Records |
Author |
Nozaki, T.; Neyts, E.C.; Sankaran, M.; Ostrikov, K.(K.); Liu, C.-J. |
Title |
Plasmas for enhanced catalytic processes (ISPCEM 2014) |
Type |
Editorial |
Year |
2015 |
Publication |
Catalysis today |
Abbreviated Journal |
Catal Today |
Volume |
256 |
Issue |
256 |
Pages |
1-2 |
Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000360085300001 |
Publication Date |
2015-08-21 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0920-5861; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.636 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.636; 2015 IF: 3.893 |
Call Number |
c:irua:127407 |
Serial |
2641 |
Permanent link to this record |
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|
|
Author |
Sahin, H. |
Title |
Structural and phononic characteristics of nitrogenated holey graphene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
085421 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Recent experimental studies showed that formation of a two-dimensional crystal structure of nitrogenated holey graphene (NHG) is possible. Similar to graphene, NHGs have an atomically thin and strong crystal structure. Using first-principles calculations, we investigate the structural, phononic, and thermal properties of monolayer NHG crystal. Our charge analysis reveals that the charged holey sites of NHG provide a reactive ground for further functionalization by adatoms or molecules. We also found that similar to graphene, the NHG structure has quite high-frequency phonon modes and the presence of nitrogen atoms leads to the emergence of additional vibrational modes. Our phonon analysis reveals the presence of three characteristic Raman-active modes of NHG. Furthermore, the analysis of constant-volume heat capacity showed that the NHG structure has a linear temperature dependence in the low-temperature region. The strong lattice structure and unique thermal properties of the NHG crystal structure are desirable in nanoscale device applications. |
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 |
000359860700007 |
Publication Date |
2015-08-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
49 |
Open Access |
|
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127755 |
Serial |
4252 |
Permanent link to this record |
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Author |
Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. |
Title |
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
081408 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K. |
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 |
000359860700005 |
Publication Date |
2015-08-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
124 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127754 |
Serial |
4034 |
Permanent link to this record |
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Author |
van Laer, K.; Bogaerts, A. |
Title |
Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Energy technology |
Abbreviated Journal |
Energy Technol-Ger |
Volume |
3 |
Issue |
3 |
Pages |
1038-1044 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling. |
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 |
000362913600006 |
Publication Date |
2015-08-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2194-4288 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.789 |
Times cited |
59 |
Open Access |
|
Notes |
This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support |
Approved |
Most recent IF: 2.789; 2015 IF: 2.824 |
Call Number |
c:irua:128224 |
Serial |
3992 |
Permanent link to this record |
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Author |
Gorle, C.; Garcia Sánchez, C.; Iaccarino, G. |
Title |
Quantifying inflow and RANS turbulence model form uncertainties for wind engineering flows |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of wind engineering and industrial aerodynamics
T2 – 6th International Symposium on Computational Wind Engineering (CWE), JUN 08-12, 2014, Hamburg, GERMANY |
Abbreviated Journal |
J Wind Eng Ind Aerod |
Volume |
144 |
Issue |
144 |
Pages |
202-212 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Reynolds-averaged Navier-Stokes (RANS) simulations are often used in the wind engineering practice for the analysis of turbulent bluff body flows. An approach that allows identifying the uncertainty related to the use of reduced-order turbulence models in RANS simulations would significantly increase the confidence in the use of simulation results as a basis for design decisions. In the present study we apply a strategy that enables quantifying these uncertainties by introducing perturbations in the Reynolds stress tensor to simulations of the flow in downtown Oklahoma City. The method is combined with a framework to quantify uncertainties in the inflow wind direction and intensity, and the final result of the UQ approach is compared to field measurement data for the velocity at 13 locations in the downtown area. (C) 2015 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000360874900023 |
Publication Date |
2015-08-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0167-6105 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.049 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.049; 2015 IF: 1.414 |
Call Number |
UA @ lucian @ c:irua:127843 |
Serial |
4230 |
Permanent link to this record |
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Author |
Moldovan, D.; Peeters, F.M. |
Title |
Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physica status solidi: rapid research letters |
Abbreviated Journal |
Phys Status Solidi-R |
Volume |
10 |
Issue |
10 |
Pages |
39-45 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels
the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°. |
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 |
000368814500005 |
Publication Date |
2015-08-18 |
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 |
1862-6254; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.032 |
Times cited |
9 |
Open Access |
|
Notes |
This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. |
Approved |
Most recent IF: 3.032; 2015 IF: 2.142 |
Call Number |
c:irua:129592 |
Serial |
3970 |
Permanent link to this record |
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Author |
Lander, L.; Rousse, G.; Abakumov, A.M.; Sougrati, M.; Van Tendeloo, G.; Tarascon, J.-M. |
Title |
Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume |
3 |
Issue |
3 |
Pages |
19754-19764 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior. |
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 |
000362041300018 |
Publication Date |
2015-08-17 |
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 |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.867; 2015 IF: 7.443 |
Call Number |
UA @ lucian @ c:irua:132566 |
Serial |
4253 |
Permanent link to this record |
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Author |
Chen, J.J.; Wang, Q.; Meng, J.; Ke, X.; Van Tendeloo, G.; Bie, Y.Q.; Liu, J.; Liu, K.; Liao, Z.M.; Sun, D.; Yu, D.; |
Title |
Photovoltaic effect and evidence of carrier multiplication in graphene vertical homojunctions with asymmetrical metal contacts |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
9 |
Issue |
9 |
Pages |
8851-8858 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Graphene exhibits exciting potentials for high-speed wideband photodetection and high quantum efficiency solar energy harvest because of its broad spectral absorption, fast photoelectric response, and potential carrier multiplication. Although photocurrent can be generated near a metalgraphene interface in lateral devices, the photoactive area is usually limited to a tiny one-dimensional line-like interface region. Here, we report photoelectric devices based on vertical graphene two-dimensional homojunction, which is fabricated via vertically stacking four graphene monolayers with asymmetric metal contacts. The devices show excellent photovoltaic output with excitation wavelength ranging from visible light to mid-infrared. The wavelength dependence of the internal quantum efficiency gives direct evidence of the carrier multiplication effect in graphene. The simple fabrication process, easy scale-up, large photoresponsive active area, and broadband response of the vertical graphene device are very promising for practical applications in optoelectronics and photovoltaics. |
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 |
000361935800023 |
Publication Date |
2015-08-15 |
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 |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited |
11 |
Open Access |
|
Notes |
246791 Countatoms |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
Call Number |
c:irua:127689 |
Serial |
2615 |
Permanent link to this record |
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Author |
Bia, P.; Caratelli, D.; Mescia, L.; Gielis, J. |
Title |
Analysis and synthesis of supershaped dielectric lens antennas |
Type |
A1 Journal article |
Year |
2015 |
Publication |
IET microwaves, antennas and propagation |
Abbreviated Journal |
|
Volume |
9 |
Issue |
14 |
Pages |
1497-1504 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Mass communications; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A novel class of supershaped dielectric lens antennas, whose geometry is described by the three-dimensional (3D) Gielis formula, is introduced and analysed. To this end, a hybrid modelling approach based on geometrical and physical optics is adopted in order to efficiently analyse the multiple wave reflections occurring within the lens and to evaluate the relevant impact on the radiation properties of the antenna under analysis. The developed modelling procedure has been validated by comparison with numerical results already reported in the literature and, afterwards, applied to the electromagnetic characterisation of Gielis dielectric lens antennas with shaped radiation pattern. Furthermore, a dedicated optimisation algorithm based on quantum particle swarm optimisation has been developed for the synthesis of 3D supershaped lens antennas with single feed, as well as with beamforming capabilities. |
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 |
000364491200002 |
Publication Date |
2015-08-14 |
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 |
1751-8725 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:128659 |
Serial |
7441 |
Permanent link to this record |
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Author |
Kang, J.; Sahin, H.; Ozaydin, H.D.; Senger, R.T.; Peeters, F.M. |
Title |
TiS3 nanoribbons : width-independent band gap and strain-tunable electronic properties |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
075413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 10(3) cm(2) V-1 s(-1). The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors. |
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 |
000359344100014 |
Publication Date |
2015-08-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
55 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus-Long Marie Curie Fellowship, and J.K. is supported by a FWO Pegasus-Short Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127760 |
Serial |
4259 |
Permanent link to this record |
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Author |
Arsoski, V.V.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. |
Title |
An efficient finite-difference scheme for computation of electron states in free-standing and core-shell quantum wires |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
Volume |
197 |
Issue |
197 |
Pages |
17-26 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schrodinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schrodinger equation by central finite differences leads to a non-symmetric Hamiltonian matrix. Because diagonalization of such matrices is more complex it is advantageous to transform it in a symmetric form. This can be done by the Liouville-like transformation proposed by Rizea et al. (2008), which replaces the wave function psi(rho) with the function F(rho) = psi(rho)root rho and transforms the Hamiltonian accordingly. Even though a symmetric Hamiltonian matrix is produced by this procedure, the computed wave functions are found to be inaccurate near the origin, and the accuracy of the energy levels is not very high. In order to improve on this, we devised a finite-difference scheme which discretizes the Schrodinger equation in the first step, and then applies the Liouville-like transformation to the difference equation. Such a procedure gives a symmetric Hamiltonian matrix, resulting in an accuracy comparable to the one obtained with the finite element method. The superior efficiency of the new finite-difference scheme (FDM) is demonstrated for a few p-dependent one-dimensional potentials which are usually employed to model the electron states in free-standing and core shell quantum wires. The new scheme is compared with the other FDM schemes for solving the effective-mass Schrodinger equation, and is found to deliver energy levels with much smaller numerical error for all the analyzed potentials. It also gives more accurate results than the scheme of Rizea et al., except for the ground state of an infinite rectangular potential in freestanding quantum wires. Moreover, the PT symmetry is invoked to explain similarities and differences between the considered FDM schemes. (C) 2015 Elsevier B.V. All rights reserved. |
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 |
000362919500003 |
Publication Date |
2015-08-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0010-4655 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.936 |
Times cited |
4 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia (project III 45003) and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.936; 2015 IF: 3.112 |
Call Number |
UA @ lucian @ c:irua:129412 |
Serial |
4139 |
Permanent link to this record |
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Author |
Vagin, M.Y.; Trashin, S.A.; Beloglazkina, E.K.; Majouga, A.G. |
Title |
Direct reagentless detection of the affinity binding of recombinant His-tagged firefly luciferase with a nickel-modified gold electrode |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Mendeleev communications |
Abbreviated Journal |
|
Volume |
25 |
Issue |
4 |
Pages |
290-292 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The direct reagentless electrochemical detection of recombinant firefly luciferase binding with a gold electrode modified with nickel complex of 1,16-di[4-(2,6-dihydroxycarbonyl)pyridyl]-1,16-dioxa-8,9-dithiahexadecane has been carried out. |
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 |
000360416600021 |
Publication Date |
2015-08-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9436 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:127814 |
Serial |
7811 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Gao, F.; Li, X.-C.; Bogaerts, A.; Wang, Y.-N. |
Title |
Fluid simulation of the bias effect in inductive/capacitive discharges |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
Volume |
33 |
Issue |
33 |
Pages |
061303 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Computer simulations are performed for an argon inductively coupled plasma (ICP) with a capacitive radio-frequency bias power, to investigate the bias effect on the discharge mode transition and on the plasma characteristics at various ICP currents, bias voltages, and bias frequencies. When the bias frequency is fixed at 13.56 MHz and the ICP current is low, e.g., 6A, the spatiotemporal averaged plasma density increases monotonically with bias voltage, and the bias effect is already prominent at a bias voltage of 90 V. The maximum of the ionization rate moves toward the bottom electrode, which indicates clearly the discharge mode transition in inductive/capacitive discharges. At higher ICP currents, i.e., 11 and 13 A, the plasma density decreases first and then increases with bias voltage, due to the competing mechanisms between the ion acceleration power dissipation and the capacitive power deposition. At 11 A, the bias effect is still important, but it is noticeable only at higher bias voltages. At 13 A, the ionization rate is characterized by a maximum at the reactor center near the dielectric window at all selected bias voltages, which indicates that the ICP power, instead of the bias power, plays a dominant role under this condition, and no mode transition is observed. Indeed, the ratio of the bias power to the total power is lower than 0.4 over a wide range of bias voltages, i.e., 0300V. Besides the effect of ICP current, also the effect of various bias frequencies is investigated. It is found that the modulation of the bias power to the spatiotemporal distributions of the ionization rate at 2MHz is strikingly different from the behavior observed at higher bias frequencies. Furthermore, the minimum of the plasma density appears at different bias voltages, i.e., 120V at 2MHz and 90V at 27.12 MHz. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000365503800020 |
Publication Date |
2015-08-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0734-2101;1520-8559; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.374 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.374; 2015 IF: 2.322 |
Call Number |
c:irua:126824 |
Serial |
1229 |
Permanent link to this record |
|
|
|
Author |
Saha, S.; Badhe, N.; Seuntjens, D.; Vlaeminck, S.E.; Biswas, R.; Nandy, T. |
Title |
Effective carbon and nutrient treatment solutions for mixed domestic-industrial wastewater in India |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Water science and technology |
Abbreviated Journal |
|
Volume |
72 |
Issue |
4 |
Pages |
651-657 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The present study evaluates effectiveness of up-flow anaerobic sludge blanket (UASB) reactor followed by two post-anaerobic treatment options, namely free-surface, up-flow constructed wetland (FUP-CW) and oxygen-limited anaerobic nitrification/denitrification (OLAND) processes in treating sewage from the peri-urban areas in India receiving illegal industrial infiltrations. The UASB studies yielded robust results towards fluctuating strength of sewage and consistently removed 87-98% chemical oxygen demand (COD) at a hydraulic retention time of 1.5-2 d. The FUP-CW removed 68.5 +/- 13% COD, 68 +/- 3% NH4+-N, 38 +/- 5% PO43--P, 97.6 +/- 5% suspended particles and 97 +/- 13% fecal coliforms. Nutrient removal was found to be limiting in FUP-CW, especially in winter. Nitrogen removal in the OLAND process were 100 times higher than the FUP-CW process. Results show that UASB followed by FUP-CW can be an excellent, decentralized sewage treatment option, except during winter when nutrient removal is limited in FUP-CW. Hence, the study proposes bio-augmentation of FUP-CW with OLAND biomass for overall improvement in the performance of UASB followed by FUP-CW process. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000359387200019 |
Publication Date |
2015-08-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0273-1223; 1996-9732 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:127775 |
Serial |
7840 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
Title |
Theory of thermal expansion in 2D crystals |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
Volume |
252 |
Issue |
252 |
Pages |
2433-2437 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The thermal expansion alpha(T) in layered crystals is of fundamental and technological interest. As suggested by I. M. Lifshitz in 1952, in thin solid films (crystalline membranes) a negative contribution to alpha(T) is due to anharmonic couplings between in-plane stretching modes and out-of-plane bending (flexural modes). Genuine in-plane anharmonicities give a positive contribution to alpha(T). The competition between these two effects can lead to a change of sign (crossover) from a negative value of alpha(T) in a temperature (T) range T <= T-alpha to a positive value of alpha(T) for T > T-alpha in layered crystals. Here, we present an analytical lattice dynamical theory of these phenomena for a two-dimensional (2D) hexagonal crystal. We start from a Hamiltonian that comprises anharmonic terms of third and fourth order in the lattice displacements. The in-plane and out-of-plane contributions to the thermal expansion are studied as functions of T for crystals of different sizes. Besides, renormalization of the flexural mode frequencies plays a crucial role in determining the crossover temperature T-alpha. Numerical examples are given for graphene where the anharmonic couplings are determined from experiments. The theory is applicable to other layer crystals wherever the anharmonic couplings are known. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000364690400014 |
Publication Date |
2015-08-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.674 |
Times cited |
21 |
Open Access |
|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the Euro GRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 1.674; 2015 IF: 1.489 |
Call Number |
UA @ lucian @ c:irua:130281 |
Serial |
4264 |
Permanent link to this record |
|
|
|
Author |
Kamaraj, B.; Bogaerts, A. |
Title |
Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study |
Type |
A1 Journal article |
Year |
2015 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
Volume |
10 |
Issue |
10 |
Pages |
e0134638 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000359061400096 |
Publication Date |
2015-08-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-6203; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.806 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.806; 2015 IF: 3.234 |
Call Number |
c:irua:126779 |
Serial |
3278 |
Permanent link to this record |
|
|
|
Author |
da Silva, R.M.; Milošević, M.V.; Shanenko, A.A.; Peeters, F.M.; Albino Aguiar, J. |
Title |
Giant paramagnetic Meissner effect in multiband superconductors |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
Volume |
5 |
Issue |
5 |
Pages |
12695 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Superconductors, ideally diamagnetic when in the Meissner state, can also exhibit paramagnetic behavior due to trapped magnetic flux. In the absence of pinning such paramagnetic response is weak, and ceases with increasing sample thickness. Here we show that in multiband superconductors paramagnetic response can be observed even in slab geometries, and can be far larger than any previous estimate – even multiply larger than the diamagnetic Meissner response for the same applied magnetic field. We link the appearance of this giant paramagnetic response to the broad crossover between conventional Type-I and Type-II superconductors, where Abrikosov vortices interact non-monotonically and multibody effects become important, causing unique flux configurations and their locking in the presence of surfaces. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000359143700001 |
Publication Date |
2015-08-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2045-2322; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.259 |
Times cited |
25 |
Open Access |
|
Notes |
; This work was supported by the Brazilian science agencies CAPES (PNPD 223038.003145/2011-00), CNPq (307552/2012-8, 141911/2012-3, and APV-4 02937/ 2013-9), and FACEPE (APQ-0202-1.05/10 and BCT-0278-1.05/11), the Flemish Science Foundation (FWO-Vl), and by the CNPq-FWO cooperation programme (CNPq 490297/2009-9). R.M.S. acknowledges support from the SRS PhD+ program of the University Cooperation for Development of the Flemish Interuniversity Council (VLIR-UOS). M.V.M. acknowledges support from CNPq (APV-4 02937/2013-9), FACEPE (APV-0034-1.05/14), and CAPES (BEX1392/11-5). ; |
Approved |
Most recent IF: 4.259; 2015 IF: 5.578 |
Call Number |
c:irua:127212 |
Serial |
1339 |
Permanent link to this record |
|
|
|
Author |
Caretti, I.; Keulemans, M.; Verbruggen, S.W.; Lenaerts, S.; Van Doorslaer, S. |
Title |
Light-induced processes in plasmonic Gold/TiO2 photocatalysts studied by electron paramagnetic resonance |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Topics in catalysis |
Abbreviated Journal |
Top Catal |
Volume |
58 |
Issue |
12 |
Pages |
776-782 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
X-band and W-band continuous-wave (CW) electron paramagnetic resonance (EPR) was used to study in situ light-induced (LI) mechanisms in commercial P90 titania (90 % anatase/10 % rutile) compared to plasmon-enhanced Au-P90 photocatalyst. These materials were excited using UV and 532 nm visible light to generate different excitation states and distinguish pure charge separation from plasmon-assisted resonance processes. Up to nine different photoinduced species of trapped electrons and holes were identified. LI CW EPR of P90 is presented for the first time, showing a UV excitation response similar to the well-known mixed-phase P25 titania. It is shown that incorporation of Au nanoparticles in Au-P90 and formation of a Schottky junction affects the charge separation state of the catalyst under UV light. Moreover, Au impregnation activated P90 through plasmon hot electron injection under visible light excitation (plasmonic sensitization effect). In general, EPR proved to be crucial to determine the different photoexciation paths and reactions that regulate plasmonic photocatalysis. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000360011200008 |
Publication Date |
2015-08-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1022-5528 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.486 |
Times cited |
22 |
Open Access |
|
Notes |
; IC and SVD acknowledge the Research Foundation-Flanders (FWO) for financial support (Grant G.0687.13). SV thanks FWO for financial support through a postdoctoral fellowship and MK acknowledges the agency for Innovation by Science and Technology in Flanders (IWT) for financial support (Ph.D. Grant). ; |
Approved |
Most recent IF: 2.486; 2015 IF: 2.365 |
Call Number |
UA @ admin @ c:irua:127413 |
Serial |
5968 |
Permanent link to this record |
|
|
|
Author |
Woo, S.Y.; Gauquelin, N.; Nguyen, H.P.T.; Mi, Z.; Botton, G.A. |
Title |
Interplay of strain and indium incorporation in InGaN/GaN dot-in-a-wire nanostructures by scanning transmission electron microscopy |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
26 |
Issue |
26 |
Pages |
344002 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The interplay between strain and composition is at the basis of heterostructure design to engineer new properties. The influence of the strain distribution on the incorporation of indium during the formation of multiple InGaN/GaN quantum dots (QDs) in nanowire (NW) heterostructures has been investigated, using the combined techniques of geometric phase analysis of atomic-resolution images and quantitative elemental mapping from core-loss electron energy-loss spectroscopy within scanning transmission electron microscopy. The variation in In-content between successive QDs within individual NWs shows a dependence on the magnitude of compressive strain along the growth direction within the underlying GaN barrier layer, which affects the incorporation of In-atoms to minimize the local effective strain energy. Observations suggest that the interfacial misfit between InGaN/GaN within the embedded QDs is mitigated by strain partitioning into both materials, and results in normal stresses inflicted by the presence of the surrounding GaN shell. These experimental measurements are linked to the local piezoelectric polarization fields for individual QDs, and are discussed in terms of the photoluminescence from an ensemble of NWs. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000359079500003 |
Publication Date |
2015-08-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.44; 2015 IF: 3.821 |
Call Number |
UA @ lucian @ c:irua:136278 |
Serial |
4504 |
Permanent link to this record |
|
|
|
Author |
Hoek, M.; Coneri, F.; Poccia, N.; Renshaw Wang, X.; Ke, X.; Van Tendeloo, G.; Hilgenkamp, H. |
Title |
Strain accommodation through facet matching in La1.85Sr0.15CuO4/Nd1.85Ce0.15CuO4 ramp-edge junctions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
APL materials |
Abbreviated Journal |
Apl Mater |
Volume |
3 |
Issue |
3 |
Pages |
086101 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Scanning nano-focused X-ray diffraction and high-angle annular dark-field scanning transmission electron microscopy are used to investigate the crystal structure of ramp-edge junctions between superconducting electron-doped Nd1.85Ce0.15CuO4 and superconducting hole-doped La1.85Sr0.15CuO4 thin films, the latter being the top layer. On the ramp, a new growth mode of La1.85Sr0.15CuO4 with a 3.3° tilt of the c-axis is found. We explain the tilt by developing a strain accommodation model that relies on facet matching, dictated by the ramp angle, indicating that a coherent domain boundary is formed at the interface. The possible implications of this growth mode for the creation of artificial domains in morphotropic materials are discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000360656800009 |
Publication Date |
2015-08-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2166-532X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.335 |
Times cited |
4 |
Open Access |
|
Notes |
312483 Esteem2; 246791 Countatoms; esteem2_jra2 |
Approved |
Most recent IF: 4.335; 2015 IF: NA |
Call Number |
c:irua:127690 c:irua:127690 |
Serial |
3163 |
Permanent link to this record |
|
|
|
Author |
Li, M.R.; Retuerto, M.; Deng, Z.; Stephens, P.W.; Croft, M.; Huang, Q.; Wu, H.; Deng, X.; Kotliar, G.; Sánchez-Benítez, J.; Hadermann, J.; Walker, D.; Greenblatt, M.; |
Title |
Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6 |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
54 |
Issue |
54 |
Pages |
12069-12073 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The first transition-metal-only double perovskite compound, Mn2+ Fe-2(3+) Re5+ O-6, with 17 unpaired d electrons displays ferrimagnetic ordering up to 520K and a giant positive magnetoresistance of up to 220% at 5K and 8 T. These properties result from the ferrimagnetically coupled Fe and Re sublattice and are affected by a two-to-one magnetic-structure transition of the Mn sublattice when a magnetic field is applied. Theoretical calculations indicate that the half-metallic state can be mainly attributed to the spin polarization of the Fe and Re sites. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000363396000031 |
Publication Date |
2015-08-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
Call Number |
UA @ lucian @ c:irua:129457 |
Serial |
4186 |
Permanent link to this record |
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|
|
Author |
Martinez, G.T.; Jones, L.; de Backer, A.; Béché, A.; Verbeeck, J.; Van Aert, S.; Nellist, P.D. |
Title |
Quantitative STEM normalisation : the importance of the electron flux |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
159 |
Issue |
159 |
Pages |
46-58 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Annular dark-field (ADF) scanning transmission electron microscopy (STEM) has become widely used in quantitative studies based on the opportunity to directly compare experimental and simulated images. This comparison merely requires the experimental data to be normalised and expressed in units of fractional beam-current. However, inhomogeneities in the response of electron detectors can complicate this normalisation. The quantification procedure becomes both experiment and instrument specific, requiring new simulations for the particular response of each instrument's detector, and for every camera-length used. This not only impedes the comparison between different instruments and research groups, but can also be computationally very time consuming. Furthermore, not all image simulation methods allow for the inclusion of an inhomogeneous detector response. In this work, we propose an alternative method for normalising experimental data in order to compare these with simulations that consider a homogeneous detector response. To achieve this, we determine the electron flux distribution reaching the detector by means of a camera-length series or a so-called atomic column cross-section averaged convergent beam electron diffraction (XSACBED) pattern. The result is then used to determine the relative weighting of the detector response. Here we show that the results obtained by this new electron flux weighted (EFW) method are comparable to the currently used method, while considerably simplifying the needed simulation libraries. The proposed method also allows one to obtain a metric that describes the quality of the detector response in comparison with the ideal detector response. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000366220000006 |
Publication Date |
2015-08-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
27 |
Open Access |
|
Notes |
246791 Countatoms; 278510 Vortex; 312483 Esteem2; Fwo G036815; G036915; G037413; G004413; esteem2ta ECASJO; |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
Call Number |
c:irua:127293 c:irua:127293UA @ admin @ c:irua:127293 |
Serial |
2762 |
Permanent link to this record |
|
|
|
Author |
Morozov, V.A.; Arakcheeva, A.V.; Pattison, P.; Meert, K.W.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J. |
Title |
KEu(MoO4)2 : polymorphism, structures, and luminescent properties |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
5519-5530 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this paper, with the example of two different polymorphs of KEu(MoO4)2, the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A′,A″)n[(B′,B″)O4]m is investigated. The polymorphs were synthesized using a solid state method. The study confirmed the existence of only two polymorphic forms at annealing temperature range 9231203 K and ambient pressure: a low temperature anorthic α-phase and a monoclinic high temperature β-phase with an incommensurately modulated structure. The structures of both polymorphs were solved using transmission electron microscopy and refined from synchrotron powder X-ray diffraction data. The monoclinic β-KEu(MoO4)2 has a (3+1)-dimensional incommensurately modulated structure (superspace group I2/b(αβ0)00, a = 5.52645(4) Å, b = 5.28277(4) Å, c = 11.73797(8) Å, γ = 91.2189(4)o, q = 0.56821(2)a*0.12388(3)b*), whereas the anorthic α-phase is (3+1)-dimensional commensurately modulated (superspace group I1̅(αβγ)0, a = 5.58727(22) Å, b = 5.29188(18)Å, c = 11.7120(4) Å, α = 90.485(3)o, β = 88.074(3)o, γ = 91.0270(23)o, q = 1/2a* + 1/2c*). In both cases the modulation arises due to Eu/K cation ordering at the A site: the formation of a 2-dimensional Eu3+ network is characteristic for the α-phase, while a 3-dimensional Eu3+-framework is observed for the β-phase structure. The luminescent properties of KEu(MoO4)2 samples prepared under different annealing conditions were measured, and the relation between their optical properties and their structures is discussed. |
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Wos |
000360323700011 |
Publication Date |
2015-07-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
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Notes |
278510 Vortex; Fwo G039211n; G004413n ECASJO_; |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:127244 |
Serial |
3537 |
Permanent link to this record |
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Author |
Maheshi, D.; Van Passel, S.; Van Karel, A. |
Title |
Environmental and economic assessment of 'open waste dump' mining in Sri Lanka |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
Volume |
102 |
Issue |
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Pages |
67-79 |
Keywords |
A1 Journal article; Engineering Management (ENM) |
Abstract |
Open waste dumps in Sri Lanka generate adverse environmental and socio-economic impacts due to inadequate maintenance. In this study, a concept of 'open waste dump mining' is suggested in order to minimise the environmental and socio-economic impacts, together with resource recovery. A model based on life cycle assessment and life cycle costing has been used to assess the environmental and economic feasibility of the suggested open waste dump mining concept. Two scenarios have been defined for a hypothetical case, dependent on the destination of the refuse derived fuel fraction. Scenario 1 comprises direct selling of refuse derived fuel as an alternative fuel to replace coal usage in the cement industry, while Scenario 2 consists of thermal treatment of refuse derived fuel with the objective of producing electricity. The study shows that both scenarios are beneficial from an environmental point of view, but not from an economic view point. However, economic profits can be obtained by adjusting waste transport distances and the price of electricity. The environmental analysis further reveals that the higher global warming potential of open waste dumps can be eliminated to a large extent by applying suggested mining and waste valorisation scenarios. (C) 2015 Elsevier B.V. All rights reserved. |
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Place of Publication |
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Wos |
000362147800008 |
Publication Date |
2015-07-24 |
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 |
0921-3449 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.313 |
Times cited |
26 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.313; 2015 IF: 2.564 |
Call Number |
UA @ admin @ c:irua:128753 |
Serial |
6196 |
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Author |
Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A. |
Title |
Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
5161-5169 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles. |
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Wos |
000359499100003 |
Publication Date |
2015-07-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
OpenAccess |
Notes |
J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:127758 |
Serial |
3977 |
Permanent link to this record |
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Author |
Verbruggen, S.W. |
Title |
TiO2 photocatalysis for the degradation of pollutants in gas phase : from morphological design to plasmonic enhancement |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of photochemistry and photobiology: C: photochemistry reviews |
Abbreviated Journal |
J Photoch Photobio C |
Volume |
24 |
Issue |
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Pages |
64-82 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
TiO2-based photocatalysis has become a viable technology in various application fields such as (waste)water purification, photovoltaics/artificial photosynthesis, environmentally friendly organic synthesis and remediation of air pollution. Because of the increasing impact of bad air quality worldwide, this review focuses on the use and optimization of TiO2-based photocatalysts for gas phase applications. Over the past years various specific aspects of TiO2 photocatalysis have been reviewed individually. The intent of this review is to offer a broad tutorial on (recent) trends in TiO2 photocatalyst modification for the intensification of photocatalytic air treatment. After briefly introducing the fundamentals of photocatalysis, TiO2 photocatalyst modification is discussed both on a morphological and an electronic level from the perspective of gas phase applications. The main focus is laid on recent developments, but also possible opportunities to the field. This review is intended as a solid introduction for researchers new to the field, as well as a summarizing update for established investigators. (C) 2015 Elsevier B.V. All rights reserved. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000360420600004 |
Publication Date |
2015-07-23 |
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 |
1389-5567 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.317 |
Times cited |
121 |
Open Access |
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Notes |
; The author wishes to thank the Research Foundation Flanders (FWO) for the financial support and postdoctoral fellowship. ; |
Approved |
Most recent IF: 12.317; 2015 IF: 16.091 |
Call Number |
UA @ admin @ c:irua:127801 |
Serial |
5997 |
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Author |
Ghosh, S.; Gaspari, R.; Bertoni, G.; Spadaro, M.C.; Prato, M.; Turner, S.; Cavalli, A.; Manna, L.; Brescia, R. |
Title |
Pyramid-Shaped Wurtzite CdSe Nanocrystals with Inverted Polarity |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
9 |
Issue |
9 |
Pages |
8537-8546 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
We report on pyramid-shaped wurtzite cadmium selenide (CdSe) nanocrystals (NCs), synthesized by hot injection in the presence of chloride ions as shape-directing agents, exhibiting reversed crystal polarity compared to former reports. Advanced transmission electron microscopy (TEM) techniques (image-corrected high-resolution TEM with exit wave reconstruction and probe-corrected high-angle annular dark field-scanning TEM) unequivocally indicate that the triangular base of the pyramids is the polar (0001) facet and their apex points toward the [0001] direction. Density functional theory calculations, based on a simple model of binding of Cl(-) ions to surface Cd atoms, support the experimentally evident higher thermodynamic stability of the (0001) facet over the (0001) one conferred by Cl(-) ions. The relative stability of the two polar facets of wurtzite CdSe is reversed compared to previous experimental and computational studies on Cd chalcogenide NCs, in which no Cl-based chemicals were deliberately used in the synthesis or no Cl(-) ions were considered in the binding models. Self-assembly of these pyramids in a peculiar clover-like geometry, triggered by the addition of oleic acid, suggests that the basal (polar) facet has a density and perhaps type of ligands significantly different from the other three facets, since the pyramids interact with each other exclusively via their lateral facets. A superstructure, however with no long-range order, is observed for clovers with their (0001) facets roughly facing each other. The CdSe pyramids were also exploited as seeds for CdS pods growth, and the peculiar shape of the derived branched nanostructures clearly arises from the inverted polarity of the seeds. |
Address |
Department of Nanochemistry, Istituto Italiano di Tecnologia (IIT) , via Morego 30, I-16163 Genova, Italy |
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Place of Publication |
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Language |
English |
Wos |
000360323300085 |
Publication Date |
2015-07-23 |
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 |
1936-0851;1936-086X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited |
16 |
Open Access |
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Notes |
PMID:26203791 |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
Call Number |
c:irua:127807 |
Serial |
3956 |
Permanent link to this record |
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Author |
Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.; |
Title |
Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties |
Type |
A1 Journal article |
Year |
2015 |
Publication |
CrystEngComm |
Abbreviated Journal |
Crystengcomm |
Volume |
17 |
Issue |
17 |
Pages |
6219-6226 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment. |
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Place of Publication |
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Wos |
000358915300018 |
Publication Date |
2015-07-23 |
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 |
1466-8033; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.474 |
Times cited |
25 |
Open Access |
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Notes |
The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. |
Approved |
Most recent IF: 3.474; 2015 IF: 4.034 |
Call Number |
c:irua:127237 |
Serial |
3531 |
Permanent link to this record |
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Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Magneto-optical transport properties of monolayer phosphorene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
045420 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency omega in the range (h) over bar omega similar to 1.5-2 eV. Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices. |
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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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Language |
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Wos |
000358373600003 |
Publication Date |
2015-07-23 |
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 |
Impact Factor |
3.836 |
Times cited |
68 |
Open Access |
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Notes |
; This work was supported by the the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127192 |
Serial |
1903 |
Permanent link to this record |
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Author |
Matulis, A.; Zarenia, M.; Peeters, F.M. |
Title |
Wave fronts and packets in 1D models of different meta-materials : graphene, left-handed media and transmission line |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
Volume |
252 |
Issue |
252 |
Pages |
2330-2338 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A comparative study is made of the propagation of wave packets and fronts in three different meta-media, i.e. graphene, left-handed media (LHM) and transmission lines, using one-dimensional models. It is shown that a potential step in graphene influences only the frequency of the electronic wave, i.e., the particular spectrum branch (electron or hole) to which the wave belongs to, while the envelop function (the wave front or packet form) remains unchanged. Although the model for a vacuum and LHM interface is similar to that of the potential step in graphene, the solutions are quite different due to differences in the chirality of the waves. Comparing the propagation of wave fronts and packets in a standard transmission line and its meta-analog we demonstrate that the propagating packets in the meta-line are much more deformed as compared to the standard one, including broadening, asymmetry and even the appearance of fast moving precursors. This influence is seen not only in the case of packets with steep fronts but in soft Gaussian packets as well. |
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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 |
000362722300025 |
Publication Date |
2015-07-20 |
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 |
0370-1972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
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Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government, and the European Social Fund under the Global Grant Measure (Grant No. VP1-3.1-SMM-07-K-02-046). ; |
Approved |
Most recent IF: 1.674; 2015 IF: 1.489 |
Call Number |
UA @ lucian @ c:irua:128776 |
Serial |
4277 |
Permanent link to this record |