Records |
Author |
Milants, K.; Hendrickx, P.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Vermeiren, F.; Van Tendeloo, G. |
Title |
133Xe(Cs) Mössbauer measurements on Ar, Ne, Kr, Xe, Rb, and Cs inclusions in W and Mo |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
55 |
Issue |
5 |
Pages |
2831-2839 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
A1997WG88600034 |
Publication Date |
0000-00-00 |
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 |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 1997 IF: NA |
Call Number |
UA @ lucian @ c:irua:21422 |
Serial |
3512 |
Permanent link to this record |
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|
|
Author |
Prituzhalov, V.A.; Abakumov, A.M.; Ardashnikova, E.I.; Dolgikh, V.A.; Van Tendeloo, G. |
Title |
:Ba2.1Bi0.9(O, F)6.8-\delta: a new ordered anion-excess fluorite |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Materials research bulletin |
Abbreviated Journal |
Mater Res Bull |
Volume |
42 |
Issue |
5 |
Pages |
861-869 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000245842600010 |
Publication Date |
2006-10-05 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0025-5408; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.446 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.446; 2007 IF: 1.484 |
Call Number |
UA @ lucian @ c:irua:64724 |
Serial |
3515 |
Permanent link to this record |
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|
Author |
Heijkers, S.; Snoeckx, R.; Kozák, T.; Silva, T.; Godfroid, T.; Britun, N.; Snyders, R.; Bogaerts, A. |
Title |
CO2 conversion in a microwave plasma reactor in the presence of N2 : elucidating the role of vibrational levels |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
119 |
Issue |
119 |
Pages |
12815-12828 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A chemical kinetics model is developed for a CO2/N2 microwave plasma, focusing especially on the vibrational levels of both CO2 and N2. The model is used to calculate the CO2 and N2 conversion as well as the energy efficiency of CO2 conversion for different power densities and for N2 fractions in the CO2/N2 gas mixture ranging from 0 to 90%. The calculation results are compared with measurements, and agreements within 23% and 33% are generally found for the CO2 conversion and N2 conversion, respectively. To explain the observed trends, the destruction and formation processes of both CO2 and N2 are analyzed, as well as the vibrational distribution functions of both CO2 and N2. The results indicate that N2 contributes in populating the lower asymmetric levels of CO2, leading to a higher absolute CO2 conversion upon increasing N2 fraction. However, the effective CO2 conversion drops because there is less CO2 initially present in the gas mixture; thus, the energy efficiency also drops with rising N2 fraction. |
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 |
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Wos |
000356317500005 |
Publication Date |
2015-05-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
56 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
Call Number |
c:irua:126325 |
Serial |
3523 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H. |
Title |
(CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
6 |
Pages |
064440-12 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states. |
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 |
000308127600006 |
Publication Date |
2012-08-29 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101886 |
Serial |
3526 |
Permanent link to this record |
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Author |
Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; Forster, T.J.; Main, P.C.; Sakai, J.W.; Henini, M. |
Title |
D- centers probed by resonant tunneling spectroscopy |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
53 |
Issue |
|
Pages |
9554-9557 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1996UJ29600016 |
Publication Date |
0000-00-00 |
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 |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
40 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:15797 |
Serial |
3527 |
Permanent link to this record |
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|
Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T. |
Title |
D- states in GaAs/AlxGa1-xAs superlattices in a magnetic field |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
51 |
Issue |
|
Pages |
7714-7724 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
Abstract |
|
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 |
A1995QQ59800035 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
76 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:11692 |
Serial |
3529 |
Permanent link to this record |
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|
|
Author |
Fröba, M.; Köhn, R.; Bouffaud, G.; Richard, O.; Van Tendeloo, G. |
Title |
_Fe2O3 nanoparticles with mesoporous MCM-48 silica: in situ formation and characterisation |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
11 |
Issue |
|
Pages |
2858-2865 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000083261100032 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
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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 |
202 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 1999 IF: 3.273 |
Call Number |
UA @ lucian @ c:irua:29721 |
Serial |
3530 |
Permanent link to this record |
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|
Author |
Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Côté, M.; Rignanese, G.-M. |
Title |
G0W0 band gap of ZnO : effects of plasmon-pole models |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
24 |
Pages |
241201-241201,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum rule gives less precise results. In particular, it confirms that the band gap of ZnO is underestimated in the G0W0 approach as compared to experiment, contrary to the recent claim of Shih et al. [ Phys. Rev. Lett. 105 146401 (2010)]. |
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 |
000297766600001 |
Publication Date |
2011-12-06 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
81 |
Open Access |
|
Notes |
; The authors would like to thank P. Zhang, S. Louie, J. Deslippe, P. Rinke, H. Jiang, C. Friedrich, and F. Bruneval for many helpful discussions. We are also very grateful to Y. Pouillon, A. Jacques, and J.-M. Beuken for their technical aid and expertise. M.C. and G.A. would like to acknowledge the support of NSERC and FQRNT. This work was supported by the Interuniversity Attraction Poles program (P6/42)-Belgian State-Belgian Science Policy, the Flemish Science Foundation (FWO-Vl) ISIMADE project, the EU's 7th Framework programme through the ETSF I3 e-Infrastructure project (Grant Agreement No. 211956), the Communaute francaise de Belgique, through the Action de Recherche Concertee 07/ 12-003 “Nanosystemes hybrides metal-organiques”, and the FNRS through FRFC Project No. 2.4.589.09.F. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:93963 |
Serial |
3533 |
Permanent link to this record |
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|
|
Author |
Morozov, V.A.; Arakcheeva, A.V.; Pattison, P.; Meert, K.W.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J. |
Title |
KEu(MoO4)2 : polymorphism, structures, and luminescent properties |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
5519-5530 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this paper, with the example of two different polymorphs of KEu(MoO4)2, the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A′,A″)n[(B′,B″)O4]m is investigated. The polymorphs were synthesized using a solid state method. The study confirmed the existence of only two polymorphic forms at annealing temperature range 9231203 K and ambient pressure: a low temperature anorthic α-phase and a monoclinic high temperature β-phase with an incommensurately modulated structure. The structures of both polymorphs were solved using transmission electron microscopy and refined from synchrotron powder X-ray diffraction data. The monoclinic β-KEu(MoO4)2 has a (3+1)-dimensional incommensurately modulated structure (superspace group I2/b(αβ0)00, a = 5.52645(4) Å, b = 5.28277(4) Å, c = 11.73797(8) Å, γ = 91.2189(4)o, q = 0.56821(2)a*0.12388(3)b*), whereas the anorthic α-phase is (3+1)-dimensional commensurately modulated (superspace group I1̅(αβγ)0, a = 5.58727(22) Å, b = 5.29188(18)Å, c = 11.7120(4) Å, α = 90.485(3)o, β = 88.074(3)o, γ = 91.0270(23)o, q = 1/2a* + 1/2c*). In both cases the modulation arises due to Eu/K cation ordering at the A site: the formation of a 2-dimensional Eu3+ network is characteristic for the α-phase, while a 3-dimensional Eu3+-framework is observed for the β-phase structure. The luminescent properties of KEu(MoO4)2 samples prepared under different annealing conditions were measured, and the relation between their optical properties and their structures is discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000360323700011 |
Publication Date |
2015-07-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
|
Notes |
278510 Vortex; Fwo G039211n; G004413n ECASJO_; |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:127244 |
Serial |
3537 |
Permanent link to this record |
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|
|
Author |
Morozov, V.A.; Arakcheeva, A.V.; Chapuis, G.; Guiblin, N.; Rossell, M.D.; Van Tendeloo, G. |
Title |
KNd(MoO4)2: a new incommensurate modulated structure in the scheelite family |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
18 |
Issue |
17 |
Pages |
4075-4082 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000239758300022 |
Publication Date |
2006-07-28 |
Series Editor |
|
Series Title |
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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 |
46 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
Call Number |
UA @ lucian @ c:irua:60688 |
Serial |
3538 |
Permanent link to this record |
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|
|
Author |
Mandal, T.K.; Croft, M.; Hadermann, J.; Van Tendeloo, G.; Stephens, P.W.; Greenblatt, M. |
Title |
La2MnVO6 double perovskite: a structural, magnetic and X-ray absorption investigation |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
19 |
Issue |
25 |
Pages |
4382-4390 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The synthesis, electron diffraction (ED), synchrotron X-ray and neutron structure, X-ray absorption spectroscopy (XAS) and magnetic property studies of La2MnVO6 double perovskite are described. Analysis of the synchrotron powder X-ray diffraction data for La2MnVO6 indicates a disordered arrangement of Mn and V at the B-site of the perovskite structure. Absence of super-lattice reflections in the ED patterns for La2MnVO6 supports the disordered cation arrangement. Room temperature time-of-flight (TOF) neutron powder diffraction (NPD) data show no evidence of cation ordering, in corroboration with the ED and synchrotron studies (orthorhombic Pnma, a = 5.6097(3), b = 7.8837(5) and c = 5.5668(3) ; 295 K, NPD). A comparison of XAS analyses of La2TVO6 with T = Ni and Co shows T2+ formal oxidation state while the T = Mn material evidences a Mn3+ admixture into a dominantly Mn2+ ground state. V-K edge measurements manifest a mirror image behavior with a V4+ state for T = Ni and Co with a V3+ admixture arising in the T = Mn material. The magnetic susceptibility data for La2MnVO6 show ferromagnetic correlations; the observed effective moment, µeff (5.72 µB) is much smaller than the calculated moment (6.16 µB) based on the spin-only formula for Mn2+ (d5, HS) /V4+ (d1), supportive of the partly oxidized Mn and reduced V scenario (Mn3+/V3+). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000266989800015 |
Publication Date |
2009-04-24 |
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 |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:77367 |
Serial |
3540 |
Permanent link to this record |
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|
|
Author |
Sun, M.; Rousse, G.; Abakumov, A.M.; Saubanere, M.; Doublet, M.-L.; Rodriguez-Carvajal, J.; Van Tendeloo, G.; Tarascon, J.-M. |
Title |
Li2Cu2O(SO4)2: a possible electrode for sustainable Li-based batteries showing a 4.7 V redox activity vs Li+/Li0 |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
3077-3087 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Li-ion batteries rely on the use of insertion positive electrodes with performances scaling with the redox potential of the 31) metals accompanying Liuptake/removal. Although not commonly studied, the Cu2+/Cu3+ redox potential has been predicted from theoretical calculations to possibly offer a high operating voltage redox couple. We herein report the synthesis and crystal structure of a hitherto-unknown oxysulfate phase, Li2Cu2O(SO4)(2), which contains infinite edgesharing CuO4 chains and presents attractive electrochemical redox activity with respect to Li+/Li, namely amphoteric characteristics. Li2Cu2O(SO4)(2) shows redox activity at 4.7 V vs Li+/Li corresponding to the oxidation of Cu2+ to Cu3+ enlisting ligand holes and associated with the reversible uptake-removal of 0.3 Li. Upon reduction, this compound reversibly uptakes similar to 2 Li at an average potential of about 2.5 V vs Li+/Li, associated with the Cu2+/Cu+ redox couple. The mechanism of the reactivity upon reduction is discussed in detail, with particular attention to the occasional appearance of an oscillation wave in the discharge profile. Our work demonstrates that Cu-based compounds can indeed be fertile scientific ground in the search for new high-energy-density electrodes. |
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 |
000353865800043 |
Publication Date |
2015-03-25 |
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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:126061 |
Serial |
3541 |
Permanent link to this record |
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|
|
Author |
Li, M.R.; Croft, M.; Stephens, P.W.; Ye, M.; Vanderbilt, D.; Retuerto, M.; Deng, Z.; Grams, C.P.; Hemberger, J.; Hadermann, J.; Li, W.M.; Jin, C.Q.; Saouma, F.O.; Jang, J.I.; Akamatsu, H.; Gopalan, V.; Walker, D.; Greenblatt, M.; |
Title |
Mn2FeWO6 : a new Ni3TeO6-type polar and magnetic oxide |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
Volume |
27 |
Issue |
27 |
Pages |
2177-2181 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Mn22+Fe2+W6+O6, a new polar magnetic phase, adopts the corundum-derived Ni3TeO6-type structure with large spontaneous polarization (P-S) of 67.8 mu C cm-2, complex antiferromagnetic order below approximate to 75 K, and field-induced first-order transition to a ferrimagnetic phase below approximate to 30 K. First-principles calculations predict a ferrimagnetic (udu) ground state, optimal switching path along the c-axis, and transition to a lower energy udu-udd magnetic double cell. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000352548900004 |
Publication Date |
2015-02-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.791 |
Times cited |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 19.791; 2015 IF: 17.493 |
Call Number |
c:irua:126002 |
Serial |
3545 |
Permanent link to this record |
|
|
|
Author |
Zeng, Y.-J.; Gauquelin, N.; Li, D.-Y.; Ruan, S.-C.; He, H.-P.; Egoavil, R.; Ye, Z.-Z.; Verbeeck, J.; Hadermann, J.; Van Bael, M.J.; Van Haesendonck, C. |
Title |
Co-Rich ZnCoO Nanoparticles Embedded in Wurtzite Zn1-xCoxO Thin Films: Possible Origin of Superconductivity |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
Volume |
7 |
Issue |
7 |
Pages |
22166-22171 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Co-rich ZnCoO nanoparticles embedded in wurtzite Zn0.7Co0.3O thin films are grown by pulsed laser deposition on a Si substrate. Local superconductivity with an onset Tc at 5.9 K is demonstrated in the hybrid system. The unexpected superconductivity probably results from Co(3+) in the Co-rich ZnCoO nanoparticles or from the interface between the Co-rich nanoparticles and the Zn0.7Co0.3O matrix. |
Address |
Solid State Physics and Magnetism Section, KU Leuven , Celestijnenlaan 200 D, BE-3001 Leuven, Belgium |
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
English |
Wos |
000363001500007 |
Publication Date |
2015-09-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244;1944-8252; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.504 |
Times cited |
13 |
Open Access |
|
Notes |
This work has been supported by the Research Foundation − Flanders (FWO, Belgium) as well as by the Flemish Concerted Research Action program (BOF KU Leuven, GOA/14/007). N. G. and J. V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Flemish Hercules Foundation. The work at Shenzhen University was supported by National Natural Science Foundation of China under Grant No. 61275144 and Natural Science Foundation of SZU. Y.-J. Z. acknowledges funding under grant No. SKL2015-12 from the State Key Laboratory of Silicon Materials; ECASJO_; |
Approved |
Most recent IF: 7.504; 2015 IF: 6.723 |
Call Number |
c:irua:129195 c:irua:129195UA @ admin @ c:irua:129195 |
Serial |
3949 |
Permanent link to this record |
|
|
|
Author |
Govorov, V.A.; Abakumov, A.M.; Rozova, M.G.; Borzenko, A.G.; Vassiliev, S.Y.; Mazin, V.M.; Afanasov, M.I.; Fabritchnyi, P.B.; Tsirlina, G.A.; Antipov, E.V.; Morozova, E.N.; Gippius, A.A.; Ivanov, V.V.; Van Tendeloo, G. |
Title |
Sn2-2xSbxFexO4 solid solutions as possible inert anode materials in aluminum electrolysis |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
17 |
Issue |
11 |
Pages |
3004-3011 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000229656000030 |
Publication Date |
2005-05-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2005 IF: 4.818 |
Call Number |
UA @ lucian @ c:irua:59053 |
Serial |
3554 |
Permanent link to this record |
|
|
|
Author |
Whaley, L.W.; Lobanov, M.V.; Sheptyakov, D.; Croft, M.; Ramanujachary, K.V.; Lofland, S.; Stephens, P.W.; Her, J.H.; Van Tendeloo, G.; Rossell, M.; Greenblatt, M.; |
Title |
Sr3Fe5/4Mo3/4O6.9, an n = 2 Ruddlesden-Popper phase: synthesis and properties |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
18 |
Issue |
15 |
Pages |
3448-3457 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000239085900010 |
Publication Date |
2006-06-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
Call Number |
UA @ lucian @ c:irua:60579 |
Serial |
3560 |
Permanent link to this record |
|
|
|
Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Kovba, M.L.; Skolis, Y.Y.; Mudretsova, S.N.; Antipov, E.V.; Volkova, O.S.; Vasiliev, A.N.; Tristan, N.; Klingeler, R.; Büchner, B. |
Title |
[SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
19 |
Issue |
5 |
Pages |
1181-1189 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000244467800035 |
Publication Date |
2007-02-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
9 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2007 IF: 4.883 |
Call Number |
UA @ lucian @ c:irua:62525 |
Serial |
3561 |
Permanent link to this record |
|
|
|
Author |
Verbeeck, J.; Lebedev, O.I.; Van Tendeloo, G.; Mercey, B. |
Title |
SrTiO3(100)/(LaMnO3)m(SrMnO3)n layered heterostructures: a combined EELS and TEM study |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
66 |
Issue |
18 |
Pages |
184426 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Epitaxially grown heterostructures consisting of alternating layers of LaMnO(3) (LMO, 9 or 15 unit cells) and SrMnO(3) (SMO, 4 or 6 unit cells) on a SrTiO(3)(100) (STO(100)) substrate have been studied by a combination of high resolution transmission electron microscopy (HRTEM), electron diffraction, quantitative electron energy loss spectroscopy (EELS) with model fitting, energy filtered TEM (EFTEM) and imaging spectroscopy on an atomic scale. The combination of these techniques is necessary for the structural, chemical, and electronic characterization of these heterostructures. A model is proposed containing chemically and structurally sharp interfaces. The SrMnO(3) layers are stabilized in a Pm3m structure between two LMO layers. Tensile stress causes oxygen deficiency in the SMO layers increasing the number of 3d electrons on the Mn sites to resemble the Mn(3+) sites in LMO. The energy loss near edge structure (ELNES) of O and Mn is compared for both LMO and SMO layers and shows that the Mn-O bonds have a partially covalent character. The absence of a strong valency effect in the Mn ELNES is due to the oxygen vacancies in SMO. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000179633100062 |
Publication Date |
2002-11-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:54741 |
Serial |
3563 |
Permanent link to this record |
|
|
|
Author |
Baelus, B.J.; Peeters, F.M. |
Title |
The effect of surface defects on the vortex expulsion and penetration in mesoscopic superconducting disks |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physica: C : superconductivity
T2 – 7th International Conference on Materials and Mechanisms of, Superconductive and High Temperature Superconductors, MAY 25-30, 2003, Rio de Janeiro, BRAZIL |
Abbreviated Journal |
Physica C |
Volume |
408 |
Issue |
|
Pages |
543-544 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Within the framework of the nonlinear Ginzburg-Landau theory we investigate how the vortex expulsion and penetration fields are influenced by the presence of surface defects in superconducting disks with zero thickness. We studied different types and sizes of defects. (C) 2004 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000224051700228 |
Publication Date |
2004-08-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.404; 2004 IF: 1.072 |
Call Number |
UA @ lucian @ c:irua:102759 |
Serial |
3576 |
Permanent link to this record |
|
|
|
Author |
Nistor, L.; Teodorescu, V.; Ghica, C.; van Landuyt, J.; Dinca, G.; Georgeoni, P. |
Title |
The influence of the h-BN morphology and structure on the c-BN growth |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Diamond and related materials
T2 – 11th European Conference on Diamond, Diamond-like Materials, Carbon, Nanotubes, Nitrides and Silicon Carbide (Diamond 2000), SEP 03-08, 2000, OPORTO, PORTUGAL |
Abbreviated Journal |
Diam Relat Mater |
Volume |
10 |
Issue |
3-7 |
Pages |
1352-1356 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The morphology and structure of hexagonal graphitic BN (h-BN) powders with graphitization indices GI <5, used as precursors for the synthesis of cubic BN (c-BN) crystals, has been investigated by transmission electron microscopy in diffraction contrast and high resolution. We show that besides the GI, which is a general parameter for controlling the structural quality of h-EN ponders, some other microstructural features strongly influence the synthesis of c-BN. In our opinion, the high reactivity of some h-BN powders results from the presence of some nucleation centers for c-BN, observed at the edges of the h-BN particles. They are formed by a rearrangement of the graphitic (0002) planes by bending back, joining in pairs and forming locally nanoarches (half nanotubes). In these particular places, the nature of bonding locally turns towards sp(3), as in the case of c-BN, (C) 2001 Elsevier Science B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000168730600206 |
Publication Date |
2002-10-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.561 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.561; 2001 IF: 1.902 |
Call Number |
UA @ lucian @ c:irua:103421 |
Serial |
3586 |
Permanent link to this record |
|
|
|
Author |
Bussmann-Holder, A.; Michel, K.H. |
Title |
The isotope effect in hydrogen-bonded systems |
Type |
A1 Journal article |
Year |
1998 |
Publication |
International journal of modern physics: B: condensed matter physics, statistical physics, applied physics
T2 – 1st International Conference on New Theories, Discoveries, and, Applications of Superconductors and Related Materials (New3SC-1), FEB 19-24, 19 |
Abbreviated Journal |
Int J Mod Phys B |
Volume |
12 |
Issue |
29-31 |
Pages |
3406-3408 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ... H ... O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Singapore |
Editor |
|
Language |
|
Wos |
000079114500104 |
Publication Date |
2003-10-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0217-9792;1793-6578; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
0.736 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 0.736; 1998 IF: 0.987 |
Call Number |
UA @ lucian @ c:irua:102920 |
Serial |
3589 |
Permanent link to this record |
|
|
|
Author |
Stuer, C.; van Landuyt, J.; Bender, H.; Rooyackers, R.; Badenes, G. |
Title |
The use of convergent beam electron diffraction for stress measurements in shallow trench isolation structures |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Materials science in semiconductor processing |
Abbreviated Journal |
Mat Sci Semicon Proc |
Volume |
4 |
Issue |
1/3 |
Pages |
117-119 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Shallow trench isolation (STI) is a promising technology for the isolation structures of the new generation of ULSI devices with dimensions below 0.18 mum. The various processing steps cause stress fields in STI structures, which can lead to defect formation in the silicon substrate. In their turn, stress fields affect the electrical parameters and the reliability of devices. Convergent beam electron diffraction (CBED) is used in this study to examine the influence of a wet and a dry pre-gate oxidation on the stress distribution around STI structures. The measurements are performed on STI structures with different width and spacing. CBED analysis is compared with bright-field TEM images. Defects are observed in high-strain areas of small isolated structures. (C) 2001 Elsevier Science Ltd. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000167727200028 |
Publication Date |
2002-10-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1369-8001; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.359 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.359; 2001 IF: 0.419 |
Call Number |
UA @ lucian @ c:irua:94968 |
Serial |
3602 |
Permanent link to this record |
|
|
|
Author |
Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A. |
Title |
Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
23 |
Issue |
6 |
Pages |
1414-1423 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000288291400011 |
Publication Date |
2011-02-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
9 |
Open Access |
|
Notes |
Iwt; Fwo; Esteem 026019; Iap |
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
Call Number |
UA @ lucian @ c:irua:87642 |
Serial |
3605 |
Permanent link to this record |
|
|
|
Author |
Mlinar, V.; Schliwa, A.; Bimberg, D.; Peeters, F.M. |
Title |
Theoretical study of electronic and optical properties of inverted GaAs/AlxGa1-xAs quantum dots with smoothed interfaces in an external magnetic field |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
75 |
Issue |
|
Pages |
205308,1-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000246890900065 |
Publication Date |
2007-09-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
Call Number |
UA @ lucian @ c:irua:69652 |
Serial |
3610 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Verberck, B. |
Title |
Theory of rigid-plane phonon modes in layered crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
9 |
Pages |
094303-094303,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000301646000006 |
Publication Date |
2012-03-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
Permanent link to this record |
|
|
|
Author |
Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. |
Title |
Thermal properties of fluorinated graphene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
10 |
Pages |
104114-104116 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114 |
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Wos |
000316933500002 |
Publication Date |
2013-03-29 |
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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 |
Impact Factor |
3.836 |
Times cited |
80 |
Open Access |
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Notes |
; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:108495 |
Serial |
3629 |
Permanent link to this record |
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Author |
Costamagna, S.; Neek-Amal, M.; Los, J.H.; Peeters, F.M. |
Title |
Thermal rippling behavior of graphane |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
4 |
Pages |
041408-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene. |
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Place of Publication |
Lancaster, Pa |
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Wos |
000306649200002 |
Publication Date |
2012-07-23 |
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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 |
Impact Factor |
3.836 |
Times cited |
46 |
Open Access |
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Notes |
; We thank A. Fasolino, A. Dobry, and K. H. Michel for their useful comments. S.C. is supported by the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100840 |
Serial |
3630 |
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Author |
Nistor, L.C.; Richard, O.; Zhao, C.; Bender, H.; Van Tendeloo, G. |
Title |
Thermal stability of atomic layer deposited Zr:Al mixed oxide thin films: an in situ transmission electron microscopy study |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of materials research |
Abbreviated Journal |
J Mater Res |
Volume |
20 |
Issue |
7 |
Pages |
1741-1750 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Place of Publication |
New York, N.Y. |
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Wos |
000230296100012 |
Publication Date |
2005-07-12 |
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Series Issue |
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Edition |
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ISSN |
0884-2914;2044-5326; |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
1.673 |
Times cited |
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Open Access |
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Notes |
Bil 01/73; IAP V-1 |
Approved |
Most recent IF: 1.673; 2005 IF: 2.104 |
Call Number |
UA @ lucian @ c:irua:54884 |
Serial |
3631 |
Permanent link to this record |
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Author |
Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. |
Title |
Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
21 |
Issue |
31 |
Pages |
11556-11565 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs. |
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Place of Publication |
Cambridge |
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Wos |
000293190200018 |
Publication Date |
2011-04-21 |
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Edition |
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ISSN |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
44 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:91945 |
Serial |
3632 |
Permanent link to this record |
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Author |
Van Duppen, B.; Peeters, F.M. |
Title |
Thermodynamic properties of the electron gas in multilayer graphene in the presence of a perpendicular magnetic field |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
24 |
Pages |
245429-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The thermodynamic properties of the electron gas in multilayer graphene depend strongly on the number of layers and the type of stacking. Here we analyze how those properties change when we vary the number of layers for rhombohedral stacked multilayer graphene and compare our results with those from a conventional two-dimensional electron gas. We show that the highly degenerate zero-energy Landau level which is partly filled with electrons and partly with holes has a strong influence on the values of the different thermodynamic quantities. |
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Wos |
000328686900006 |
Publication Date |
2014-01-09 |
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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 |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
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Notes |
; The authors would like to thank C. De Beule for enlightening discussions. This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B.V.D., and the Methusalem Program of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:113700 |
Serial |
3635 |
Permanent link to this record |