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Records |
Links |
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Author |
Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M. |
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Title |
Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
4 |
Pages |
045306-045306,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections. |
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Place of Publication |
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Language |
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Wos |
000286771400004 |
Publication Date |
2011-01-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
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Notes |
; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:86905 |
Serial |
510 |
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Permanent link to this record |
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Author |
Klimczuk, T.; Wang, C.H.; Lawrence, J.M.; Xu, Q.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Trouw, F.; Kurita, N.; Tokiwa, Y.; Lee, H.o.; Booth, C.H.; Gardner, J.S.; Bauer, E.D.; Joyce, J.J.; Zandbergen, H.W.; Movshovich, R.; Cava, R.J.; Thompson, J.D.; |
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Title |
Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
7 |
Pages |
075152-075152,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence-band photoemission (PES) and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic neutron scattering (INS) indicates that the eight-fold degenerate J-multiplet of Yb3+ is split by the crystalline electric field (CEF) into a Γ7-doublet ground state and a Γ8 quartet at an excitation energy 20 meV. The magnetic susceptibility can be fit very well by this CEF scheme under the assumption that a Γ6-excited state resides at 32 meV; however, the Γ8/Γ6 transition expected at 12 meV was not observed in the INS. The resistivity follows a Bloch-Grüneisen law shunted by a parallel resistor, as is typical of systems subject to phonon scattering with no apparent magnetic scattering. All of these properties can be understood as representing simple local moment behavior of the trivalent Yb ion. At 1 K there is a peak in specific heat that is too broad to represent a magnetic-phase transition, consistent with absence of magnetic reflections in neutron diffraction. On the other hand this peak also is too narrow to represent the Kondo effect in the Γ7-doublet ground state. On the basis of the field dependence of the specific heat, we argue that antiferromagnetic (AF) short-range order (SRO) (possibly coexisting with Kondo physics) occurs at low temperatures. The long-range magnetic order is suppressed because the Yb site occupancy is below the percolation threshold for this disordered compound. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000293830800003 |
Publication Date |
2011-08-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92427 |
Serial |
555 |
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Permanent link to this record |
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Author |
Klimczuk, T.; Wang, C.H.; Xu, Q.; Lawrence, J.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Bauer, E.D.; Griveau, J.-C.; Sadowski, W.; Zandbergen, H.W.; Thompson, J.D.; Cava, R.J. |
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Title |
Crystal growth of CsCl-type Yb0.24Sn0.76Ru |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
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Volume |
318 |
Issue |
1 |
Pages |
1005-1008 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The YbRuSn ternary system was investigated and a new material, Yb0.24Sn0.76Ru, with a simple cubic crystal structure, was discovered. Yb0.24Sn0.76Ru has a smaller lattice parameter a=3.217(4) Å, than its isostructural YbRu analogue (a=3.360 Å). Both X-ray diffraction and electron microscopy techniques were used to refine the crystal structure of Yb0.24Sn0.76Ru. It was found that a new compound forms in the CsCl structure, with Ru on the 1a site and a (Yb, Sn) mixture on site 1b. The XRD Rietveld analysis provides the occupation of Yb equal to 0.24, in agreement with the single crystal nano-electron diffraction refinement, which gives the occupation 0.21. |
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Corporate Author |
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Place of Publication |
Amsterdam |
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Wos |
000289653900220 |
Publication Date |
2010-10-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-0248; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.751 |
Times cited |
1 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 1.751; 2011 IF: 1.726 |
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Call Number |
UA @ lucian @ c:irua:89966 |
Serial |
556 |
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Permanent link to this record |
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Author |
Sullivan, E.; Hadermann, J.; Greaves, C. |
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Title |
Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
184 |
Issue |
3 |
Pages |
649-654 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0]. |
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Corporate Author |
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Thesis |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000288587800026 |
Publication Date |
2011-01-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
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Call Number |
UA @ lucian @ c:irua:89650 |
Serial |
584 |
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Permanent link to this record |
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Author |
Corthals, S.; van Noyen, J.; Liang, D.; Ke, X.; Van Tendeloo, G.; Jacobs, P.; Sels, B. |
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Title |
A cyclic catalyst pretreatment in CO2 for high yield production of Carbon nanofibers with narrow diameter distribution |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Catalysis letters |
Abbreviated Journal |
Catal Lett |
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Volume |
141 |
Issue |
11 |
Pages |
1621-1624 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This paper presents a cyclic catalyst pretreatment process to improve the CNF yield with narrow size distribution by sequentially feeding the CVD reactor with CH4/CO2 mixtures (carbon deposition) and CO2 (carbon removal) prior to the actual growth process. A mechanism based on a break-up of large Ni particles tentatively explains the beneficial effect of the cyclic carbon deposition/removal CVD procedure. |
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Corporate Author |
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Publisher |
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Place of Publication |
Basel |
Editor |
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Language |
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Wos |
000296471400006 |
Publication Date |
2011-09-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1011-372X;1572-879X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.799 |
Times cited |
1 |
Open Access |
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Notes |
Iwt; Iap |
Approved |
Most recent IF: 2.799; 2011 IF: 2.242 |
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Call Number |
UA @ lucian @ c:irua:91888 |
Serial |
598 |
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Permanent link to this record |
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Author |
Monico, L.; van der Snickt, G.; Janssens, K.; de Nolf, W.; Miliani, C.; Verbeeck, J.; Tian, H.; Tan, H.; Dik, J.; Radepont, M.; Cotte, M. |
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Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of synchrotron X-ray spectromicroscopy and related methods : 1 : artificially aged model samples |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
83 |
Issue |
4 |
Pages |
1214-1223 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
On several paintings by artists of the end of the 19th century and the beginning of the 20th Century a darkening of the original yellow areas, painted with the chrome yellow pigment (PbCrO4, PbCrO4·xPbSO4, or PbCrO4·xPbO) is observed. The most famous of these are the various Sunflowers paintings Vincent van Gogh made during his career. In the first part of this work, we attempt to elucidate the degradation process of chrome yellow by studying artificially aged model samples. In view of the very thin (1−3 μm) alteration layers that are formed, high lateral resolution spectroscopic methods such as microscopic X-ray absorption near edge (μ-XANES), X-ray fluorescence spectrometry (μ-XRF), and electron energy loss spectrometry (EELS) were employed. Some of these use synchrotron radiation (SR). Additionally, microscopic SR X-ray diffraction (SR μ-XRD), μ-Raman, and mid-FTIR spectroscopy were employed to completely characterize the samples. The formation of Cr(III) compounds at the surface of the chrome yellow paint layers is particularly observed in one aged model sample taken from a historic paint tube (ca. 1914). About two-thirds of the chromium that is present at the surface has reduced from the hexavalent to the trivalent state. The EELS and μ-XANES spectra are consistent with the presence of Cr2O3·2H2O (viridian). Moreover, as demonstrated by μ-XANES, the presence of another Cr(III) compound, such as either Cr2(SO4)3·H2O or (CH3CO2)7Cr3(OH)2 [chromium(III) acetate hydroxide], is likely. |
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Corporate Author |
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Place of Publication |
Washington, D.C. |
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Language |
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Wos |
000287176900011 |
Publication Date |
2011-02-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700;1520-6882; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
113 |
Open Access |
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Notes |
Iuap; Fwo |
Approved |
Most recent IF: 6.32; 2011 IF: 5.856 |
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Call Number |
UA @ lucian @ c:irua:88794UA @ admin @ c:irua:88794 |
Serial |
632 |
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Permanent link to this record |
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Author |
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. |
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Title |
A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
49 |
Issue |
3 |
Pages |
1013-1017 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000286683500032 |
Publication Date |
2010-11-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
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Call Number |
UA @ lucian @ c:irua:85139 |
Serial |
639 |
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Permanent link to this record |
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Author |
Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
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Title |
Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
4 |
Issue |
6 |
Pages |
757-767 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40). |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000292214000009 |
Publication Date |
2011-04-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1864-5631; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
24 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
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Call Number |
UA @ lucian @ c:irua:90352 |
Serial |
660 |
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Permanent link to this record |
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Author |
Komendová, L.; Milošević, M.V.; Shanenko, A.A.; Peeters, F.M. |
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Title |
Different length scales for order parameters in two-gap superconductors : extended Ginzburg-Landau theory |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
6 |
Pages |
064522-064522,5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the Ginzburg-Landau theory extended to the next-to-leading order, we determine numerically the healing lengths of the two order parameters at the two-gap superconductor/normal metal interface. We demonstrate on several examples that those can be different even in the strict domain of applicability of the Ginzburg-Landau theory. This justifies the use of this theory to describe relevant physics of two-gap superconductors, distinguishing them from their single-gap counterparts. The calculational degree of complexity increases only slightly with respect to the conventional Ginzburg-Landau expansion, thus the extended Ginzburg-Landau model remains numerically far less demanding compared to the full microscopic approaches. |
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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 |
000294226000013 |
Publication Date |
2011-08-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
56 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92414 |
Serial |
695 |
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Permanent link to this record |
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Author |
Tkachenko, D.V.; Sheridan, T.E.; Misko, V.R. |
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Title |
Dispersion relations for circular single and double dusty plasma chains |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
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Volume |
18 |
Issue |
10 |
Pages |
103709,1-103709,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We derive dispersion relations for a system of identical particles confined in a two-dimensional annular harmonic well and which interact through a Yukawa potential, e.g., a dusty plasma ring. When the particles are in a single chain (i.e., a one-dimensional ring), we find a longitudinal acoustic mode and a transverse optical mode which show approximate agreement with the dispersion relation for a straight configuration for large radii of the ring. When the radius decreases, the dispersion relations modify: there appears an anticrossing of the modes near the crossing point resulting in a frequency gap between the lower and upper branches of the modified dispersion relations. For the double chain (i.e., a two-dimensional zigzag configuration), the dispersion relation has four branches: longitudinal acoustic and optical and transverse acoustic and optical. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Woodbury, N.Y. |
Editor |
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Language |
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Wos |
000296529600090 |
Publication Date |
2011-10-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1070-664X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.115 |
Times cited |
7 |
Open Access |
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Notes |
; We acknowledge fruitful discussions with F.M. Peeters, A. Matulis, and W.P. Ferreira. This work was supported by the “Odysseus” program of the Flemish Government and FWO-Vl. ; |
Approved |
Most recent IF: 2.115; 2011 IF: 2.147 |
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Call Number |
UA @ lucian @ c:irua:94052 |
Serial |
738 |
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Permanent link to this record |
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Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R. |
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Title |
Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
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Volume |
51 |
Issue |
10 |
Pages |
103041,1-103041,3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vienna |
Editor |
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Language |
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Wos |
000296603800043 |
Publication Date |
2011-09-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0029-5515;1741-4326; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.307 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.307; 2011 IF: 4.090 |
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Call Number |
UA @ lucian @ c:irua:93761 |
Serial |
821 |
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Permanent link to this record |
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Author |
Khalil-Allafi, J.; Amin-Ahmadi, B. |
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Title |
Effect of mold hardness on microstructure and contraction porosity in ductile cast iron |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of iron and steel research international |
Abbreviated Journal |
J Iron Steel Res Int |
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Volume |
18 |
Issue |
4 |
Pages |
44-47 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of mold hardness on the microstructure of ductile iron and the contraction porosity was investigated. Molds with different hardnesses (0.41, 0.48, 0.55, 0.62 MPa) and a sand mold prepared by Co2 method were used. The influence of silicon content on the induced expansion pressure owing to the formation of graphite was also investigated. The contraction during solidification can be compensated by an induced expansion owing to the graphite relief when the hardness of mold increases; therefore, the possibility of achieving a sound product without using any riser increases. |
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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 |
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Publication Date |
2011-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1006-706X; |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
0.836 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.836; 2011 IF: 0.213 |
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Call Number |
UA @ lucian @ c:irua:122044 |
Serial |
823 |
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Permanent link to this record |
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Author |
De Backer, L.; Vos, W.; Dieriks, B.; Daems, D.; Verhulst, S.; Vinchurkar, S.; Ides, K.; de Backer, J.; Germonpré, P.; de Backer, W. |
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Title |
The effects of long-term noninvasive ventilation in hypercapnic COPD patients : a randomized controlled pilot study |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
International journal of chronic obstructive pulmonary disease |
Abbreviated Journal |
Int J Chronic Obstr |
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Volume |
6 |
Issue |
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Pages |
615-624 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Introduction: Noninvasive ventilation (NIV) is a well-established treatment for acute-on-chronic respiratory failure in hypercapnic COPD patients. Less is known about the effects of a long-term treatment with NIV in hypercapnic COPD patients and about the factors that may predict response in terms of improved oxygenation and lowered CO2 retention.Methods: In this study, we randomized 15 patients to a routine pharmacological treatment (n = 5, age 66 [standard deviation ± 6] years, FEV1 30.5 [±5.1] %pred, PaO2 65 [±6] mmHg, PaCO2 52.4 [±6.0] mmHg) or to a routine treatment and NIV (using the Synchrony BiPAP device [Respironics, Inc, Murrsville, PA]) (n = 10, age 65 [±7] years, FEV1 29.5 [±9.0] %pred, PaO2 59 [±13] mmHg, PaCO2 55.4 [±7.7] mmHg) for 6 months. We looked at arterial blood gasses, lung function parameters and performed a low-dose computed tomography of the thorax, which was later used for segmentation (providing lobe and airway volumes, iVlobe and iVaw) and post-processing with computer methods (providing airway resistance, iRaw) giving overall a functional image of the separate airways and lobes.Results: In both groups there was a nonsignificant change in FEV1 (NIV group 29.5 [9.0] to 38.5 [14.6] %pred, control group 30.5 [5.1] to 36.8 [8.7] mmHg). PaCO2 dropped significantly only in the NIV group (NIV: 55.4 [7.7] → 44.5 [4.70], P = 0.0076; control: 52.4 [6.0] → 47.6 [8.2], NS). Patients actively treated with NIV developed a more inhomogeneous redistribution of mass flow than control patients. Subsequent analysis indicated that in NIV-treated patients that improve their blood gases, mass flow was also redistributed towards areas with higher vessel density and less emphysema, indicating that flow was redistributed towards areas with better perfusion. There was a highly significant correlation between the % increase in mass flow towards lobes with a blood vessel density of >9% and the increase in PaO2. Improved ventilation–perfusion match and recruitment of previously occluded small airways can explain the improvement in blood gases.Conclusion: We can conclude that in hypercapnic COPD patients treated with long-term NIV over 6 months, a mass flow redistribution occurs, providing a better ventilation–perfusion match and hence better blood gases and lung function. Control patients improve homogeneously in iVaw and iRaw, without improvement in gas exchange since there is no improved ventilation/perfusion ratio or increased alveolar ventilation. These differences in response can be detected through functional imaging, which gives a more detailed report on regional lung volumes and resistances than classical lung function tests do. Possibly only patients with localized small airway disease are good candidates for long-term NIV treatment. To confirm this and to see if better arterial blood gases also lead to better health related quality of life and longer survival, we have to study a larger population. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000208709800066 |
Publication Date |
2011-11-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1178-2005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.157 |
Times cited |
28 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.157; 2011 IF: NA |
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Call Number |
UA @ lucian @ c:irua:93164 |
Serial |
866 |
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Permanent link to this record |
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Author |
Sofo, J.O.; Suarez, A.M.; Usaj, G.; Cornaglia, P.S.; Hernández-Nieves, A.D.; Balseiro, C.A. |
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Title |
Electrical control of the chemical bonding of fluorine on graphene |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
8 |
Pages |
081411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000287484800005 |
Publication Date |
2011-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
65 |
Open Access |
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Notes |
; J.O.S. and A. S. acknowledge support from the Donors of the American Chemical Society Petroleum Research Fund and use of facilities at the Penn State Materials Simulation Center. G. U., P. S. C., A. D. H., and C. A. B. acknowledge financial support from PICTs 06-483 and 2008-2236 from ANPCyT and PIP 11220080101821 from CONICET, Argentina. A. D. H. acknowledges support from the Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:105600 |
Serial |
892 |
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Permanent link to this record |
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Author |
Grujić, M.; Zarenia, M.; Chaves, A.; Tadić, M.; Farias, G.A.; Peeters, F.M. |
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Title |
Electronic and optical properties of a circular graphene quantum dot in a magnetic field : influence of the boundary conditions |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
20 |
Pages |
205441-205441,12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
An analytical approach, using the Dirac-Weyl equation, is implemented to obtain the energy spectrum and optical absorption of a circular graphene quantum dot in the presence of an external magnetic field. Results are obtained for the infinite-massand zigzag boundary conditions. We found that the energy spectrum of a dot with the zigzag boundary condition exhibits a zero-energy band regardless of the value of the magnetic field, while for the infinite-mass boundary condition, the zero-energy states appear only for high magnetic fields. The analytical results are compared to those obtained from the tight-binding model: (i) we show the validity range of the continuum model and (ii) we find that the continuum model with the infinite-mass boundary condition describes rather well its tight-binding analog, which can be partially attributed to the blurring of the mixed edges by the staggered potential. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000297295400011 |
Publication Date |
2011-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
78 |
Open Access |
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Notes |
; This work was supported by the EuroGraphene programme of the ESF (project CONGRAN), the Ministry of Education and Science of Serbia, the Belgian Science Policy (IAP), the bilateral projects between Flanders and Brazil, the Flemish Science Foundation (FWO-Vl), and the Brazilian Research Council (CNPq). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:94025 |
Serial |
997 |
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Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. |
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Title |
Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
13 |
Issue |
6 |
Pages |
063002-063002,11 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000292137500002 |
Publication Date |
2011-06-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
98 |
Open Access |
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Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
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Call Number |
UA @ lucian @ c:irua:89555 |
Serial |
1008 |
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Permanent link to this record |
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Author |
Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
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Title |
Energy levels of triangular and hexagonal graphene quantum dots : a comparative study between the tight-binding and Dirac equation approach |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
24 |
Pages |
245403-245403,12 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The Dirac equation is solved for triangular and hexagonal graphene quantum dots for different boundary conditions in the presence of a perpendicular magnetic field. We analyze the influence of the dot size and its geometry on their energy spectrum. A comparison between the results obtained for graphene dots with zigzag and armchair edges, as well as for infinite-mass boundary condition, is presented and our results show that the type of graphene dot edge and the choice of the appropriate boundary conditions have a very important influence on the energy spectrum. The single-particle energy levels are calculated as a function of an external perpendicular magnetic field that lifts degeneracies. Comparing the energy spectra obtained from the tight-binding approximation to those obtained from the continuum Dirac equation approach, we verify that the behavior of the energies as a function of the dot size or the applied magnetic field are qualitatively similar, but in some cases quantitative differences can exist. |
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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 |
000297767800008 |
Publication Date |
2011-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
145 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE (project CONGRAN), the Bilateral program between Flanders and Brazil, CAPES and the Brazilian Council for Research (CNPq). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:93961 |
Serial |
1040 |
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Permanent link to this record |
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Author |
Saniz, R.; Barbiellini, B.; Denison, A.B.; Bansil, A. |
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Title |
Erratum: Spontaneous magnetization and electron momentum density in three-dimensional quantum dots [Phys. Rev. B 68, 165326 (2003)] |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
11 |
Pages |
119907 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000295263600015 |
Publication Date |
2011-09-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.836 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92919 |
Serial |
1081 |
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Permanent link to this record |
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Author |
Tadić, M.; Čukarić, N.; Arsoski, V.; Peeters, F.M. |
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Title |
Excitonic Aharonov-Bohm effect : unstrained versus strained type-I semiconductor nanorings |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
12 |
Pages |
125307-125307,13 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study how mechanical strain affects the magnetic field dependence of the exciton states in type-I semiconductor nanorings. Strain spatially separates the electron and hole in (In,Ga)As/GaAs nanorings which is beneficial for the occurrence of the excitonic Aharonov-Bohm (AB) effect. In narrow strained (In,Ga)As/GaAs nanorings the AB oscillations in the exciton ground-state energy are due to anticrossings with the first excited state. No such AB oscillations are found in unstrained GaAs/(Al,Ga)As nanorings irrespective of the ring width. Our results are obtained within an exact numerical diagonalization scheme and are shown to be accurately described by a two-level model with off-diagonal coupling t. The later transfer integral expresses the Coulomb coupling between states of electron-hole pairs. We also found that the oscillator strength for exciton recombination in (In,Ga)As/GaAs nanorings exhibits AB oscillations, which are superimposed on a linear increase with magnetic field. Our results agree qualitatively with recent experiments on the excitonic Aharonov-Bohm effect in type-I (In,Ga)As/GaAs nanorings. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000294777400013 |
Publication Date |
2011-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl), the EU NoE: SANDiE, and the Belgian Science Policy (IAP). The calculations were performed on the CalcUA and Seastar computer clusters of the University of Antwerp. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92326 |
Serial |
1122 |
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Permanent link to this record |
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Author |
Hamelet, S.; Casas-Cabanas, M.; Dupont, L.; Davoisne, C.; Tarascon, J.M.; Masquelier, C. |
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Title |
Existence of superstructures due to large amounts of Fe vacancies in the LiFePO4-type framework |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
23 |
Issue |
1 |
Pages |
32-38 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
LiFePO4 has been under intense scrutiny over the past decade because it stands as an attractive positive electrode material for the next generation of Li-ion batteries to power electric vehicles and hybrid electric vehicles, hence the importance of its thermal behavior. The reactivity of LiFePO4 with air at moderate temperatures is shown to be dependent on its particle size. For nanosized materials, a progressive displacement of Fe from the core structure leading to a composite made of nanosize Fe2O3 and highly defective, oxidized LixFeyPO4 compositions, among which the “ideal” formula LiFe2/3PO4. Herein we report, from both temperature-controlled X-ray diffraction and electronic diffraction microscopy, that these off-stoichiometry olivine-type compounds show a defect ordering resulting in the formation of a superstructure. Such a finding shows striking similarities with the temperature-driven oxidation of fayalite Fe2SiO4 (another olivine) to structurally defective laihunite, reported in the literature three decades ago. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000285726900007 |
Publication Date |
2010-12-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
30 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
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Call Number |
UA @ lucian @ c:irua:105605 |
Serial |
1130 |
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Permanent link to this record |
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Author |
Goris, B.; Bals, S.; van den Broek, W.; Verbeeck, J.; Van Tendeloo, G. |
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Title |
Exploring different inelastic projection mechanisms for electron tomography |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
111 |
Issue |
8 |
Pages |
1262-1267 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Several different projection mechanisms that all make use of inelastically scattered electrons are used for electron tomography. The advantages and the disadvantages of these methods are compared to HAADFSTEM tomography, which is considered as the standard electron tomography technique in materials science. The different inelastic setups used are energy filtered transmission electron microscopy (EFTEM), thickness mapping based on the log-ratio method and bulk plasmon mapping. We present a comparison that can be used to select the best inelastic signal for tomography, depending on different parameters such as the beam stability and nature of the sample. The appropriate signal will obviously also depend on the exact information which is requested. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000300461100039 |
Publication Date |
2011-03-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.843 |
Times cited |
21 |
Open Access |
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|
Notes |
Fwo; Iap; Esteem 026019 |
Approved |
Most recent IF: 2.843; 2011 IF: 2.471 |
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Call Number |
UA @ lucian @ c:irua:91260UA @ admin @ c:irua:91260 |
Serial |
1151 |
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Permanent link to this record |
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Author |
Shanenko, A.A.; Milošević, M.V.; Peeters, F.M. |
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Title |
Extended Ginzburg-Landau formalism for two-band superconductors |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
106 |
Issue |
4 |
Pages |
047005-047005,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recent observation of unusual vortex patterns in MgB2 single crystals raised speculations about possible type-1.5 superconductivity in two-band materials, mixing the properties of both type-I and type-II superconductors. However, the strict application of the standard two-band Ginzburg-Landau (GL) theory results in simply proportional order parameters of the two bandsand does not support the type-1.5 behavior. Here we derive the extended GL formalism (accounting all terms of the next order over the small τ=1-T/Tc parameter) for a two-band clean s-wave superconductor and show that the two condensates generally have different spatial scales, with the difference disappearing only in the limit T→Tc. The extended version of the two-band GL formalism improves the validity of GL theory below Tc and suggests revisiting the earlier calculations based on the standard model. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000286734100010 |
Publication Date |
2011-01-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
84 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. Discussions with M. D. Croitoru are gratefully acknowledged. ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
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Call Number |
UA @ lucian @ c:irua:88038 |
Serial |
1154 |
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Permanent link to this record |
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Author |
Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V. |
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Title |
Extension of the clathrate family : the type X clathrate Ge79P29S18Te6 |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
50 |
Issue |
10 |
Pages |
2371-2374 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000288036300033 |
Publication Date |
2011-01-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
11.994 |
Times cited |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: 11.994; 2011 IF: 13.455 |
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Call Number |
UA @ lucian @ c:irua:88793 |
Serial |
1158 |
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Permanent link to this record |
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Author |
Gasparotto, A.; Barreca, D.; Bekermann, D.; Devi, A.; Fischer, R.A.; Fornasiero, P.; Gombac, V.; Lebedev, O.I.; Maccato, C.; Montini, T.; Van Tendeloo, G.; Tondello, E. |
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Title |
F-doped Co3O4 photocatalysts for sustainable H2 generation from water/ethanol |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
133 |
Issue |
48 |
Pages |
19362-19365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
p-Type Co3O4 nanostructured films are synthesized by a plasma-assisted process and tested in the photocatalytic production of H2 from water/ethanol solutions under both near-UV and solar irradiation. It is demonstrated that the introduction of fluorine into p-type Co3O4 results in a remarkable performance improvement with respect to the corresponding undoped oxide, highlighting F-doped Co3O4 films as highly promising systems for hydrogen generation. Notably, the obtained yields were among the best ever reported for similar semiconductor-based photocatalytic processes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000297606500027 |
Publication Date |
2011-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
13.858 |
Times cited |
114 |
Open Access |
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Notes |
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Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
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Call Number |
UA @ lucian @ c:irua:93628 |
Serial |
1164 |
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Permanent link to this record |
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Author |
Nowak, M.P.; Szafran, B.; Peeters, F.M. |
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Title |
Fano resonances and electron spin transport through a two-dimensional spin-orbit-coupled quantum ring |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
23 |
Pages |
235319-235319,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electron transport through a spin-orbit-coupled quantum ring is investigated within linear response theory. We show that the finite width of the ring results in the appearance of Fano resonances in the conductance. This turns out to be a consequence of the spin-orbit interaction that leads to a breaking of the parity of the states localized in the ring. The resonances appear when the system is close to maxima of Aharonov-Casher conductance oscillations where spin transfer is heavily modified. When the spin-orbit coupling strength is detuned from the Aharonov-Casher maxima the resonances are broadened resulting in a dependence of the spin transport on the electron Fermi energy in contrast to predictions from one-dimensional models. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000298605700002 |
Publication Date |
2011-12-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
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Notes |
; This work was supported by the “Krakow Interdisciplinary PhD Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme cofinanced by the EU European Regional Development Fund, Project No. N N202103938 supported by the Ministry of Science and Higher Education (MNiSW) for 2010-2013, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:94292 |
Serial |
1171 |
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Permanent link to this record |
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Author |
Cao, S.; Nishida, M.; Schryvers, D. |
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Title |
FIB/SEM applied to quantitative 3D analysis of precipitates in Ni-Ti |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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Volume |
172/174 |
Issue |
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Pages |
1284-1289 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Ni4Ti3 precipitates with a heterogeneous distribution growing in a polycrystalline Ni50.8Ti49.2 alloy have been investigated in a Dual-Beam FIB/SEM system. The volume ratio, mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured or calculated. The morphology of the precipitates was classified according to the Zingg scheme. The multistage martensitic transformation occurring in these kinds of samples is interpreted in view of the data of this heterogeneous microstructure of matrix and precipitates. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vaduz |
Editor |
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Language |
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Wos |
000303359700199 |
Publication Date |
2011-07-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1662-9779; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:90152 |
Serial |
1188 |
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Permanent link to this record |
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Author |
Bertoni, G.; Verbeeck, J.; Brosens, F. |
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Title |
Fitting the momentum dependent loss function in EELS |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Microscopy research and technique |
Abbreviated Journal |
Microsc Res Techniq |
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Volume |
74 |
Issue |
3 |
Pages |
212-218 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Theory of quantum systems and complex systems |
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Abstract |
Momentum dependent inelastic plasmon scattering can be measured by electron energy loss in a transmission electron microscope. From energy filtered diffraction, the characteristic angle of scattering and the cutoff angle are measured, using a thin film of aluminum as a model test. Rather than deconvolving the data (as done in previous works), a fitting technique is used to extract the loss function from angular resolved spectra, starting from a simple model simulation. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000288095200002 |
Publication Date |
2010-07-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1059-910X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.147 |
Times cited |
6 |
Open Access |
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Notes |
Fwo; Esteem; Iap; Goa |
Approved |
Most recent IF: 1.147; 2011 IF: 1.792 |
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Call Number |
UA @ lucian @ c:irua:88782UA @ admin @ c:irua:88782 |
Serial |
1222 |
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Permanent link to this record |
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Author |
Berger, J.; Milošević, M.V. |
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Title |
Fluctuations in superconducting rings with two order parameters |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
21 |
Pages |
214515-214515,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Motivated by two-band superconductivity in, e.g., borides and pnictides, starting from the two-band Ginzburg-Landau energy functional, we discuss how the presence of two order parameters and the coupling between them influence a superconducting ring in the fluctuative regime. Our method is an extension of the von OppenRiedel formalism for rings; it is exact, but requires numerical implementation. We also study approximations for which analytic expressions can be obtained, and check their ranges of validity. We provide estimates for the temperature ranges where fluctuations are important, calculate the persistent current in MgB2 rings as a function of temperature and enclosed flux, and point out its additional dependence on the cross-section area of the wire from which the ring is made. We find temperature regions in which fluctuations enhance the persistent currents and regions where they inhibit the persistent current. The presence of two order parameters that can fluctuate independently always leads to larger averages of the order parameters at Tc, but yields larger persistent current only for appropriate parameters. In cases of very different material parameters for the two coupled condensates, the persistent current is inhibited. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000297932500004 |
Publication Date |
2011-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
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Notes |
; This research was supported by the Israel Science Foundation, Grant No. 249/10, the Flemish Science Foundation (FWO-Vl), and the ESF network INSTANS. We are grateful to Andrei Varlamov and Felix von Oppen for their answers to our enquiries. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:93957 |
Serial |
1226 |
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Permanent link to this record |
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Author |
De Bie, C.; Verheyde, B.; Martens, T.; van Dijk, J.; Paulussen, S.; Bogaerts, A. |
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Title |
Fluid modeling of the conversion of methane into higher hydrocarbons in an atmospheric pressure dielectric barrier discharge |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
8 |
Issue |
11 |
Pages |
1033-1058 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A one-dimensional fluid model for a dielectric barrier discharge in methane, used as a chemical reactor for gas conversion, is developed. The model describes the gas phase chemistry governing the conversion process of methane to higher hydrocarbons. The spatially averaged densities of the various plasma species as a function of time are discussed. Besides, the conversion of methane and the yields of the reaction products as a function of the residence time in the reactor are shown and compared with experimental data. Higher hydrocarbons (C2Hy and C3Hy) and hydrogen gas are typically found to be important reaction products. Furthermore, the main underlying reaction pathways are determined. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000297745500005 |
Publication Date |
2011-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
70 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.846; 2011 IF: 2.468 |
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Call Number |
UA @ lucian @ c:irua:92443 |
Serial |
1227 |
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Permanent link to this record |
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Author |
Si, X.-J.; Zhao, S.-X.; Xu, X.; Bogaerts, A.; Wang, Y.-N. |
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Title |
Fluid simulations of frequency effects on nonlinear harmonics in inductively coupled plasma |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
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Volume |
18 |
Issue |
3 |
Pages |
033504-033504,9 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A fluid model is self-consistently established to investigate the harmonic effects in an inductively coupled plasma, where the electromagnetic field is solved by the finite difference time domain technique. The spatiotemporal distribution of harmonic current density, harmonic potential, and other plasma quantities, such as radio frequency power deposition, plasma density, and electron temperature, have been investigated. Distinct differences in current density have been observed when calculated with and without Lorentz force, which indicates that the nonlinear Lorentz force plays an important role in the harmonic effects, especially at low frequencies. Moreover, the even harmonics are larger than the odd harmonics both in the current density and the potential. Finally, the dependence of various plasma quantities with and without the Lorentz force on various driving frequencies is also examined. It is shown that the deposited power density decreases and the depth of penetration increases slightly because of the Lorentz force. The electron density increases distinctly while the electron temperature remains almost the same when the Lorentz force is taken into account. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Woodbury, N.Y. |
Editor |
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Language |
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Wos |
000289151900073 |
Publication Date |
2011-03-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
|
ISSN |
1070-664X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.115 |
Times cited |
7 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.115; 2011 IF: 2.147 |
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Call Number |
UA @ lucian @ c:irua:87876 |
Serial |
1233 |
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Permanent link to this record |