Records |
Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000300931900004 |
Publication Date |
2012-02-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
Permanent link to this record |
|
|
|
Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
51 |
Issue |
1 |
Pages |
146-150 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000296214300020 |
Publication Date |
2011-08-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0927-0256; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.292; 2012 IF: 1.878 |
Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
Permanent link to this record |
|
|
|
Author |
Pina, J.C.; de Souza Silva, C.C.; Milošević, M.V. |
Title |
Stability of fractional vortex states in a two-band mesoscopic superconductor |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
2 |
Pages |
024512 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the stability of noncomposite fractional vortex states in a mesoscopic two-band superconductor within the two-component Ginzburg-Landau model. Our analysis explicitly takes into account the relationship between the model parameters and microscopic material parameters, such as partial density of states, Fermi velocities and elements of the electron-phonon coupling matrix. We have found that states with different phase winding number in each band (L-1 not equal L-2) and fractional flux can exist in many different configurations, including rather unconventional ones where the dominating band carries larger winding number and states where vertical bar L-1 – L-2 vertical bar > 1. We present a detailed analysis of the stability of the observed vortex structures with respect to changing the microscopic parameters, showing that, in the weak coupling case, fractional vortex states can be assessed in essentially the whole range of temperatures and applied magnetic fields in which both bands are active. Finally, we propose an efficient way of increasing the range of parameters for which these fractional vortex states can be stabilized. In particular, our proposal allows for observation of fractional vortex structures in materials with stronger coupling, where those states are forbidden at a homogeneous field. This is accomplished with the help of the stray fields of a suitably prepared magnetic dot placed nearby the superconducting disk. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000306309600006 |
Publication Date |
2012-07-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
; We thank Eric B. Claude, Miguel A. Zorro, and Rogerio M. da Silva for assistance in the development of the numerical code used in our simulations. This work was supported by the Brazilian science agencies CNPq and FACEPE, by the FACEPE/CNPq-PRONEX program, under Grant No. APQ-0589-1.05/08, and by CNPq-FWO Brazil-Flanders co-operation program. M.V.M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100766 |
Serial |
3126 |
Permanent link to this record |
|
|
|
Author |
Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. |
Title |
Stability of Sb-Te layered structures : first-principles study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
14 |
Pages |
144114-144114,8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000303115400004 |
Publication Date |
2012-04-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98255 |
Serial |
3129 |
Permanent link to this record |
|
|
|
Author |
Van Aert, S. |
Title |
Statistical parameter estimation theory : a tool for quantitative electron microscopy |
Type |
H1 Book chapter |
Year |
2012 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
281-309 |
Keywords |
H1 Book chapter; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Wiley-VCH |
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
978-3-527-31706-6 |
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:96693 |
Serial |
3159 |
Permanent link to this record |
|
|
|
Author |
Grzelczak, M.; Sánchez-Iglesias, A.; Heidari Mezerji, H.; Bals, S.; Pérez-Juste, J.; Liz-Marzán, L.M. |
Title |
Steric hindrance induces crosslike self-assembly of gold nanodumbbells |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
Volume |
12 |
Issue |
8 |
Pages |
4380-4384 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In the formation of colloidal molecules, directional interactions are crucial for controlling the spatial distribution of the building blocks. Anisotropic nanoparticles facilitate directional clustering via steric constraints imposed by each specific shape, thereby restricting assembly along certain directions. We show in this Letter that the combination of patchiness (attraction) and shape (steric hindrance) allows assembling gold nanodumbbell building blocks into crosslike dimers with well-controlled interparticle distance and relative orientation. Steric hindrance between interacting dumbbell-like particles opens up a new synthetic approach toward low-symmetry plasmonic clusters, which may significantly contribute to understand complex plasmonic phenomena. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington |
Editor |
|
Language |
|
Wos |
000307211000081 |
Publication Date |
2012-07-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.712 |
Times cited |
85 |
Open Access |
|
Notes |
Nanodirect 213948-2; 262348 Esmi |
Approved |
Most recent IF: 12.712; 2012 IF: 13.025 |
Call Number |
UA @ lucian @ c:irua:101900 |
Serial |
3161 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Strain-engineered graphene through a nanostructured substrate : 1 : deformations |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
19 |
Pages |
195445-195445,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using atomistic simulations we investigate the morphological properties of graphene deposited on top of a nanostructured substrate. Sinusoidally corrugated surfaces, steps, elongated trenches, one-dimensional and cubic barriers, spherical bubbles, Gaussian bumps, and Gaussian depressions are considered as support structures for graphene. The graphene-substrate interaction is governed by van der Waals forces and the profile of the graphene layer is determined by minimizing the energy using molecular dynamics simulations. Based on the obtained optimum configurations, we found that (i) for graphene placed over sinusoidally corrugated substrates with corrugation wavelengths longer than 2 nm, the graphene sheet follows the substrate pattern while for supported graphene it is always suspended across the peaks of the substrate, (ii) the conformation of graphene to the substrate topography is enhanced when increasing the energy parameter in the van der Waals model, (iii) the adhesion of graphene into the trenches depends on the width of the trench and on the graphene's orientation, i. e., in contrast to a small-width (3 nm) nanoribbon with armchair edges, the one with zigzag edges follows the substrate profile, (iv) atomic-scale graphene follows a Gaussian bump substrate but not the substrate with a Gaussian depression, and (v) the adhesion energy due to van der Waals interaction varies in the range [0.1-0.4] J/m(2). |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000304394800012 |
Publication Date |
2012-05-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
62 |
Open Access |
|
Notes |
; We thank L. Covaci and S. Costamagna for valuable comments. We acknowledge M. Zarenia, M. R. Masir and D. Nasr for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and ESF EUROCORE program EuroGRAPHENE: CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98942 |
Serial |
3166 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Strain-engineered graphene through a nanostructured substrate : 2 : pseudomagnetic fields |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
19 |
Pages |
195446-195446,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The strain-induced pseudomagnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. A step, an elongated trench, a one-dimensional barrier, a spherical bubble, a Gaussian bump, and a Gaussian depression are considered as support structures for graphene. From the obtained optimum configurations we found very strong induced pseudomagnetic fields which can reach up to similar to 1000 T due to the strain-induced deformations in the supported graphene. Different magnetic confinements with controllable geometries are found by tuning the pattern of the substrate. The resulting induced magnetic fields for graphene on top of a step, barrier, and trench are calculated. In contrast to the step and trench the middle part of graphene on top of a barrier has zero pseudomagnetic field. This study provides a theoretical background for designing magnetic structures in graphene by nanostructuring substrates. We found that altering the radial symmetry of the deformation changes the sixfold symmetry of the induced pseudomagnetic field. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000304394800013 |
Publication Date |
2012-05-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
31 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the ESF EUROCORE program EuroGRAPHENE: CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98943 |
Serial |
3167 |
Permanent link to this record |
|
|
|
Author |
Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B. |
Title |
Strain-induced band gaps in bilayer graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
12 |
Pages |
125403-125403,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000301113200005 |
Publication Date |
2012-03-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
53 |
Open Access |
|
Notes |
; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97181 |
Serial |
3168 |
Permanent link to this record |
|
|
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. |
Title |
Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nano Research |
Abbreviated Journal |
Nano Res |
Volume |
5 |
Issue |
1 |
Pages |
43-48 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2). |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000299085200006 |
Publication Date |
2011-11-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
1998-0124;1998-0000; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.354 |
Times cited |
407 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.354; 2012 IF: 7.392 |
Call Number |
UA @ lucian @ c:irua:96262 |
Serial |
3169 |
Permanent link to this record |
|
|
|
Author |
Gardner, G.P.; Go, Y.B.; Robinson, D.M.; Smith, P.F.; Hadermann, J.; Abakumov, A.; Greenblatt, M.; Dismukes, G.C. |
Title |
Structural requirements in lithium cobalt oxides for the catalytic oxidation of water |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
51 |
Issue |
7 |
Pages |
1616-1619 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000299946400020 |
Publication Date |
2012-01-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
119 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 11.994; 2012 IF: 13.734 |
Call Number |
UA @ lucian @ c:irua:99173 |
Serial |
3258 |
Permanent link to this record |
|
|
|
Author |
Galván Moya, J.E.; Nelissen, K.; Peeters, F.M. |
Title |
Structural transitions in vertically and horizontally coupled parabolic channels of Wigner crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
18 |
Pages |
184102-184109 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Structural phase transitions in two vertically or horizontally coupled channels of strongly interacting particles are investigated. The particles are free to move in the x direction but are confined by a parabolic potential in the y direction. They interact with each other through a screened power-law potential (r(-n)e(-r/lambda)). In vertically coupled systems, the channels are stacked above each other in the direction perpendicular to the (x, y) plane, while in horizontally coupled systems both channels are aligned in the confinement direction. Using Monte Carlo (MC) simulations we obtain the ground-state configurations and the structural transitions as a function of the linear particle density and the separation between the channels. At zero temperature, the vertically coupled system exhibits a rich phase diagram with continuous and discontinuous transitions. On the other hand, the horizontally coupled system exhibits only a very limited number of phase transitions due to its symmetry. Further, we calculated the normal modes for the Wigner crystals in both cases. From MC simulations, we found that in the case of vertically coupled systems, the zigzag transition is only possible for low densities. A Ginzburg-Landau theory for the zigzag transition is presented, which predicts correctly the behavior of this transition from which we interpret the structural phase transition of the Wigner crystal through the reduction of the Brillouin zone. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000310683600002 |
Publication Date |
2012-11-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:105150 |
Serial |
3271 |
Permanent link to this record |
|
|
|
Author |
Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G. |
Title |
Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
192 |
Issue |
|
Pages |
186-194 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000307028300030 |
Publication Date |
2012-03-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
Call Number |
UA @ lucian @ c:irua:101119 |
Serial |
3279 |
Permanent link to this record |
|
|
|
Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
Title |
Structures and magnetism of La1-xSrxMnO3-(0.5+x)/2 (0.67\leq x\leq1) phases |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
24 |
Issue |
8 |
Pages |
1486-1495 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Topotactic reduction of La1-xSrxMnO3 (0.67 <= x <= 1) phases with sodium hydride yields a series of isoelectronic materials of composition La1-xSrxMnO3-(0.5+x)/2. Lanthanum rich members of the series (0.67 <= x <= 0.83) adopt anion deficient perovskite structures with a 6-layer -OTOOT'O- stacking sequence of sheets of octahedra/square-based pyramids (O) and sheets of tetrahedra (T). The strontium rich members of the series (0.83 <= x <= 1) incorporate “step defects” into this 6-layer structure in which the OTOOT'O stacking sequence is converted into either OOTOOT' or TOOT'OO at a defect plane which runs perpendicular to the [201] lattice plane. The step defects appear to provide a mechanism to relieve lattice strain and accommodate additional anion deficiency in phases with x > 0.83. Magnetization and neutron diffraction data indicate La1-xSrxMnO3-(0.5+x)/2 phases adopt antiferromagnetically ordered states at low-temperature in which the ordered arrangement of magnetic spins is incommensurate with the crystallographic lattice. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000303092300011 |
Publication Date |
2012-03-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
13 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
Call Number |
UA @ lucian @ c:irua:98253 |
Serial |
3318 |
Permanent link to this record |
|
|
|
Author |
Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Ghijsen, J.; Ewels, C.P. |
Title |
Study of the interaction between copper and carbon nanotubes |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
535 |
Issue |
|
Pages |
80-83 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Copper deposited by thermal evaporation onto pristine and oxygen plasma treated carbon nanotubes (CNTs) diffuse over the CNT surface, coalescing and forming crystalline islands. The nucleation sites of the islands are preferentially defects, and more homogeneous island dispersion was observed at the CNT oxygen functionalized surface. The presence of weakly bound oxygen atoms at the CNT surface induces the formation of CuO bonds at the Cu/CNT interface, as described through density functional calculations. Exposure to air allows further oxidation to facetted crystalline Cu2O. Oxygen plasma pre-treatment represents a promising route for homogenous disperse Cu2O nanoparticle decoration of CNTs. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000303437900015 |
Publication Date |
2012-03-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.815 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.815; 2012 IF: 2.145 |
Call Number |
UA @ lucian @ c:irua:97704 |
Serial |
3336 |
Permanent link to this record |
|
|
|
Author |
Schattschneider, P.; Stöger-Pollach, M.; Löffler, S.; Steiger-Thirsfeld, A.; Hell, J.; Verbeeck, J. |
Title |
Sub-nanometer free electrons with topological charge |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
115 |
Issue |
|
Pages |
21-25 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The holographic mask technique is used to create freely moving electrons with quantized angular momentum. With electron optical elements they can be focused to vortices with diameters below the nanometer range. The understanding of these vortex beams is important for many applications. Here, we produce electron vortex beams and compare them to a theory of electrons with topological charge. The experimental results show excellent agreement with simulations. As an immediate application, fundamental experimental parameters like spherical aberration and partial coherence are determined. (C) 2012 Elsevier B.V. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000302962400004 |
Publication Date |
2012-01-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
24 |
Open Access |
|
Notes |
vortex ECASJO_; |
Approved |
Most recent IF: 2.843; 2012 IF: 2.470 |
Call Number |
UA @ lucian @ c:irua:98279 |
Serial |
3344 |
Permanent link to this record |
|
|
|
Author |
Zarenia, M.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Substrate-induced chiral states in graphene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
8 |
Pages |
085451 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Unidirectional chiral states are predicted in single layer graphene which originate from the breaking of the sublattice symmetry due to an asymmetric mass potential. The latter can be created experimentally using boron-nitride (BN) substrates with a line defect (B-B or N-N) that changes the induced mass potential in graphene. Solving the Dirac-Weyl equation, the obtained energy spectrum is compared with the one calculated using ab initio density functional calculations. We found that these one-dimensional chiral states are very robust and they can even exist in the presence of a small gap between the mass regions. In the latter case additional bound states are found that are topologically different from those chiral states. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000308005600015 |
Publication Date |
2012-08-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
41 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the European Science Foundation (ESF) under the EUROCORES Program: EuroGRAPHENE (project CONGRAN). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101100 |
Serial |
3347 |
Permanent link to this record |
|
|
|
Author |
Chen, Y.; Shanenko, A.A.; Perali, A.; Peeters, F.M. |
Title |
Superconducting nanofilms : molecule-like pairing induced by quantum confinement |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
24 |
Issue |
18 |
Pages |
185701-185701,8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Quantum confinement of the perpendicular motion of electrons in single-crystalline metallic superconducting nanofilms splits the conduction band into a series of single-electron subbands. A distinctive feature of such a nanoscale multi-band superconductor is that the energetic position of each subband can vary significantly with changing nanofilm thickness, substrate material, protective cover and other details of the fabrication process. It can occur that the bottom of one of the available subbands is situated in the vicinity of the Fermi level. We demonstrate that the character of the superconducting pairing in such a subband changes dramatically and exhibits a clear molecule-like trend, which is very similar to the well-known crossover from the Bardeen-Cooper-Schrieffer regime to Bose-Einstein condensation (BCS-BEC) observed in trapped ultracold fermions. For Pb nanofilms with thicknesses of 4 and 5 monolayers (MLs) this will lead to a spectacular scenario: up to half of all the Cooper pairs nearly collapse, shrinking in the lateral size (parallel to the nanofilm) down to a few nanometers. As a result, the superconducting condensate will be a coherent mixture of almost molecule-like fermionic pairs with ordinary, extended Cooper pairs. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000303500900018 |
Publication Date |
2012-04-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
26 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). AAS thanks A Bianconi, M D Croitoru and A V Vagov for useful discussions. AAS acknowledges the hospitality and fruitful interactions with G C Strinati, P Pieri and D Neilson during his visit to the University of Camerino, supported by the School of Advanced Studies of the University of Camerino. ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
Call Number |
UA @ lucian @ c:irua:98223 |
Serial |
3357 |
Permanent link to this record |
|
|
|
Author |
Chen, Y.; Shanenko, A.A.; Peeters, F.M. |
Title |
Superconducting transition temperature of Pb nanofilms : impact of thickness-dependent oscillations of the phonon-mediated electron-electron coupling |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
22 |
Pages |
224517-224517,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
To date, several experimental groups reported measurements of the thickness dependence of T-c of atomically uniform single-crystalline Pb nanofilms. The reported amplitude of the T-c oscillations varies significantly from one experiment to another. Here we propose that the reason for this unresolved issue is an interplay of the quantum-size variations in the single-electron density of states with thickness-dependent oscillations in the phonon-mediated electron-electron coupling. Such oscillations in the coupling depend on the substrate material, the quality of the interface, the protection cover, and other details of the fabrication process, changing from one experiment to another. This explains why the available data do not exhibit one-voice consistency about the amplitude of the T-c oscillations. Our analyses are based on a numerical solution of the Bogoliubov-de Gennes equations for a superconducting slab. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000305251300006 |
Publication Date |
2012-06-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
24 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:99076 |
Serial |
3368 |
Permanent link to this record |
|
|
|
Author |
Chen, Y. |
Title |
Superconductivity in nanofilms and nanocylinders |
Type |
Doctoral thesis |
Year |
2012 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:99024 |
Serial |
3373 |
Permanent link to this record |
|
|
|
Author |
Charkin, D.O.; Urmanov, A.V.; Kazakov, S.M.; Batuk, D.; Abakumov, A.M.; Knöner, S.; Gati, E.; Wolf, B.; Lang, M.; Shevelkov, A.V.; Van Tendeloo, G.; Antipov, E.V.; |
Title |
Synthesis, crystal structure, transport, and magnetic properties of novel ternary copper phosphides, A2Cu6P5(A = Sr, Eu) and EuCu4P3 |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
51 |
Issue |
16 |
Pages |
8948-8955 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Three new ternary copper phosphides, Sr2Cu6P5, Eu2Cu6P5, and EuCu4P3, have been synthesized from the elements in evacuated silica capsules. Eu2Cu6P5 and Sr2Cu6P5 adopt the Ca2Cu6P5-type structure, while EuCu4P3 is isostructural to BaMg4Si3 and still remains the only representative of this structure type among the ternary Cu pnictides. All three materials show metallic conductivity in the temperature range 2 K <= T <= 290 K, with no indication for superconductivity. For Eu2Cu6P5 and EuCu4P3, long-range magnetic order was observed, governed by 4f local moments on the Eu atoms with predominant ferromagnetic interactions. While Eu2Cu6P5 shows a single ferromagnetic transition at T-C = 34 K, the magnetic behavior of EuCu4P3 is more complex, giving rise to three consecutive magnetic phase transitions at 70, 43, and 18 K. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000307606200042 |
Publication Date |
2012-07-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
Call Number |
UA @ lucian @ c:irua:102217 |
Serial |
3453 |
Permanent link to this record |
|
|
|
Author |
Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P. |
Title |
Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
156 |
Issue |
|
Pages |
62-72 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000303625200010 |
Publication Date |
2012-02-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
8 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 3.615; 2012 IF: 3.365 |
Call Number |
UA @ lucian @ c:irua:96910 |
Serial |
3466 |
Permanent link to this record |
|
|
|
Author |
Liu, J.; Jin, J.; Deng, Z.; Huang, S.Z.; Hu, Z.Y.; Wang, L.; Wang, C.; Chen, L.H.; Li, Y.; Van Tendeloo, G.; Su, B.L.; |
Title |
Tailoring CuO nanostructures for enhanced photocatalytic property |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
J Colloid Interf Sci |
Volume |
384 |
Issue |
|
Pages |
1-9 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report on one-pot synthesis of various morphologies of CuO nanostructures. PEG200 as a structure directing reagent under the synergism of alkalinity by hydrothermal method has been employed to tailor the morphology of CuO nanostructures. The CuO products have been characterized by XRD, SEM, and TEM. The morphologies of the CuO nanostructures can be tuned from 10 (nanoseeds, nanoribbons) to 2D (nanoleaves) and to 3D (shuttle-like, shrimp-like, and nanoflowers) by changing the volume of PEG200 and the alkalinity in the reaction system. At neutral and relatively low alkalinity (OH-/Cu2+ <= 3), the addition of PEG200 can strongly influence the morphologies of the CuO nanostructures. At high alkalinity (OH/Cu2+ >= 4), PEG200 has no influence on the morphology of the CuO nanostructure. The different morphologies of the CuO nanostructures have been used for the photodecomposition of the pollutant rhodamine B (RhB) in water. The photocatalytic activity has been correlated with the different nanostructures of CuO. The 10 CuO nanoribbons exhibit the best performance on the RhB photodecomposition because of the exposed high surface energy {-121} crystal plane. The photocatalytic results show that the high energy surface planes of the CuO nanostructures mostly affect the photocatalytic activity rather than the morphology of the CuO nanostructures. Our synthesis method also shows it is possible to control the morphologies of nanostructures in a simple way. (C) 2012 Elsevier Inc. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000308337700001 |
Publication Date |
2012-06-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9797; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.233 |
Times cited |
105 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.233; 2012 IF: 3.172 |
Call Number |
UA @ lucian @ c:irua:101796 |
Serial |
3468 |
Permanent link to this record |
|
|
|
Author |
Pachoud, E.; Bréard, Y.; Martin, C.; Maignan, A.; Abakumov, A.M.; Suard, E.; Smith, R.I.; Suchomel, M.R. |
Title |
Bi0.75Sr0.25FeO3-\delta : revealing order/disorder phenomena by combining diffraction techniques |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
152 |
Issue |
5 |
Pages |
331-336 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The local and long range structure of polycrystalline samples of Bi0.75Sr0.25FeO3-delta has been probed by neutron and synchrotron X-ray diffraction coupled with transmission electron microscopy. It is found that the long range structure on average can be described by the cubic space group Pm-3m (a(p) congruent to 3.951 angstrom). However, the refinements revealed large atomic displacements for the (Bi, Sr) cations and the oxygen atoms from their ideal positions. The electron microscopy study indicates the existence of local phenomena like local ordering of oxygen vacancies, which are segregated at the randomly spaced parallel (FeO2-delta) planes, or the existence of region of different symmetry, probably R3c. At room temperature, the compound exhibits G-type antiferromagnetism (T-N congruent to 650 K) with a magnetic moment of congruent to 3.7 mu(B). (C) 2012 Elsevier Ltd. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000301329200001 |
Publication Date |
2011-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.554 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2012 IF: 1.534 |
Call Number |
UA @ lucian @ c:irua:97820 |
Serial |
3516 |
Permanent link to this record |
|
|
|
Author |
Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A. |
Title |
C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal Of Molecular Structure |
Abbreviated Journal |
J Mol Struct |
Volume |
1023 |
Issue |
|
Pages |
90-95 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000308971900017 |
Publication Date |
2012-03-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0022-2860; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.753 |
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.753; 2012 IF: 1.404 |
Call Number |
UA @ lucian @ c:irua:100917 |
Serial |
3519 |
Permanent link to this record |
|
|
|
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 |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000308127600006 |
Publication Date |
2012-08-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
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 |
|
|
|
Author |
Morozov, V.; Arakcheeva, A.; Redkin, B.; Sinitsyn, V.; Khasanov, S.; Kudrenko, E.; Raskina, M.; Lebedev, O.; Van Tendeloo, G. |
Title |
Na2/7Gd4/7MoO4 : a modulated scheelite-type structure and conductivity properties |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
51 |
Issue |
9 |
Pages |
5313-5324 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Scheelite-type compounds with the general formula (A1,A2)n[(B1,B2)O4]m (2/3 ≤ n/m ≤ 3/2) are the subject of large interest owing to their stability, relatively simple preparation, and optical properties. The creation of cation vacancies (□) in the scheelite-type framework and the ordering of A cations and vacancies can be a new factor in controlling the scheelite-type structure and properties. For a long time, cation-deficient Nd3+:M2/7Gd4/7□1/7MoO4 (M = Li, Na) compounds were considered as potential lasers with diode pumping. They have a defect scheelite-type 3D structure (space group I41/a) with a random distribution of Li+(Na+), Gd3+, and vacancies in the crystal. A Na2/7Gd4/7MoO4 single crystal with scheelite-type structure has been grown by the Czochralski method. Transmission electron microscopy revealed that Na2/7Gd4/7MoO4 has a (3 + 2)D incommensurately modulated structure. The (3 + 2)D incommensurately modulated scheelite-type cation-deficient structure of Na2/7Gd4/7MoO4 [super space group I4̅ (αβ0,βα0)00] has been solved from single-crystal diffraction data. The solution of the (3 + 2)D incommensurately modulated structure revealed the partially disordered distribution of vacancies and Na and Gd cations. High-temperature conductivity measurements performed along the [100] and [001] orientation of the single crystal revealed that the conductivity of Na2/7Gd4/7MoO4 at T = 973 K equals σ = 1.13 × 105 Ω1 cm1. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000303952900055 |
Publication Date |
2012-04-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
37 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
Call Number |
UA @ lucian @ c:irua:98385 |
Serial |
3547 |
Permanent link to this record |
|
|
|
Author |
Chernov, S.V.; Dobrovolsky, Y.A.; Istomin, S.Y.; Antipov, E.V.; Grins, J.; Svensson, G.; Tarakina, N.V.; Abakumov, A.M.; Van Tendeloo, G.; Eriksson, S.G.; Rahman, S.M.H.; |
Title |
_Sr{2}GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5 : a play in the octahedra to tetrahedra ratio in oxygen-deficient perovskites |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
51 |
Issue |
2 |
Pages |
1094-1103 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Three different perovskite-related phases were isolated in the SrGa(1-x)Sc(x)O(2.5) system: Sr(2)GaScO(5), Sr(10)Ga(6)Sc(4)O(25), and SrGa(0.75)Sc(0.25)O(2.5), Sr(2)GaScO(5) (x = 0.5) crystallizes in a brownrnillerite-type structure [space group (S.G.) Icmm, a = 5.91048(5) angstrom, b = 15.1594(1) angstrom, and c = 5.70926(4) angstrom] with complete ordering of Sc(3+) and Ga(3+) over octahedral and tetrahedral positions, respectively. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) (x = 0.4) was determined by the Monte Carlo method and refined using a combination of X-ray, neutron, and electron diffraction data [S.G. I4(1)/a, a = 17.517(1) angstrom, c = 32.830(3) angstrom]. It represents a novel type of ordering of the B cations and oxygen vacancies in perovskites. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) can be described as a stacking of eight perovskite layers along the c axis ...[-(Sc/Ga)O(1.6)-SrO(0.8)-(Sc/Ga)O(1.8)-SrO(0.8)-](2 center dot center dot center dot) Similar to Sr(2)GaScO(5), this structure features a complete ordering of the Sc(3+) and Ga(3+) cations over octahedral and tetrahedral positions, respectively, within each layer. A specific feature of the crystal structure of Sr(10)Ga(6)Sc(4)O(25) is that one-third of the tetrahedra have one vertex not connected with other Sc/Ga cations. Further partial replacement of Sc(3+) by Ga(3+) leads to the formation of the cubic perovskite phase SrGa(0.75)Sc(0.25)O(2.5) (x = 0.25) with a = 3.9817(4) angstrom. This compound incorporates water molecules in the structure forming SrGa(0.75)Sc(0.25)O(2.5)center dot xH(2)O hydrate, which exhibits a proton conductivity of similar to 2.0 x 10(-6) S/cm at 673 K. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000299028800042 |
Publication Date |
2011-12-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.857; 2012 IF: 4.593 |
Call Number |
UA @ lucian @ c:irua:96229 |
Serial |
3559 |
Permanent link to this record |
|
|
|
Author |
Wang, B.; Idrissi, H.; Shi, H.; Colla, M.S.; Michotte, S.; Raskin, J.P.; Pardoen, T.; Schryvers, D. |
Title |
Texture-dependent twin formation in nanocrystalline thin Pd films |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
Volume |
66 |
Issue |
11 |
Pages |
866-871 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Nanocrystalline Pd films were produced by electron-beam evaporation and sputter deposition. The electron-beam-evaporated films reveal randomly oriented nanograins with a relatively high density of growth twins, unexpected in view of the high stacking fault energy of Pd. In contrast, sputter-deposited films show a clear 〈1 1 1〉 crystallographic textured nanostructure without twins. These results provide insightful information to guide the generation of microstructures with enhanced strength/ductility balance in high stacking fault energy nanocrystalline metallic thin films. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000303621900007 |
Publication Date |
2012-01-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.747 |
Times cited |
19 |
Open Access |
|
Notes |
Iap; Fwo |
Approved |
Most recent IF: 3.747; 2012 IF: 2.821 |
Call Number |
UA @ lucian @ c:irua:96955 |
Serial |
3566 |
Permanent link to this record |
|
|
|
Author |
De Backer, L.A.; Vos, W.; de Backer, J.; Van Holsbeke, C.; Vinchurkar, S.; de Backer, W. |
Title |
The acute effect of budesonide/formoterol in COPD : a multi-slice computed tomography and lung function study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
European Respiratory Journal |
Abbreviated Journal |
Eur Respir J |
Volume |
40 |
Issue |
2 |
Pages |
298-305 |
Keywords |
A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
The Global Initiative for Chronic Obstructive Lung Disease (GOLD) classification of chronic obstructive pulmonary disease (COPD) does not always match with other clinical disease descriptors such as exacerbation frequency and quality of life, indicating that forced expiratory volume in 1 s (FEV1) is not a perfect descriptor of the disease. The aim of this study was to find out whether changes in airway geometry after inhalation of the most commonly used inhalation therapy in severe COPD can more adequately be described with an image-based approach than with spirometry. 10 COPD GOLD stage III patients were assessed in a double-blind crossover study. Airway volumes were analysed using segmentation of multi-slice computed tomography (MSCT) images; airway resistance was determined using computational fluid dynamics (CFD). Distal airway volume significantly increased (p=0.011) in patients 4 h after receiving a budesonide/formoterol combination from 9.6+/-4.67 cm(3) to 10.14+/-4.81 cm(3). Also CFD-determined airway resistance significantly decreased (p=0.047) from 0.051+/-0.021 kPa.s.L-1 to 0.043+/- 0.019 kPa.s.L-1. None of the lung function parameters showed a significant change. Only functional residual capacity (FRC) showed a trend to decline (p=0.056). Only the image-based parameters were able to predict the visit at which the combination product was administered. This study showed that imaging is a sensitive, complementary tool to describe changes in airway structure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
Language |
|
Wos |
000307291700006 |
Publication Date |
2011-12-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume ![sorted by Series Volume (numeric) field, ascending order (up)](img/sort_asc.gif) |
|
Series Issue |
|
Edition |
|
ISSN |
0903-1936;1399-3003; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
10.569 |
Times cited |
37 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 10.569; 2012 IF: 6.355 |
Call Number |
UA @ lucian @ c:irua:101113 |
Serial |
3568 |
Permanent link to this record |