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Author |
Cambré, S.; Campo, J.; Beirnaert, C.; Verlackt, C.; Cool, P.; Wenseleers, W. |
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Title |
Asymmetric dyes align inside carbon nanotubes to yield a large nonlinear optical response |
Type |
A1 Journal article |
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Year  |
2015 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
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Volume |
10 |
Issue |
10 |
Pages |
248-252 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Nanostructured and organic optical and electronic materials (NANOrOPT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Asymmetric dye molecules have unusual optical and electronic properties1, 2, 3. For instance, they show a strong second-order nonlinear optical (NLO) response that has attracted great interest for potential applications in electro-optic modulators for optical telecommunications and in wavelength conversion of lasers2, 3. However, the strong Coulombic interaction between the large dipole moments of these molecules favours a pairwise antiparallel alignment that cancels out the NLO response when incorporated into bulk materials. Here, we show that by including an elongated dipolar dye (p,p′-dimethylaminonitrostilbene, DANS, a prototypical asymmetric dye with a strong NLO response4) inside single-walled carbon nanotubes (SWCNTs)5, 6, an ideal head-to-tail alignment in which all electric dipoles point in the same sense is naturally created. We have applied this concept to synthesize solution-processible DANS-filled SWCNTs that show an extremely large total dipole moment and static hyperpolarizability (β0 = 9,800 × 10−30 e.s.u.), resulting from the coherent alignment of arrays of ∼70 DANS molecules. |
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Wos |
000350799700016 |
Publication Date |
2015-02-02 |
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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 |
1748-3387;1748-3395; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
38.986 |
Times cited |
46 |
Open Access |
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Notes |
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Approved |
Most recent IF: 38.986; 2015 IF: 34.048 |
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Call Number |
c:irua:125405 |
Serial |
158 |
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Author |
Abakumov, M.A.; Nukolova, N.V.; Sokolsky-Papkov, M.; Shein, S.A.; Sandalova, T.O.; Vishwasrao, H.M.; Grinenko, N.F.; Gubsky, I.L.; Abakumov, A.M.; Kabanov, A.V.; Chekhonin, V.P.; |
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Title |
VEGF-targeted magnetic nanoparticles for MRI visualization of brain tumor |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nanomedicine: nanotechnology, biology and medicine |
Abbreviated Journal |
Nanomed-Nanotechnol |
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Volume |
11 |
Issue |
11 |
Pages |
825-833 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
This work is focused on synthesis and characterization of targeted magnetic nanoparticles as magnetic resonance imaging (MRI) agents for in vivo visualization of gliomas. Ferric oxide (Fe3O4) cores were synthesized by thermal decomposition and coated with bovine serum albumin (BSA) to form nanoparticles with D-eff of 53 +/- 9 nm. The BSA was further cross-linked to improve colloidal stability. Monoclonal antibodies against vascular endothelial growth factor (mAbVEGF) were covalently conjugated to BSA through a polyethyleneglycol linker. Here we demonstrate that 1) BSA coated nanoparticles are stable and non-toxic to different cells at concentration up to 2.5 mg/mL; 2) conjugation of monoclonal antibodies to nanoparticles promotes their binding to VEGF-positive glioma C6 cells in vitro; 3) targeted nanoparticles are effective in MRI visualization of the intracranial glioma. Thus, mAbVEGF-targeted BSA-coated magnetic nanoparticles are promising MRI contrast agents for glioma visualization. (C) 2015 Elsevier Inc. All rights reserved. |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
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Wos |
000354559600004 |
Publication Date |
2015-01-31 |
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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 |
1549-9634; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.72 |
Times cited |
62 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.72; 2015 IF: 6.155 |
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Call Number |
c:irua:126351 |
Serial |
3838 |
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Author |
Petrovic, M.D.; Peeters, F.M. |
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Title |
Fano resonances in the conductance of graphene nanoribbons with side gates |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
035444 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges. |
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Place of Publication |
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Language |
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Wos |
000351217900005 |
Publication Date |
2015-01-30 |
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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 |
17 |
Open Access |
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Notes |
; This work was supported by the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:125422 |
Serial |
1172 |
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Author |
Zhang, Y.-R.; Tinck, S.; De Schepper, P.; Wang, Y.-N.; Bogaerts, A. |
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Title |
Modeling and experimental investigation of the plasma uniformity in CF4/O2 capacitively coupled plasmas, operating in single frequency and dual frequency regime |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
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Volume |
33 |
Issue |
33 |
Pages |
021310 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A two-dimensional hybrid Monte Carlofluid model, incorporating a full-wave solution of Maxwell's equations, is employed to describe the behavior of high frequency (HF) and very high frequency capacitively coupled plasmas (CCPs), operating both at single frequency (SF) and dual frequency (DF) in a CF4/O2 gas mixture. First, the authors investigate the plasma composition, and the simulations reveal that besides CF4 and O2, also COF2, CF3, and CO2 are important neutral species, and CF+3 and F− are the most important positive and negative ions. Second, by comparing the results of the model with and without taking into account the electromagnetic effects for a SF CCP, it is clear that the electromagnetic effects are important, both at 27 and 60 MHz, because they affect the absolute values of the calculation results and also (to some extent) the spatial profiles, which accordingly affects the uniformity in plasma processing. In order to improve the plasma radial uniformity, which is important for the etch process, a low frequency (LF) source is added to the discharge. Therefore, in the major part of the paper, the plasma uniformity is investigated for both SF and DF CCPs, operating at a HF of 27 and 60 MHz and a LF of 2 MHz. For this purpose, the authors measure the etch rates as a function of position on the wafer in a wide range of LF powers, and the authors compare them with the calculated fluxes toward the wafer of the plasma species playing a role in the etch process, to explain the trends in the measured etch rate profiles. It is found that at a HF of 60 MHz, the uniformity of the etch rate is effectively improved by adding a LF power of 2 MHz and 300 W, while its absolute value increases by about 50%, thus a high etch rate with a uniform distribution is observed under this condition. |
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Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000355739500026 |
Publication Date |
2015-01-29 |
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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 |
0734-2101;1520-8559; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.374 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.374; 2015 IF: 2.322 |
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Call Number |
c:irua:122650 |
Serial |
2107 |
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Author |
Ozkan, A.; Dufour, T.; Arnoult, G.; De Keyzer, P.; Bogaerts, A.; Reniers, F. |
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Title |
CO2-CH4 conversion and syngas formation at atmospheric pressure using a multi-electrode dielectric barrier discharge |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
9 |
Issue |
9 |
Pages |
74-81 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The conversion of CO2 and CH4 into value-added chemicals is studied in a new geometry of a dielectric barrier discharge (DBD) with multi-electrodes, dedicated to the treatment of high gas flow rates. Gas chromatography is used to define the CO2 and CH4 conversion as well as the yields of the products of decomposition (CO, O2 and H2) and of recombination (C2H4, C2H6 and CH2O). The influence of three parameters is investigated on the conversion: the CO2 and CH4 flow rates, the plasma power and the nature of the carrier gas (argon or helium). The energy efficiency of the CO2 conversion is estimated and compared with those of similar atmospheric plasma sources. Our DBD reactor shows a good compromise between a good energy efficiency and the treatment of a large CO2 flow rate. |
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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 |
000350088700010 |
Publication Date |
2015-01-28 |
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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 |
2212-9820; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
57 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.292; 2015 IF: 3.091 |
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Call Number |
c:irua:123029 |
Serial |
3522 |
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Author |
Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G. |
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Title |
Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
24 |
Issue |
24 |
Pages |
025004 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately. |
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Corporate Author |
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Thesis |
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Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000356816200008 |
Publication Date |
2015-01-27 |
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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 |
0963-0252;1361-6595; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
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Call Number |
c:irua:123534 |
Serial |
704 |
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Author |
Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; |
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Title |
{110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
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Volume |
44 |
Issue |
44 |
Pages |
10753-10762 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000355701000026 |
Publication Date |
2015-01-26 |
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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 |
1477-9226;1477-9234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.029 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.029; 2015 IF: 4.197 |
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Call Number |
c:irua:127001 |
Serial |
22 |
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Author |
Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G. |
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Title |
Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
86 |
Issue |
86 |
Pages |
156-162 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 Elsevier Ltd. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000352922700019 |
Publication Date |
2015-01-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
20 |
Open Access |
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Notes |
FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; |
Approved |
Most recent IF: 6.337; 2015 IF: 6.196 |
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Call Number |
c:irua:125994UA @ admin @ c:irua:125994 |
Serial |
250 |
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Author |
Zhang, L.-F.; Covaci, L.; Peeters, F.M. |
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Title |
Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
109 |
Issue |
109 |
Pages |
17010 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000348592100029 |
Publication Date |
2015-01-21 |
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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 |
0295-5075 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 1.957; 2015 IF: 2.095 |
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Call Number |
UA @ lucian @ c:irua:128424 |
Serial |
4227 |
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Author |
Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
The role of the VZn-NO-H complex in the p-type conductivity in ZnO |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
17 |
Issue |
17 |
Pages |
5485-5489 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process. |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000349616400080 |
Publication Date |
2015-01-20 |
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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 |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.123 |
Times cited |
20 |
Open Access |
|
|
| |
Notes |
FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules |
Approved |
Most recent IF: 4.123; 2015 IF: 4.493 |
|
| |
Call Number |
c:irua:123218 |
Serial |
3592 |
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| Permanent link to this record |
| |
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| |
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Author |
Zhang, L.-F.; Covaci, L.; Peeters, F.M. |
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| |
Title |
Tomasch effect in nanoscale superconductors |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
91 |
Issue |
91 |
Pages |
024508 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The Tomasch effect (TE) is due to quasiparticle interference (QPI) as induced by a nonuniform superconducting order parameter, which results in oscillations in the density of states (DOS) at energies above the superconducting gap. Quantum confinement in nanoscale superconductors leads to an inhomogenerous distribution of the Cooperpair condensate, which, as we found, triggers the manifestation of a new TE. We investigate the electronic structure of nanoscale superconductors by solving the Bogoliubov-de Gennes (BdG) equations self-consistently and describe the TE determined by two types of processes, involving two-or three-subband QPIs. Both types of QPIs result in additional BCS-like Bogoliubov-quasiparticles and BCS-like energy gaps leading to oscillations in the DOS and modulated wave patterns in the local density of states. These effects are strongly related to the symmetries of the system. A reduced 4 x 4 inter-subband BdG Hamiltonian is established in order to describe analytically the TE of two-subband QPIs. Our study is relevant to nanoscale superconductors, either nanowires or thin films, Bose-Einsten condensates, and confined systems such as two-dimensional electron gas interface superconductivity. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
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| |
Language |
|
Wos |
000348473700003 |
Publication Date |
2015-01-16 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
|
| |
Call Number |
c:irua:123864 |
Serial |
3670 |
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| Permanent link to this record |
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| |
|
Author |
Aerts, R.; Somers, W.; Bogaerts, A. |
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| |
Title |
Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
702-716 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general. |
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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 |
000349954400019 |
Publication Date |
2015-01-16 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
1864-5631; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.226 |
Times cited |
131 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 7.226; 2015 IF: 7.657 |
|
| |
Call Number |
c:irua:123930 |
Serial |
279 |
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| Permanent link to this record |
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| |
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Author |
Lin, F.; Meng, X.; Kukueva, E.; Kus, M.; Mertens, M.; Bals, S.; Van Doorslaer, S.; Cool, P. |
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| |
Title |
Novel method to synthesize highly ordered ethane-bridged PMOs under mild acidic conditions : taking advantages of phosphoric acid |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
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| |
Volume |
207 |
Issue |
207 |
Pages |
61-70 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
Highly ordered SBA-15-type ethane-bridged PMOs have been obtained by employing H3PO4 as acid to tune the pH in the presence of copolymer surfactant P123. The effects of the acidity and the addition of inorganic salt on the formation of the mesostructure are investigated. It is found that, compared with HCl, the polyprotic weak acid H3PO4 is preferable for the synthesis of highly ordered SBA-15-type ethane-bridged PMOs with larger pore size and surface areas under mild acidic conditions. Moreover, taking the advantages of the mild acidic condition, vanadium-containing SBA-15-type ethane-bridged PMOs were successfully prepared through a direct synthesis approach. The XRD, N2-sorption, UVVis and CW-EPR studies of the V-PMO show that part of the vanadium species are present in polymeric (VOV)n clusters, while part of the vanadium centers are well-dispersed and immobilized on the inner surface of the mesopores. |
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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 |
000350518600009 |
Publication Date |
2015-01-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.615 |
Times cited |
5 |
Open Access |
OpenAccess |
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| |
Notes |
; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F.Lin. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structure-activity relation in nanoporous materials', funded by the University of Antwerp. ; |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
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| |
Call Number |
c:irua:123910 |
Serial |
2379 |
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| Permanent link to this record |
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Author |
Meledina, M.; Turner, S.; Galvita, V.V.; Poelman, H.; Marin, G.B.; Van Tendeloo, G. |
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| |
Title |
Local environment of Fe dopants in nanoscale Fe : CeO2-x oxygen storage material |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
7 |
Issue |
7 |
Pages |
3196-3204 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Nanoscale Fe : CeO2-x oxygen storage material for the process of chemical looping has been investigated by advanced transmission electron microscopy and electron energy-loss spectroscopy before and after a model looping procedure, consisting of redox cycles at heightened temperature. Separately, the activity of the nanomaterial has been tested in a toluene total oxidation reaction. The results show that the material consists of ceria nanoparticles, doped with single Fe atoms and small FeOx clusters. The iron ion is partially present as Fe3+ in a solid solution within the ceria lattice. Furthermore, enrichment of reduced Fe2+ species is observed in nanovoids present in the ceria nanoparticles, as well as at the ceria surface. After chemical looping, agglomeration occurs and reduced nanoclusters appear at ceria grain boundaries formed by sintering. These clusters originate from surface Fe2+ aggregation, and from bulk Fe3+, which “leaks out” in reduced state after cycling to a slightly more agglomerated form. The activity of Fe : CeO2 during the toluene total oxidation part of the chemical looping cycle is ensured by the dopant Fe in the Fe1-xCexO2 solid solution, and by surface Fe species. These measurements on a model Fe : CeO2-x oxygen storage material give a unique insight into the behavior of dopants within a nanosized ceria host, and allow to interpret a plethora of (doped) cerium oxide-based reactions. |
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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 |
Cambridge |
Editor |
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| |
Language |
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Wos |
000349473200046 |
Publication Date |
2015-01-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.367 |
Times cited |
17 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 7.367; 2015 IF: 7.394 |
|
| |
Call Number |
c:irua:125299 |
Serial |
1828 |
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| Permanent link to this record |
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Author |
Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M. |
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Title |
Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
91 |
Issue |
91 |
Pages |
045413 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000348762200011 |
Publication Date |
2015-01-12 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
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| |
Notes |
; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:123866 |
Serial |
1377 |
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| Permanent link to this record |
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Author |
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
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Title |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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| |
Volume |
142 |
Issue |
142 |
Pages |
024902 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. |
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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 |
000348129700053 |
Publication Date |
2015-01-10 |
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Series Editor |
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Series Title |
|
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 |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
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| |
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; |
Approved |
Most recent IF: 2.965; 2015 IF: 2.952 |
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Call Number |
c:irua:123832 |
Serial |
3267 |
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| Permanent link to this record |
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Author |
Hai, G.-Q.; Peeters, F.M. |
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Title |
Hamiltonian of a many-electron system with single-electron and electron-pair states in a two-dimensional periodic potential |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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| |
Volume |
88 |
Issue |
88 |
Pages |
20 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Based on the metastable electron-pair energy band in a two-dimensional (2D) periodic potential obtained previously by Hai and Castelano [J. Phys.: Condens. Matter 26, 115502 (2014)], we present in this work a Hamiltonian of many electrons consisting of single electrons and electron pairs in the 2D system. The electron-pair states are metastable of energies higher than those of the single-electron states at low electron density. We assume two different scenarios for the single-electron band. When it is considered as the lowest conduction band of a crystal, we compare the obtained Hamiltonian with the phenomenological model Hamiltonian of a boson-fermion mixture proposed by Friedberg and Lee [Phys. Rev. B 40, 6745 (1989)]. Single-electron-electron-pair and electron-pair-electron-pair interaction terms appear in our Hamiltonian and the interaction potentials can be determined from the electron-electron Coulomb interactions. When we consider the single-electron band as the highest valence band of a crystal, we show that holes in this valence band are important for stabilization of the electron-pair states in the system. |
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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 |
Berlin |
Editor |
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Language |
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Wos |
000347776800005 |
Publication Date |
2015-01-10 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
1434-6028;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.461 |
Times cited |
2 |
Open Access |
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| |
Notes |
; This work was supported by FAPESP and CNPq (Brazil). ; |
Approved |
Most recent IF: 1.461; 2015 IF: 1.345 |
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| |
Call Number |
c:irua:125317 |
Serial |
1406 |
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| Permanent link to this record |
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Author |
Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. |
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Title |
Diffusion of fluorine on and between graphene layers |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
91 |
Issue |
91 |
Pages |
014304 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000349125800002 |
Publication Date |
2015-01-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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| |
Call Number |
UA @ lucian @ c:irua:132561 |
Serial |
4161 |
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| Permanent link to this record |
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Author |
Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. |
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Title |
Chabazite : stable cation-exchanger in hyper alkaline concrete pore water |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Environmental science and technology |
Abbreviated Journal |
Environ Sci Technol |
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| |
Volume |
49 |
Issue |
49 |
Pages |
2358-2365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal. |
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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 |
Easton, Pa |
Editor |
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| |
Language |
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Wos |
000349806400047 |
Publication Date |
2015-01-08 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
0013-936X;1520-5851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.198 |
Times cited |
13 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 6.198; 2015 IF: 5.330 |
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| |
Call Number |
c:irua:127695 |
Serial |
307 |
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| Permanent link to this record |
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Author |
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
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| |
Title |
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
117 |
Issue |
117 |
Pages |
015104 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000347958600055 |
Publication Date |
2015-01-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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| |
Call Number |
c:irua:122064 |
Serial |
1215 |
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| Permanent link to this record |
| |
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| |
|
Author |
Shestakov, M.V.; Meledina, M.; Turner, S.; Baekelant, W.; Verellen, N.; Chen, X.; Hofkens, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
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| |
Title |
Luminescence of fixed site Ag nanoclusters in a simple oxyfluoride glass host and plasmon absorption of amorphous Ag nanoparticles in a complex oxyfluoride glass host |
Type |
P1 Proceeding |
| |
Year |
2015 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 – 8th International Conference on Photonics, Devices, and System VI, AUG 27-29, 2014, Prague, CZECH REPUBLIC |
Abbreviated Journal |
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|
| |
Volume |
|
Issue |
|
Pages |
Unsp 94501n |
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| |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Ag nanocluster-doped glasses have been prepared by a conventional melt-quenching method. The effect of melt temperature and dwell time on the formation of Ag nanoclusters and Ag nanoparticles in simple host oxyfluoride glasses has been studied. The increase of melt temperature and dwell time results in the dissolution of Ag nanoparticles and substantial red-shift of absorption and photoluminescence spectra of the prepared glasses. The quantum yield of the glasses is similar to 5% and does not depend on melt temperature and dwell time. The prepared glasses may be used as red phosphors or down-conversion layers for solar-cells. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Spie-int soc optical engineering |
Place of Publication |
Bellingham |
Editor |
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| |
Language |
|
Wos |
000349404500057 |
Publication Date |
2015-01-06 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
9450 |
Series Issue |
|
Edition |
|
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| |
ISSN |
978-1-62841-566-7 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:144783 |
Serial |
4668 |
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| Permanent link to this record |
| |
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| |
|
Author |
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
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| |
Title |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
106 |
Issue |
106 |
Pages |
011602 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000347976900008 |
Publication Date |
2015-01-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2015 IF: 3.302 |
|
| |
Call Number |
c:irua:122300 |
Serial |
1679 |
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| Permanent link to this record |
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| |
|
Author |
Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. |
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| |
Title |
Rippling, buckling, and melting of single- and multilayer MoS2 |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
91 |
Issue |
91 |
Pages |
014101 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multilayer (ML) molybdenum disulfide (MoS2). The amplitude of the intrinsic ripples of SL MoS2 are found to be smaller than those exhibited by graphene (GE). Furthermore, because of the van der Waals interaction between layers, the out-of-plane thermal fluctuations of ML MoS2 decreases rapidly with increasing number of layers. This trend is confirmed by the buckling transition due to uniaxial stress which occurs for a significantly larger applied tension as compared to graphene. For SL MoS2, the melting temperature is estimated to be 3700 K which occurs through dimerization followed by the formation of small molecules consisting of two to five atoms. When different types of vacancies are inserted in the SL MoS2 it results in a decrease of both the melting temperature as well as the stiffness. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000347921300001 |
Publication Date |
2015-01-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
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| |
Notes |
; This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Foundation of the Flemish Government. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. We would like to thanks Prof. Douglas E. Spearot [26] for giving us the implemented parameters of Mo-S in LAMMPS. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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| |
Call Number |
c:irua:123834 |
Serial |
2909 |
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| Permanent link to this record |
| |
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| |
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Author |
Colla, M.-S.; Amin-Ahmadi, B.; Idrissi, H.; Malet, L.; Godet, S.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
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Title |
Dislocation-mediated relaxation in nanograined columnar palladium films revealed by on-chip time-resolved HRTEM testing |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
6 |
Issue |
6 |
Pages |
5922 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The high-rate sensitivity of nanostructured metallic materials demonstrated in the recent literature is related to the predominance of thermally activated deformation mechanisms favoured by a large density of internal interfaces. Here we report time-resolved high-resolution electron transmission microscopy creep tests on thin nanograined films using on-chip nanomechanical testing. Tests are performed on palladium, which exhibited unexpectedly large creep rates at room temperature. Despite the small 30-nm grain size, relaxation is found to be mediated by dislocation mechanisms. The dislocations interact with the growth nanotwins present in the grains, leading to a loss of coherency of twin boundaries. The density of stored dislocations first increases with applied deformation, and then decreases with time to drive additional deformation while no grain boundary mechanism is observed. This fast relaxation constitutes a key issue in the development of various micro- and nanotechnologies such as palladium membranes for hydrogen applications. |
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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 |
000348742300002 |
Publication Date |
2015-01-05 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.124 |
Times cited |
34 |
Open Access |
|
|
| |
Notes |
Iap7/21; Fwo G012012n |
Approved |
Most recent IF: 12.124; 2015 IF: 11.470 |
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| |
Call Number |
c:irua:122045 |
Serial |
731 |
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| Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Ab initio study of shallow acceptors in bixbyite V2O3 |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
117 |
Issue |
117 |
Pages |
015703 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000347958600067 |
Publication Date |
2015-01-05 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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| |
Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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| |
Call Number |
c:irua:122728 |
Serial |
35 |
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| Permanent link to this record |
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Author |
Radepont, M.; Coquinot, Y.; Janssens, K.; Ezrati, J.-J.; de Nolf, W.; Cotte, M. |
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Title |
Thermodynamic and experimental study of the degradation of the red pigment mercury sulfide |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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| |
Volume |
30 |
Issue |
3 |
Pages |
599-612 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
The red pigment mercury sulfide, called cinnabar or vermilion, is well known to suffer from an alteration giving rise to a grey, grey-white or black color at the surface of degraded works of art. This phenomenon can dramatically affect the esthetical value of artworks. This work aims at assessing the factors (light, halides) influencing the instability of red mercury sulfide and understanding (by combining thermodynamic and experimental approaches) the chemical equilibria governing the formation and evolution of the different degradation compounds. From the thermodynamic study of the Hg-S-Cl-H2O system, it was concluded that Hg(0), Hg3S2Cl2, and Hg2Cl2 can be formed from the reaction of alpha-HgS with ClO(g). In the second part, the artificial ageing experiments presented were carried out on model samples following the conditions assessed in the first part, in order to reproduce natural ageing observed on red mercury sulfide. Similarly to degradation compounds detected on original works of art, mercury chlorine compounds such as calomel (Hg2Cl2) and corderoite (alpha-Hg3S2Cl2) were identified on the surface of alpha-HgS model samples, when exposed to light and a sodium hypochlorite solution. Sulfates were detected as well, and more particularly gypsum (CaSO4 center dot 2H(2)O) when Ca was originally present in the model sample. The relationship between color and composition is discussed as well. |
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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 |
000350650800005 |
Publication Date |
2015-01-02 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.379 |
Times cited |
26 |
Open Access |
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| |
Notes |
; The authors gratefully acknowledge the ESRF for granting beamtime under proposal no. EC720. Michel Dubus is thanked for providing precious advices concerning ageing protocols. This research was supported by Belgian Science Policy project S2-ART (BELSPO S4DA), the GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0C12.13, G.0704.08 and G.01769.09. ; |
Approved |
Most recent IF: 3.379; 2015 IF: 3.466 |
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Call Number |
UA @ admin @ c:irua:125474 |
Serial |
5877 |
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| Permanent link to this record |
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Author |
Huijben, M.; Liu, Y.; Boschker, H.; Lauter, V.; Egoavil, R.; Verbeeck, J.; te Velthuis, S.G.E.; Rijnders, G.; Koster, G. |
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Title |
Enhanced local magnetization by interface engineering in perovskite-type correlated oxide heterostructures |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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| |
Volume |
2 |
Issue |
2 |
Pages |
1400416 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000349916000001 |
Publication Date |
2015-01-02 |
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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 |
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Edition |
|
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| |
ISSN |
2196-7350; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.279 |
Times cited |
30 |
Open Access |
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| |
Notes |
Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO G004413N; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 4.279; 2015 IF: NA |
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Call Number |
c:irua:125333 c:irua:125333UA @ admin @ c:irua:125333 |
Serial |
1052 |
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| Permanent link to this record |
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Author |
Chen, Z.; Tan, Z.; Ji, G.; Schryvers, D.; Ouyang, Q.; Li, Z. |
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Title |
Effect of interface evolution on thermal conductivity of vacuum hot pressed SiC/Al composites |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Advanced engineering materials |
Abbreviated Journal |
Adv Eng Mater |
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Volume |
17 |
Issue |
17 |
Pages |
1076-1084 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The SiC/Al composites have been fabricated by a vacuum hot pressing (VHP) process in order to study the effect of interface evolution on the global thermal conductivity (TC). By optimizing the VHP parameters of sintering temperature and time, the three different kinds of SiC/Al interface configurations, that is, non-bonded, diffusion-bonded, and reaction-bonded interfaces, are formed and identified by measurement of relative density, X-ray diffraction, scanning and (high-resolution) transmission electron microscopy. The VHPed composite sintered at 655 °C for 60 min is fully dense and presents a tightly-adhered and clean SiC/Al interface at the nanoscale, the ideal diffusion-bonded interface being the most favorable for minimizing interfacial thermal resistance, which in turn results in the highest TC of around 270 W/mK. |
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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 |
000357680700019 |
Publication Date |
2015-01-02 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1438-1656; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.319 |
Times cited |
9 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.319; 2015 IF: 1.758 |
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| |
Call Number |
c:irua:123000 |
Serial |
818 |
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| Permanent link to this record |
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Author |
Vandersteen, G.; Schneidewind, U.; Anibas, C.; Schmidt, C.; Seuntjens, P.; Batelaan, O. |
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Title |
Determining groundwater-surface water exchange from temperature-time series : combining a local polynomial method with a maximum likelihood estimator |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Water resources research |
Abbreviated Journal |
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| |
Volume |
51 |
Issue |
2 |
Pages |
922-939 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
The use of temperature-time series measured in streambed sediments as input to coupled water flow and heat transport models has become standard when quantifying vertical groundwater-surface water exchange fluxes. We develop a novel methodology, called LPML, to estimate the parameters for 1-D water flow and heat transport by combining a local polynomial (LP) signal processing technique with a maximum likelihood (ML) estimator. The LP method is used to estimate the frequency response functions (FRFs) and their uncertainties between the streambed top and several locations within the streambed from measured temperature-time series data. Additionally, we obtain the analytical expression of the FRFs assuming a pure sinusoidal input. The estimated and analytical FRFs are used in an ML estimator to deduce vertical groundwater-surface water exchange flux and its uncertainty as well as information regarding model quality. The LPML method is tested and verified with the heat transport models STRIVE and VFLUX. We demonstrate that the LPML method can correctly reproduce a priori known fluxes and thermal conductivities and also show that the LPML method can estimate averaged and time-variable fluxes from periodic and nonperiodic temperature records. The LPML method allows for a fast computation of exchange fluxes as well as model and parameter uncertainties from many temperature sensors. Moreover, it can utilize a broad frequency spectrum beyond the diel signal commonly used for flux calculations. |
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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 |
000351401200009 |
Publication Date |
2014-12-31 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0043-1397; 0043-137x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:125492 |
Serial |
7797 |
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| Permanent link to this record |
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Author |
Venturi, F.; Calizzi, M.; Bals, S.; Perkisas, T.; Pasquini, L. |
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| |
Title |
Self-assembly of gas-phase synthesized magnesium nanoparticles on room temperature substrates |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Materials research express |
Abbreviated Journal |
Mater Res Express |
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| |
Volume |
2 |
Issue |
2 |
Pages |
015007 |
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| |
Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Magnesium nanoparticles (NPs) with initial size in the 10-50 nmrange were synthesized by inert gas condensation under helium flow and deposited on room temperature substrates. The morphology and crystal structure of the NPs ensemble were investigated as a function of the deposition time by complementary electron microscopy techniques, including high resolution imaging and chemical mapping. With increasing amount of material, strong coarsening phenomena were observed at room temperature: small NPs disappeared while large faceted NPs developed, leading to a 5-fold increase of the average NPs size within a few minutes. The extent of coarsening and the final morphology depended also on the nature of the substrate. Furthermore, large single-crystal NPs were seen to arise from the self-organization of primary NPs units, providing a mechanism for crystal growth. The dynamics of the self-assembly process involves the basic steps of NPs sticking, diffusion on substrate, coordinated rotation and attachment/coalescence. Key features are the surface energy anisotropy, reflected by the faceted shape of the NPs, and the low melting point of the material. The observed phenomena have strong implications in relation to the synthesis and stability of nanostructures based on Mg or other elements with similar features. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000369978500007 |
Publication Date |
2014-12-31 |
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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 |
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Series Issue |
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Edition |
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ISSN |
2053-1591 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.068 |
Times cited |
14 |
Open Access |
Not_Open_Access |
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Notes |
; Financial support by COST Action MP1103 'Nanostructured Materials for Solid-State Hydrogen Storage' is gratefully acknowledged. ; |
Approved |
Most recent IF: 1.068; 2015 IF: NA |
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Call Number |
UA @ lucian @ c:irua:132275 |
Serial |
4240 |
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| Permanent link to this record |
