91100005 |
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 |
1364-2812;1463-6417; |
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 |
10 |
Open Access |
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Notes |
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Approved |
COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 # |
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Call Number |
UA @ lucian @ c:irua:6828 |
Serial |
2451 |
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Permanent link to this record |
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Author |
Simoen, E.; Loo, R.; Claeys, C.; de Gryse, O.; Clauws, P.; van Landuyt, J.; Lebedev, O. |
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Title |
Optical spectroscopy of oxygen precipitates in heavily doped p-type silicon |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Journal of physics : condensed matter
T2 – Conference on Extended Defects in Semiconductors (EDS 2002), JUN 01-06, 2002, BOLOGNA, ITALY |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
14 |
Issue |
48 |
Pages |
13185-13193 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Results are presented on the photoluminescence (PL) characterization of heavily doped p(+) Czochralski silicon, which has been subjected to a two-step, oxygen precipitation heat treatment. It will be shown that the presence of oxygen precipitates gives rise to the D1, D2 and D5 lines, where the energy of the D1 line shifts to lower values for a stronger degree of precipitation. The occurrence of these PL features is also a function of the boron concentration in the p(+) material. The PL results are compared with Fourier transform infrared absorption data and with transmission electron microscope, results. From this, it is concluded that PL has a good potential for use in the assessment of oxygen precipitation in heavily doped silicon. |
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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 |
000180091100068 |
Publication Date |
2002-11-23 |
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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 |
0953-8984; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2002 IF: 1.775 |
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Call Number |
UA @ lucian @ c:irua:103326 |
Serial |
2477 |
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Permanent link to this record |
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Author |
Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. |
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Title |
Optimized fabrication of high-quality La0.67Sr0.33MnO3 thin films considering all essential characteristics |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
44 |
Issue |
20 |
Pages |
205001-205001,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in 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 |
London |
Editor |
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Language |
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Wos |
000290150900001 |
Publication Date |
2011-04-29 |
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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 |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
99 |
Open Access |
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Notes |
This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. |
Approved |
Most recent IF: 2.588; 2011 IF: 2.544 |
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Call Number |
UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557 |
Serial |
2491 |
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Permanent link to this record |
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Author |
Krekels, T.; Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Wright, A.J.; Greaves, C. |
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Title |
Order and disorder in (Nd,Ce)nO2nSr2GaCu2O5 and YSr2CoCu2O7 |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
105 |
Issue |
2 |
Pages |
313-335 |
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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 |
A1993LT32700002 |
Publication Date |
2002-10-07 |
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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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.133 |
Times cited |
50 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:102965 |
Serial |
2499 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G. |
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Title |
Ordering of tetrahedral chains in the Sr2MnGaO5 brownmillerite |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
174 |
Issue |
2 |
Pages |
319-328 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. 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 |
London |
Editor |
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Language |
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Wos |
000185180500011 |
Publication Date |
2003-07-22 |
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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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
34 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2003 IF: 1.413 |
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Call Number |
UA @ lucian @ c:irua:94846 |
Serial |
2506 |
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Permanent link to this record |
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Author |
Van Tendeloo, G.; Hervieu, M.; Zhang, X.F.; Raveau, B. |
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Title |
Ordering principles and defect structure of “1201”, “1212”, and “1222” type (Hg,Pr)-Sr-(Sr,Ca,Pr)-Cu-O superconductors |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
114 |
Issue |
2 |
Pages |
369-378 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The new families of superconducting compounds ''1201'' (Hg0.4Pr0.6Sr2CuO4+delta), ''1212'' (Hg0.4Pr0.6Sr2(Ca1-x-ySrxPry) Cu2O6+delta), and ''1222'' (Hg0.4Pr0.6Sr2(Pr1.7Sr0.3)(2)Cu2O8+delta) all show ordering between praseodymium and mercury in the (Hg,Pr)O-delta plane, reducing the symmetry from tetragonal to orthorhombic or even to monoclinic. In the 1201 compound the ordered superstructure can be described as O-I (a(I) approximate to 2a(p), b(I), approximate to a(p), c(I) approximate to c(1201)). In the 1212 compound two distinct superstructures are identified, O-I (a(I) approximate to 2a(p), b(II) approximate to a(p), c(I) approximate to c(1212)) and O-II (a(II) approximate to 2a(p), b(II) approximate to a(p), c(II) approximate to 2c(1212)). In some compounds, such as Hg0.4Pr0.6Sr2(Ca0.4Sr0.4Pr0.2) Cu2O6+delta, the Hg-Pr ordering is only present in microdomains, but due to an ordering between Sr layers and Ca layers, the c-axis doubles and one obtains a tetragonal superstructure T-III (a(III) approximate to a(p), c(III) approximate to 2c(1212)). In the 1222 compound, ordering in the (Pr,Hg)O-delta plane is very defective; a large number of translation defects actually reduce the symmetry to triclinic. (C) 1995 Academic Press, Inc. |
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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 |
A1995QH33100011 |
Publication Date |
2002-10-07 |
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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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.133 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:13308 |
Serial |
2508 |
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Permanent link to this record |
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Author |
Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M. |
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Title |
Origin of voltage decay in high-capacity layered oxide electrodes |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nature materials |
Abbreviated Journal |
Nat Mater |
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Volume |
14 |
Issue |
14 |
Pages |
230-238 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay. |
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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 |
000348600200024 |
Publication Date |
2014-12-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1476-1122;1476-4660; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
39.737 |
Times cited |
395 |
Open Access |
|
|
|
Notes |
246791 Countatoms; 312483 Esteem2; esteem2_ta |
Approved |
Most recent IF: 39.737; 2015 IF: 36.503 |
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Call Number |
c:irua:132555 c:irua:132555 |
Serial |
2528 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V. |
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Title |
Original close-packed structure and magnetic properties of the Pb4Mn9O20 manganite |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
182 |
Issue |
8 |
Pages |
2231-2238 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing. |
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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 |
000269066400035 |
Publication Date |
2009-06-12 |
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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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
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|
Notes |
The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. |
Approved |
Most recent IF: 2.299; 2009 IF: 2.340 |
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Call Number |
UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935 |
Serial |
2529 |
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Permanent link to this record |
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Author |
Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; |
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Title |
Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
|
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Volume |
43 |
Issue |
37 |
Pages |
13883-13891 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000342074100009 |
Publication Date |
2014-07-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
1477-9226;1477-9234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.029 |
Times cited |
7 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 4.029; 2014 IF: 4.197 |
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Call Number |
UA @ lucian @ c:irua:119960 |
Serial |
2545 |
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Permanent link to this record |
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Author |
Frolov, D.D.; Kotovshchikov, Y.N.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Marikutsa, A.V.; Rumyantseva, M.N.; Gaskov, A.M.; Sadovskaya, E.M.; Abakumov, A.M. |
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Title |
Oxygen exchange on nanocrystalline tin dioxide modified by palladium |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
186 |
Issue |
|
Pages |
1-8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved. |
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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 |
000299801400001 |
Publication Date |
2011-12-08 |
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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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
34 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
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Call Number |
UA @ lucian @ c:irua:96202 |
Serial |
2546 |
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Permanent link to this record |
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Author |
Epurescu, G.; Dinescu, G.; Moldovan, A.; Birjega, R.; Dipietrantonio, F.; Verona, E.; Verardi, P.; Nistor, L.C.; Ghica, C.; Van Tendeloo, G.; Dinescu, A. |
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Title |
P-type ZnO thin films grown by RF plasma beam assisted Pulsed Laser Deposition |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Superlattices and microstructures |
Abbreviated Journal |
Superlattice Microst |
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Volume |
42 |
Issue |
1-6 |
Pages |
79-84 |
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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 |
000250271200015 |
Publication Date |
2007-08-01 |
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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 |
0749-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.123 |
Times cited |
19 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 2.123; 2007 IF: 1.344 |
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Call Number |
UA @ lucian @ c:irua:66632 |
Serial |
2549 |
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Permanent link to this record |
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Author |
De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E. |
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Title |
Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
Green Chem |
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Volume |
17 |
Issue |
17 |
Pages |
2263-2270 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In order to recycle nitrogen from nitrogen-rich waste streams, particularly protein waste, we studied the decarboxylation of pyroglutamic acid and glutamic acid in a one-pot reaction to bio-based 2-pyrrolidone. After the screening of a wide range of supported Pd and Pt catalysts, 5 wt% Pd/Al2O3 displayed the highest yield (70%) and selectivity (81%) for the decarboxylation of pyroglutamic acid in water at 250 °C and under an inert atmosphere. Side products originate from consecutive reactions of 2-pyrrolidone; different reaction pathways are proposed to explain the presence of degradation products like propionic acid, γ-hydroxybutyric acid, γ-butyrolactone and methylamine. An extensive study of the reaction parameters was performed to check their influence on selectivity and conversion. This heterogeneous catalytic system was successfully extended to the conversion of glutamic acid. |
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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 |
000352724200027 |
Publication Date |
2015-02-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1463-9262;1463-9270; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.125 |
Times cited |
47 |
Open Access |
OpenAccess |
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|
Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 9.125; 2015 IF: 8.020 |
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Call Number |
c:irua:125378 |
Serial |
2564 |
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Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Razavi, F.; Habermeier, H.-U. |
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Title |
Periodic microtwinning as a possible mechanism for the accommodation of the epitaxial film-substrate mismatch in the La1-xSrxMnO3/SrTiO3 system |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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Volume |
81 |
Issue |
4 |
Pages |
797-824 |
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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 |
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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 |
0141-8610; 1364-2804 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:54752 |
Serial |
2572 |
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Permanent link to this record |
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Author |
Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B. |
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Title |
Perovskite transparent conducting oxides : an ab initio study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
25 |
Issue |
41 |
Pages |
415503 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment. |
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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 |
000324920400011 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.649 |
Times cited |
17 |
Open Access |
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|
Notes |
FWO;Hercules |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:110495 |
Serial |
2574 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Rossell, M.D.; Alekseeva, A.M.; Vassiliev, S.Y.; Mudrezova, S.N.; Van Tendeloo, G.; Antipov, E.V. |
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Title |
Phase transitions in K3AlF6 |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
179 |
Issue |
2 |
Pages |
421-428 |
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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 |
000235282400011 |
Publication Date |
2005-12-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
18 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.299; 2006 IF: 2.107 |
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Call Number |
UA @ lucian @ c:irua:56561 |
Serial |
2597 |
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Permanent link to this record |
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Author |
Vanhellemont, J.; Romano Rodriguez, A.; Fedina, L.; van Landuyt, J.; Aseev, A. |
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Title |
Point defect reactions in silicon studied in situ by high flux electron irradiation in high voltage transmission electron microscope |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Materials science and technology |
Abbreviated Journal |
Mater Sci Tech-Lond |
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Volume |
11 |
Issue |
11 |
Pages |
1194-1202 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Results are presented of in situ studies of 1 MeV electron irradiation induced (113) defect generation in silicon containing different types and concentrations of extrinsic point defects. A semiquantitative model is developed describing the influence of interfaces and stress fields and of extrinsic point defects on the (113) defect generation in silicon during irradiation. The theoretical results obtained are correlated with experimental data obtained on silicon uniformly doped with boron and phosphorus and with observations obtained by irradiating cross-sectional samples of wafers with highly doped surface layers. It is shown that in situ irradiation in a high voltage election microscope is a powerful tool for studying local point defect reactions in silicon. (C) 1995 The Institute of Materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Inst Materials |
Place of Publication |
London |
Editor |
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Language |
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Wos |
A1995TQ95100016 |
Publication Date |
2014-01-09 |
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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 |
0267-0836;1743-2847; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.995 |
Times cited |
7 |
Open Access |
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Notes |
|
Approved |
no |
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Call Number |
UA @ lucian @ c:irua:95911 |
Serial |
2654 |
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Permanent link to this record |
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Author |
Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M. |
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Title |
Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
50 |
Issue |
7 |
Pages |
885-887 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions. |
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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 |
000328884500036 |
Publication Date |
2013-11-08 |
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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 |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:113733 |
Serial |
2678 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Tian, H.; Schattschneider, P. |
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Title |
Production and application of electron vortex beams |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Nature |
Abbreviated Journal |
Nature |
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Volume |
467 |
Issue |
7313 |
Pages |
301-304 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Vortex beams (also known as beams with a phase singularity) consist of spiralling wavefronts that give rise to angular momentum around the propagation direction. Vortex photon beams are widely used in applications such as optical tweezers to manipulate micrometre-sized particles and in micro-motors to provide angular momentum1, 2, improving channel capacity in optical3 and radio-wave4 information transfer, astrophysics5 and so on6. Very recently, an experimental realization of vortex beams formed of electrons was demonstrated7. Here we describe the creation of vortex electron beams, making use of a versatile holographic reconstruction technique in a transmission electron microscope. This technique is a reproducible method of creating vortex electron beams in a conventional electron microscope. We demonstrate how they may be used in electron energy-loss spectroscopy to detect the magnetic state of materials and describe their properties. Our results show that electron vortex beams hold promise for new applications, in particular for analysing and manipulating nanomaterials, and can be easily produced. |
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Place of Publication |
London |
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Wos |
000281824900033 |
Publication Date |
2010-09-14 |
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Edition |
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ISSN |
0028-0836;1476-4687; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
40.137 |
Times cited |
626 |
Open Access |
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Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 40.137; 2010 IF: 36.104 |
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Call Number |
UA @ lucian @ c:irua:84878UA @ admin @ c:irua:84878 |
Serial |
2720 |
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Permanent link to this record |
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Author |
Quintana, M.; Grzelczak, M.; Spyrou, K.; Kooi, B.; Bals, S.; Van Tendeloo, G.; Rudolf, P.; Prato, M. |
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Title |
Production of large graphene sheets by exfoliation of graphite under high power ultrasound in the presence of tiopronin |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
48 |
Issue |
100 |
Pages |
12159-12161 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Under ultrasonication, the production of high quality graphene layers by exfoliation of graphite was achieved via addition of tiopronin as an antioxidant. |
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Place of Publication |
London |
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Wos |
000311411100003 |
Publication Date |
2012-10-09 |
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Series Issue |
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Edition |
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ISSN |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.319 |
Times cited |
39 |
Open Access |
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Notes |
This work was financially supported by the University of Trieste, INSTM, Italian Ministry of Education MIUR (cofin Prot. 20085M27SS) and by the "Graphene-based electronics'' research program of the Foundation for Fundamental Research on Matter (FOM). Part of this work was supported by funding from the ERC grant No 246791COUNTATOMS. MQ acknowledges the financial support from CONACyT CB-2011-01-166914 and FAI-UASLP. |
Approved |
Most recent IF: 6.319; 2012 IF: 6.378 |
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Call Number |
UA @ lucian @ c:irua:105230 |
Serial |
2724 |
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Author |
Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M. |
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Title |
A protecting group approach toward synthesis of Au-silica Janus nanostars |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
50 |
Issue |
1 |
Pages |
79-81 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component. |
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Place of Publication |
London |
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Wos |
000327606000017 |
Publication Date |
2013-10-22 |
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Series Issue |
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Edition |
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ISSN |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.319 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:112774 |
Serial |
2732 |
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Permanent link to this record |
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Author |
Colomer, J.-F.; Piedigrosso, P.; Willems, I.; Journet, C.; Bernier, P.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B. |
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Title |
Purification of catalytically produced multi-wall nanotubes |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Journal of the Chemical Society : Faraday transactions: physical chemistry and chemical physics |
Abbreviated Journal |
J Chem Soc Faraday T |
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Volume |
94 |
Issue |
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Pages |
3753-3758 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Place of Publication |
London |
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Wos |
000077634100034 |
Publication Date |
2002-07-26 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0956-5000;1364-5455; |
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 |
92 |
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:25685 |
Serial |
2740 |
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Permanent link to this record |
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Author |
Dixit, H.; Lamoen, D.; Partoens, B. |
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Title |
Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
25 |
Issue |
3 |
Pages |
035501-35505 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass. |
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Place of Publication |
London |
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Wos |
000313100500010 |
Publication Date |
2012-12-12 |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
7 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:105296 |
Serial |
2801 |
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Author |
Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
The quasiparticle band structure of zincblende and rocksalt ZnO |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
22 |
Issue |
12 |
Pages |
125505,1-125505,7 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the pd hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong pd hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn20 + pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ~ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong pd hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV. |
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Place of Publication |
London |
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Wos |
000275496600010 |
Publication Date |
2010-03-13 |
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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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
53 |
Open Access |
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Notes |
Iwt; Fwo; Bof-Nio |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
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Call Number |
UA @ lucian @ c:irua:81531 |
Serial |
2802 |
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Author |
De Meulenaere, P.; Van Tendeloo, G.; van Landuyt, J.; Mommaert, C.; Severne, G. |
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Title |
Radiation defects and ordered radiation patterns in Ni and Ni4Mo: a study by 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 |
67 |
Issue |
3 |
Pages |
745-756 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Place of Publication |
London |
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Wos |
A1993 |
Publication Date |
2007-07-08 |
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Edition |
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ISSN |
0141-8610;1460-6992; |
ISBN |
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Additional Links |
UA library record; https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1993; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
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Call Number |
UA @ lucian @ c:irua:6783 |
Serial |
2808 |
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Permanent link to this record |
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Author |
Norén, L.; Van Tendeloo, G.; Withers, R.L. |
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Title |
The real (incommensurate interface modulated) structure of Ni6\pm xSe5 |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
162 |
Issue |
1 |
Pages |
122-127 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Publisher |
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Place of Publication |
London |
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Wos |
000172586400016 |
Publication Date |
2002-09-18 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
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Call Number |
UA @ lucian @ c:irua:54709 |
Serial |
2826 |
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Permanent link to this record |