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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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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 |
000275496600010 |
Publication Date |
2010-03-13 |
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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 |
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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Permanent link to this record |
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Author |
Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. |
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Title |
Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
24 |
Issue |
20 |
Pages |
205503-205503,9 |
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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 electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated. |
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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 |
000303507100009 |
Publication Date |
2012-04-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
113 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
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Call Number |
UA @ lucian @ c:irua:98222 |
Serial |
1017 |
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Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
First-principles study of possible shallow donors in ZnAl2O4 spinel |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
17 |
Pages |
174101-174107 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping. |
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Wos |
000318653300001 |
Publication Date |
2013-05-08 |
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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 |
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 |
50 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:108769 |
Serial |
1219 |
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Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
Influence of Al concentration on the optoelectronic properties of Al-doped MgO |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
20 |
Pages |
205129-5 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We use density functional theory within the local density approximation to investigate the structural, electronic, and optical properties of Al-doped MgO. The concentrations considered range from 6% to 56%. In the latter case, we also compare the optical properties of the amorphous and crystalline phases. We find that, overall, the electronic properties of the crystalline phases change qualitatively little with Al concentration. On the other hand, the changes in the electronic structure in the amorphous phase are more important, most notably because of deep impurity levels in the band gap that are absent in the crystalline phase. This leads to observable effects in, e.g., the optical absorption edge and in the refractive index. Thus, the latter can be used to characterize the crystalline to amorphous transition with Al doping level. |
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Wos |
000311605000003 |
Publication Date |
2012-11-28 |
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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 |
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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 |
5 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:105137 |
Serial |
1612 |
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Permanent link to this record |
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Author |
Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. |
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Title |
Stability of Sb-Te layered structures : first-principles study |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
14 |
Pages |
144114-144114,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers. |
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Wos |
000303115400004 |
Publication Date |
2012-04-23 |
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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 |
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 |
14 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:98255 |
Serial |
3129 |
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Permanent link to this record |
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Author |
Mahieu, S.; Ghekiere, P.; de Winter, G.; de Gryse, R.; Depla, D.; Van Tendeloo, G.; Lebedev, O.I. |
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Title |
Biaxially aligned titanium nitride thin films deposited by reactive unbalanced magnetron sputtering |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
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Volume |
200 |
Issue |
8 |
Pages |
2764-2768 |
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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 |
Lausanne |
Editor |
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Language |
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Wos |
000235202100023 |
Publication Date |
2004-12-15 |
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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 |
0257-8972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.589 |
Times cited |
36 |
Open Access |
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Notes |
IWT-Vlaanderen |
Approved |
Most recent IF: 2.589; 2006 IF: 1.559 |
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Call Number |
UA @ lucian @ c:irua:56554 |
Serial |
229 |
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Permanent link to this record |
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Author |
Van Havenbergh, K.; Turner, S.; Driesen, K.; Bridel, J.-S.; Van Tendeloo, G. |
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Title |
Solidelectrolyte interphase evolution of carbon-coated silicon nanoparticles for lithium-ion batteries monitored by transmission electron microscopy and impedance spectroscopy |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Energy technology |
Abbreviated Journal |
Energy Technol-Ger |
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Volume |
3 |
Issue |
3 |
Pages |
699-708 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The main drawbacks of silicon as the most promising anode material for lithium-ion batteries (theoretical capacity=3572 mAh g−1) are lithiation-induced volume changes and the continuous formation of a solidelectrolyte interphase (SEI) upon cycling. A recent strategy is to focus on the influence of coatings and composite materials. To this end, the evolution of the SEI, as well as an applied carbon coating, on nanosilicon electrodes during the first electrochemical cycles is monitored. Two specific techniques are combined: Transmission Electron Microscopy (TEM) is used to study the surface evolution of the nanoparticles on a very local scale, whereas electrochemical impedance spectroscopy (EIS) provides information on the electrode level. A TEMEELS fingerprint signal of carbonate structures from the SEI is discovered, which can be used to differentiate between the SEI and a graphitic carbon matrix. Furthermore, the shielding effect of the carbon coating and the thickness evolution of the SEI are described. |
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Place of Publication |
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Wos |
000357869100003 |
Publication Date |
2015-06-24 |
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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 |
2194-4288; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.789 |
Times cited |
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Open Access |
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Notes |
IWT Flanders |
Approved |
Most recent IF: 2.789; 2015 IF: 2.824 |
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Call Number |
c:irua:126676 |
Serial |
3051 |
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Permanent link to this record |
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Author |
de Witte, K.; Meynen, V.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Sepúlveda-Escribano, A.; Rodríguez-Reinoso, F.; Vansant, E.F.; Cool, P. |
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Title |
Multi-step loading of titania on mesoporous silica: influence of the morphology and the porosity on the catalytic degradation of aqueous pollutants and VOC's |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
84 |
Issue |
1/2 |
Pages |
125-132 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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Abstract |
Titania nanoparticles have been deposited on inert porous silica supports with high specific surface area. These materials have potential applications in paint and textile industry as the titania particles selectively deposited on the inner surface of the silica supports act as a photocatalyst. The inert external surface is necessary to avoid photodegradation of the textile material or the paint components. The photocatalytic activity of the catalysts has been evaluated with two catalytic setups. One setup in aqueous phase, for the degradation of dyes such as rhodamine-6G, is commonly used. The second setup is a continuous flow gaseous phase setup which was used for the mineralization of ethanol as a representative volatile organic compound (VOC). The influence of the porosity and the morphology of the silica supports on the photocatalytic activity are discussed. |
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Corporate Author |
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Publisher |
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Place of Publication |
Amsterdam |
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Language |
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Wos |
000260728300017 |
Publication Date |
2008-04-08 |
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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 |
0926-3373; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
24 |
Open Access |
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Notes |
Iwt 30916; Fwo |
Approved |
Most recent IF: 9.446; 2008 IF: 4.853 |
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Call Number |
UA @ lucian @ c:irua:68279 |
Serial |
2213 |
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Permanent link to this record |
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Author |
Radvanyi, E.; Van Havenbergh, K.; Porcher, W.; Jouanneau, S.; Bridel, J.-S.; Put, S.; Franger, S. |
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Title |
Study and modeling of the Solid Electrolyte Interphase behavior on nano-silicon anodes by Electrochemical Impedance Spectroscopy |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Electrochimica acta |
Abbreviated Journal |
Electrochim Acta |
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Volume |
137 |
Issue |
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Pages |
751-757 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The instability of the Solid Electrolyte Interphase (SEI) at the surface of nano-silicon electrodes has been recognized as one of the key issues to explain the rapid capacity fading of theses electrodes. In this paper, two distinct Si-based systems are studied by using Electrochemical Impedance Spectroscopy (EIS). First, several EIS spectra are recorded along the second electrochemical cycle. Although the active material, the electrode formulation, and the experimental conditions are different for the two systems, the same phenomena are observed in both cases: (i) the SEI deposit around 50 kHz, (ii) the charge transfer (CT) with a characteristic frequency varying from 300 to 1 500 Hz, and (iii) an inductive loop at ∼1 Hz which appears only when the potential of the electrode is below 0.35 V vs Li. As the latter has never been reported for Si-based electrodes, the second step of the work consists in understanding this phenomenon. Thanks to the results obtained in a set of several complementary experiments, we finally attribute the inductive loop to the constant formation/deposition of SEI products, in competition with the CT process. In addition, we propose a mechanism for this specific phenomenon and the equivalent circuit to fit the recorded EIS spectra. |
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Publisher |
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Place of Publication |
London |
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Language |
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Wos |
000341462500095 |
Publication Date |
2014-06-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-4686; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.798 |
Times cited |
36 |
Open Access |
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Notes |
IWT (K. Van Havenbergh) |
Approved |
Most recent IF: 4.798; 2014 IF: 4.504 |
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Call Number |
UA @ lucian @ c:irua:117945 |
Serial |
3323 |
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Permanent link to this record |
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Author |
Gorlé, C.; van Beeck, J.; Rambaud, P.; Van Tendeloo, G. |
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Title |
CFD modelling of small particle dispersion: the influence of the turbulence kinetic energy in the atmospheric boundary layer |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
Atmos Environ |
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Volume |
43 |
Issue |
3 |
Pages |
673-681 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
When considering the modelling of small particle dispersion in the lower part of the Atmospheric Boundary Layer (ABL) using Reynolds Averaged Navier Stokes simulations, the particle paths depend on the velocity profile and on the turbulence kinetic energy, from which the fluctuating velocity components are derived to predict turbulent dispersion. It is therefore important to correctly reproduce the ABL, both for the velocity profile and the turbulence kinetic energy profile. For RANS simulations with the standard kå model, Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.) proposed a set of boundary conditions which result in horizontally homogeneous profiles. The drawback of this method is that it assumes a constant profile of turbulence kinetic energy, which is not always consistent with field or wind tunnel measurements. Therefore, a method was developed which allows the modelling of a horizontally homogeneous turbulence kinetic energy profile that is varying with height. By comparing simulations performed with the proposed method to simulations performed with the boundary conditions described by Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.), the influence of the turbulence kinetic energy on the dispersion of small particles over flat terrain is quantified. |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000262737900023 |
Publication Date |
2008-10-16 |
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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 |
1352-2310; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.629 |
Times cited |
79 |
Open Access |
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Notes |
Iwt |
Approved |
Most recent IF: 3.629; 2009 IF: 3.139 |
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Call Number |
UA @ lucian @ c:irua:76016 |
Serial |
306 |
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Permanent link to this record |
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Author |
Saraiva, M.; Chen, H.; Leroy, W.P.; Mahieu, S.; Jehanathan, N.; Lebedev, O.; Georgieva, V.; Persoons, R.; Depla, D. |
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Title |
Influence of Al content on the properties of MgO grown by reactive magnetron sputtering |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
6 |
Issue |
S:1 |
Pages |
S751-S754 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In the present work, reactive magnetron sputtering in DC mode was used to grow complex oxide thin films, starting from two separate pure metal targets. A series of coatings was produced with a stoichiometry of the film ranging from MgO, over MgxAlyOz to Al2O3. The surface energy, crystallinity, hardness, refractive index, and surface roughness were investigated. A relationship between all properties studied and the Mg content of the samples was found. A critical compositional region for the Mg-Al-O system where all properties exhibit a change was noticed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000272302900144 |
Publication Date |
2009-09-08 |
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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 |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.846 |
Times cited |
13 |
Open Access |
|
|
|
Notes |
Iwt |
Approved |
Most recent IF: 2.846; 2009 IF: 4.037 |
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|
Call Number |
UA @ lucian @ c:irua:79363 |
Serial |
1613 |
|
Permanent link to this record |
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|
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Author |
Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G. |
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|
Title |
The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
|
|
Volume |
519 |
Issue |
16 |
Pages |
5388-5396 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT) |
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|
Abstract |
The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lausanne |
Editor |
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|
|
Language |
|
Wos |
000292573500013 |
Publication Date |
2011-02-26 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0040-6090; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.879 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
Iwt |
Approved |
Most recent IF: 1.879; 2011 IF: 1.890 |
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|
Call Number |
UA @ lucian @ c:irua:89516 |
Serial |
1618 |
|
Permanent link to this record |
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Author |
Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. |
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|
Title |
Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
42 |
Issue |
6 |
Pages |
065107,1-065107,8 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between. |
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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 |
|
Wos |
000263824200024 |
Publication Date |
2009-03-03 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
37 |
Open Access |
|
|
|
Notes |
Iwt |
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
|
|
Call Number |
UA @ lucian @ c:irua:73246 |
Serial |
3110 |
|
Permanent link to this record |
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Author |
Lazoryak, B.I.; Baryshnikova, O.V.; Stefanovich, S.Y.; Malakho, A.P.; Morozov, V.A.; Belik, A.A.; Leonidov, I.A.; Leonidova, O.N.; Van Tendeloo, G. |
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Title |
Ferroelectric and ionic-conductive properties of nonlinear-optical vanadate, Ca9Bi(VO4)7 |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
|
Volume |
15 |
Issue |
15 |
Pages |
3003-3010 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
Structural, chemical, and physical properties of whitlockite-type Ca9Bi(VO4)(7) were studied by X-ray powder diffraction (XRD), electron diffraction (ED), second-harmonic generation (SHG), thermogravimetry, differential scanning calorimetry, dielectric, and electrical-conductivity measurements. A new phase-transition of the ferroelectric type was found in Ca9Bi(VO4)(7) with a transition temperature, T-c of 1053 +/- 3 K. The polar phase, beta-Ca9Bi(VO4)(7), is stable below T-c down to at least 160 K. The centrosymmetric beta'-phase is stable above T-c up to 1273 +/- 5 K. Above 1273 K, it decomposes to give BiVO4 and whitlockite-type solid solutions of Ca9+1.5xBi1-x(VO4)(7). The beta<---->beta' phase transition is reversible and of second order. Electrical conductivity of beta'-Ca9Bi(VO4)(7) is rather high (sigma = 0.6 x 10(-3) S/cm at 1200 K) and obeys the Arrhenius law with an activation energy of 1.0 eV. Structure parameters of Ca9Bi(VO4)(7) are refined by the Rietveld method from XRD data measured at room temperature (space group R3c; Z = 6; a = 10.8992(1) Angstrom, c = 38.1192(4) Angstrom, and V = 3921.6(1) Angstrom(3); R-wp = 3.06% and R-p = 2.36%). Bi3+ ions together with Ca2+ ions are statistically distributed among the M1, M2, M3, and M5 sites. Ca9Bi(VO4)(7) has a SHG efficiency of about 140 times that of quartz. Through the powder SHG measurements, we estimated the nonlinear optical susceptibility, Digital, at about 6.1-7.2 pm/V. This value for Ca9Bi(VO4)(7) is comparable with that for known nonlinear optical materials such as LiNbO3 and LiTaO3. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000184379900024 |
Publication Date |
2003-07-22 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.466 |
Times cited |
51 |
Open Access |
|
|
|
Notes |
Iup V-1; Dwtc |
Approved |
Most recent IF: 9.466; 2003 IF: 4.374 |
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|
Call Number |
UA @ lucian @ c:irua:103284 |
Serial |
1179 |
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Permanent link to this record |
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Author |
Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Verbeeck, J.; Tian, H.; Tan, H.; Dik, J.; Radepont, M.; Cotte, M. |
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|
Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods : 1 : artificially aged model samples |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
|
Volume |
83 |
Issue |
4 |
Pages |
1214-1223 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1−3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr2O3·2H2O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide], is likely. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000287176900011 |
Publication Date |
2011-02-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.32 |
Times cited |
113 |
Open Access |
|
|
|
Notes |
Iuap; Fwo |
Approved |
Most recent IF: 6.32; 2011 IF: 5.856 |
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|
Call Number |
UA @ lucian @ c:irua:88794UA @ admin @ c:irua:88794 |
Serial |
632 |
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Permanent link to this record |
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Author |
Peirs, J.; Tirry, W.; Amin-Ahmadi, B.; Coghe, F.; Verleysen, P.; Rabet, L.; Schryvers, D.; Degrieck, J. |
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Title |
Microstructure of adiabatic shear bands in Ti6Al4V |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
|
|
Volume |
75 |
Issue |
|
Pages |
79-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
Microstructural deformation mechanisms in adiabatic shear bands in Ti6Al4V are studied using traditional TEM and selected area diffraction, and more advanced microstructural characterisation techniques such as energy dispersive X-ray spectroscopy, high angle annular dark field STEM and conical dark field TEM. The shear bands under investigation are induced in Ti6Al4V samples by high strain rate compression of cylindrical and hat-shaped specimens in a split Hopkinson pressure bar setup. Samples from experiments interrupted at different levels of deformation are used to study the evolution of the microstructure in and nearby the shear bands. From the early stages of adiabatic shear band formation, TEM revealed strongly elongated equiaxed grains in the shear band. These band-like grains become narrower towards the centre of the band and start to fraction even further along their elongated direction to finally result in a nano-crystalline region in the core. In fully developed shear bands, twins and a needle-like martensite morphology are observed near the shear band. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000314860900011 |
Publication Date |
2012-11-07 |
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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 |
1044-5803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.714 |
Times cited |
56 |
Open Access |
|
|
|
Notes |
Iuap; Fwo |
Approved |
Most recent IF: 2.714; 2013 IF: 1.925 |
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Call Number |
UA @ lucian @ c:irua:105300 |
Serial |
2065 |
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Permanent link to this record |
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Author |
Bittencourt, C.; van Lier, G.; Ke, X.; Suarez-Martinez, I.; Felten, A.; Ghijsen, J.; Van Tendeloo, G.; Ewels, C.O. |
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Title |
Spectroscopy and defect identification for fluorinated carbon nanotubes |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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Volume |
10 |
Issue |
6 |
Pages |
920-925 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Multi-wall carbon nanotubes (MWCNTs) were exposed to a CF4 radio-frequency (rf) plasma. High-resolution photoelectron spectroscopy shows that the treatment effectively grafts fluorine atoms onto the MWCNTs, altering the valence electronic states. Fluorine surface concentration can be tuned by varying the exposure time. Evaporation of gold onto MWCNTs is used to mark active site formation. High-resolution transmission electron microscopy coupled with density functional theory (DFT) modelling is used to characterise the surface defects formed, indicating that the plasma treatment does not etch the tube surface. We suggest that this combination of theory and microscopy of thermally evaporated gold atoms onto the CNT surface may be a powerful approach to characterise both surface defect density as well as defect type. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
|
Wos |
000265469200011 |
Publication Date |
2009-03-05 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
1439-4235;1439-7641; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.075 |
Times cited |
14 |
Open Access |
|
|
|
Notes |
Iuap; Fwo |
Approved |
Most recent IF: 3.075; 2009 IF: 3.453 |
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|
Call Number |
UA @ lucian @ c:irua:77315 |
Serial |
3073 |
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Permanent link to this record |
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Author |
Schalm, O.; van der Linden, V.; Frederickx, P.; Luyten, S.; van der Snickt, G.; Caen, J.; Schryvers, D.; Janssens, K.; Cornelis, E.; van Dyck, D.; Schreiner, M. |
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Title |
Enamels in stained glass windows: preparation, chemical composition, microstructure and causes of deterioration |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
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Volume |
64 |
Issue |
8 |
Pages |
812-820 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Vision lab |
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|
Abstract |
Stained glass windows incorporating dark blue and purple enamel paint layers are in some cases subject to severe degradation while others from the same period survived the ravages of time. A series of dark blue, greenblue and purple enamel glass paints from the same region (Northwestern Europe) and from the same period (16early 20th centuries) has been studied by means of a combination of microscopic X-ray fluorescence analysis, electron probe micro analysis and transmission electron microscopy with the aim of better understanding the causes of the degradation. The chemical composition of the enamels diverges from the average chemical composition of window glass. Some of the compositions appear to be unstable, for example those with a high concentration of K2O and a low content of CaO and PbO. In other cases, the deterioration of the paint layers was caused by the less than optimal vitrification of the enamel during the firing process. Recipes and chemical compositions indicate that glassmakers of the 1617th century had full control over the color of the enamel glass paints they made. They mainly used three types of coloring agents, based on Co (dark blue), Mn (purple) and Cu (light-blue or greenblue) as coloring elements. Bluepurple enamel paints were obtained by mixing two different coloring agents. The coloring agent for redpurple enamel, introduced during the 19th century, was colloidal gold embedded in grains of lead glass. |
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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 |
Oxford |
Editor |
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Language |
|
Wos |
000269995300018 |
Publication Date |
2009-06-19 |
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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 |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.241 |
Times cited |
28 |
Open Access |
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|
|
Notes |
Iuap Vi/6; Fwo; Goa |
Approved |
Most recent IF: 3.241; 2009 IF: 2.719 |
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Call Number |
UA @ lucian @ c:irua:79647 |
Serial |
1035 |
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Permanent link to this record |
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Author |
Kalitzova, M.; Lebedev, O.I.; Zollo, G.; Gesheva, K.; Vlakhov, E.; Marinov, Y.; Ivanova, T.; |
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Title |
Dynamics of nanoclustering in Te+ implanted Si after application of high frequency electromagnetic field and thermal annealing |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
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Volume |
91 |
Issue |
3 |
Pages |
515-519 |
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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 |
Heidelberg |
Editor |
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Language |
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Wos |
000255089300027 |
Publication Date |
2008-03-13 |
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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 |
0947-8396;1432-0630; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
1.455 |
Times cited |
|
Open Access |
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|
|
Notes |
Iuap Vi |
Approved |
Most recent IF: 1.455; 2008 IF: 1.884 |
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Call Number |
UA @ lucian @ c:irua:69129 |
Serial |
780 |
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Permanent link to this record |
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Author |
Bals, S.; Van Tendeloo, G.; Rijnders, G.; Huijben, M.; Leca, V.; Blank, D.H.A. |
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Title |
Transmission electron microscopy on interface engineered superconducting thin films |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
Ieee T Appl Supercon |
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Volume |
13 |
Issue |
2:3 |
Pages |
2834-2837 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Transmission electron microscopy is used to evaluate different deposition techniques, which optimize the microstructure and physical properties of superconducting thin films. High-resolution electron microscopy proves that the use of an YBa2Cu2Ox buffer layer can avoid a variable interface configuration in YBa2Cu3O7-delta thin films grown on SrTiO3. The growth can also be controlled at an atomic level by, using sub-unit cell layer epitaxy, which results in films with high quality and few structural defects. Epitaxial strain in Sr0.85La0.15CuO2 infinite layer thin films influences the critical temperature of these films, as well as the microstructure. Compressive stress is released by a modulated or a twinned microstructure, which eliminates superconductivity. On the other hand, also tensile strain seems to lower the critical temperature of the infinite layer. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000184242400101 |
Publication Date |
2003-07-16 |
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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 |
1051-8223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
13 |
Open Access |
|
|
|
Notes |
Iuap V-1; Fwo |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:103292 |
Serial |
3712 |
|
Permanent link to this record |
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|
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Author |
Stefanovich, S.Y.; Belik, A.A.; Azuma, M.; Takano, M.; Baryshnikova, O.V.; Morozov, V.A.; Lazoryak, B.I.; Lebedev, O.I.; Van Tendeloo, G. |
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Title |
Antiferroelectric phase transition in Sr9In(PO4)7 |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
70 |
Issue |
|
Pages |
172103,1-4 |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000225477000003 |
Publication Date |
2004-11-12 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
Iuap P5/01 |
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
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|
Call Number |
UA @ lucian @ c:irua:54744 |
Serial |
135 |
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Permanent link to this record |
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Author |
Van Tendeloo, G.; Lebedev, O.I.; Hervieu, M.; Raveau, B. |
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Title |
Structure and microstructure of colossal magnetoresistant materials |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Reports on progress in physics |
Abbreviated Journal |
Rep Prog Phys |
|
|
Volume |
67 |
Issue |
|
Pages |
1315-1365 |
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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 |
|
Wos |
000223732200001 |
Publication Date |
2004-07-06 |
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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 |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0034-4885;1361-6633; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
14.311 |
Times cited |
79 |
Open Access |
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|
|
Notes |
Iuap P5/01 |
Approved |
Most recent IF: 14.311; 2004 IF: 7.842 |
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|
Call Number |
UA @ lucian @ c:irua:54867 |
Serial |
3285 |
|
Permanent link to this record |
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Author |
Du, G.H.; Van Tendeloo, G. |
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Title |
Cu(OH)2 nanowires, CuO nanowires and CuO nanobelts |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
|
Volume |
393 |
Issue |
1/3 |
Pages |
64-69 |
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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 |
Amsterdam |
Editor |
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|
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Language |
|
Wos |
000222887700012 |
Publication Date |
2004-06-22 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.815 |
Times cited |
145 |
Open Access |
|
|
|
Notes |
Iuap P5/01 |
Approved |
Most recent IF: 1.815; 2004 IF: 2.438 |
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|
Call Number |
UA @ lucian @ c:irua:54777 |
Serial |
3525 |
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Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Ju, H.L.; Krishnan, K.M. |
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Title |
High-resolution electron microscopy study of strained epitaxial La0.7Sr0.3MnO3 thin films |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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|
Volume |
80 |
Issue |
3 |
Pages |
673-691 |
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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 |
000085873500011 |
Publication Date |
2007-07-08 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0141-8610;1460-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
52 |
Open Access |
|
|
|
Notes |
IUAP 4-10; reprint |
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:54751 |
Serial |
1456 |
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Permanent link to this record |
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Author |
Van Tendeloo, G.; Lebedev, O.I.; Amelinckx, S. |
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Title |
Atomic and microstructure of CMR materials |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
211 |
Issue |
|
Pages |
73-83 |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000085772100013 |
Publication Date |
2002-07-25 |
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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 |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.63 |
Times cited |
48 |
Open Access |
|
|
|
Notes |
Iuap 4-10 |
Approved |
Most recent IF: 2.63; 2000 IF: 0.996 |
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Call Number |
UA @ lucian @ c:irua:54773 |
Serial |
165 |
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Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G.; Amelinckx, S. |
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Title |
The microstructure of ordered Ba(Mg1/3Ta2/3)O3 |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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|
Volume |
82 |
Issue |
2 |
Pages |
349-367 |
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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 |
000173420400009 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
0141-8610;1460-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
8 |
Open Access |
|
|
|
Notes |
Iuap 4-10 |
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:54753 |
Serial |
2071 |
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Permanent link to this record |
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Author |
Vast, L.; Carpentier, L.; Lallemand, F.; Colomer, J.-F.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.; Mekhalif, Z.; Delhalle, J. |
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Title |
Multiwalled carbon nanotubes functionalized with 7-octenyltrichlorosilane and n-octyltrichlorosilane: dispersion in Sylgard®184 silicone and Youngs modulus |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
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|
Volume |
44 |
Issue |
13 |
Pages |
3476-3482 |
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|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand. |
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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 |
000267153200022 |
Publication Date |
2009-04-20 |
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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 |
0022-2461;1573-4803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.599 |
Times cited |
16 |
Open Access |
|
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|
Notes |
Iuap |
Approved |
Most recent IF: 2.599; 2009 IF: 1.471 |
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Call Number |
UA @ lucian @ c:irua:77844 |
Serial |
2245 |
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Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Hereijgers, J.; Breugelmans, T.; Cool, P.; Bogaerts, A. |
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Title |
How gas flow design can influence the performance of a DBD plasma reactor for dry reforming of methane |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
405 |
Issue |
|
Pages |
126618 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
DBD plasma reactors are commonly used in a static ‘one inlet – one outlet’ design that goes against reactor design principles for multi-component reactions, such as dry reforming of methane (DRM). Therefore, in this paper we have developed a novel reactor design, and investigated how the shape and size of the reaction zone, as well as gradual gas addition, and the method of mixing CO2 and CH4 can influence the conversion and product com position of DRM. Even in the standard ‘one inlet – one outlet’ design, the direction of the gas flow (i.e. short or long path through the reactor, which defines the gas velocity at fixed residence time), as well as the dimensions of the reaction zone and the power delivery to the reactor, largely affect the performance. Using gradual gas addition and separate plasma activation zones for the individual gases give increased conversions within the same operational parameters, by optimising mixing ratios and kinetics. The choice of the main (pre-activated) gas and the direction of gas flow largely affect the conversion and energy cost, while the gas inlet position during separate addition only influences the product distribution. |
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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 |
000626511800005 |
Publication Date |
2020-08-12 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
6.216 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Interreg; Flanders; FWO; University of Antwerp; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund 13 for Scientific Research (FWO; grant number: G.0254.14N), and an IOFSBO (SynCO2Chem) project from the University of Antwerp. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @c:irua:170609 |
Serial |
6410 |
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Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
The Potential Use of Core-Shell Structured Spheres in a Packed-Bed DBD Plasma Reactor for CO2 Conversion |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Catalysts |
Abbreviated Journal |
Catalysts |
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Volume |
10 |
Issue |
5 |
Pages |
530 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This work proposes to use core-shell structured spheres to evaluate whether it allows to individually optimize bulk and surface effects of a packing material, in order to optimize conversion and energy efficiency. Different core-shell materials have been prepared by spray coating, using dense spheres (as core) and powders (as shell) of SiO2, Al2O3, and BaTiO3. The materials are investigated for their performance in CO2 dissociation and compared against a benchmark consisting of a packed-bed reactor with the pure dense spheres, as well as an empty reactor. The results in terms of CO2 conversion and energy efficiency show various interactions between the core and shell material, depending on their combination. Al2O3 was found as the best core material under the applied conditions here, followed by BaTiO3 and SiO2, in agreement with their behaviour for the pure spheres. Applying a thin shell layer on the cores showed equal performance between the different shell materials. Increasing the layer thickness shifts this behaviour, and strong combination effects were observed depending on the specific material. Therefore, this method of core-shell spheres has the potential to allow tuning of the packing properties more closely to the application by designing an optimal combination of core and shell. |
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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 |
000546007000092 |
Publication Date |
2020-05-11 |
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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 |
2073-4344 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.9 |
Times cited |
|
Open Access |
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Notes |
Interreg, Project EnOp ; Fonds Wetenschappelijk Onderzoek, G.0254.14N ; Universiteit Antwerpen, Project SynCO2Chem ; We want to thank Jasper Lefevre (VITO) for assistance in the development of the coating suspension for the core-shell spheres. |
Approved |
Most recent IF: 3.9; 2020 IF: 3.082 |
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Call Number |
PLASMANT @ plasmant @c:irua:169222 |
Serial |
6364 |
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Permanent link to this record |
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Author |
Bogaerts, A.; De Bie, C.; Snoeckx, R.; Koz?k, T. |
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Title |
Plasma based CO2and CH4conversion: A modeling perspective |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600070 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper gives an overview of our plasma chemistry modeling for CO2 and CH4 conversion in a dielectric barrier discharge (DBD) and microwave (MW) plasma. We focus on pure CO2 splitting and pure CH4 reforming, as well as mixtures of CO2/CH4, CH4/O2, and CO2/H2O. We show calculation results for the conversion, energy efficiency, and product formation, in comparison with experiments where possible. We also present the underlying chemical reaction pathways, to explain the observed
trends. For pure CO2, a comparison is made between a DBD and MW plasma, illustrating that the higher energy efficiency of the latter is attributed to the more important role of the vibrational levels. |
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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 |
000403699900001 |
Publication Date |
2016-09-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
|
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
17 |
Open Access |
Not_Open_Access |
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Notes |
Inter-university Attraction Pole (IAP/7); Federaal Wetenschapsbeleid; Francqui Research Foundation; Fonds De La Recherche Scientifique – FNRS, G.0383.16N ; Hercules Foundation; Flemish Government; UAntwerpen; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144209 |
Serial |
4579 |
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Permanent link to this record |