Records |
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
20 |
Pages |
205306 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000327161500007 |
Publication Date |
2013-11-20 |
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 |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
Permanent link to this record |
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Author |
Lichte, H.; Dunin-Borkowski, R.; Tillmann, K.; Van Aert, S.; Van Tendeloo, G. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
65th birthdays of W. Owen Saxton, David J. Smith and Dirk Van Dyck / PICO 2013 From multislice to big bang |
Type |
ME3 Book as editor |
Year |
2013 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
ME3 Book as editor; Electron microscopy for materials research (EMAT) |
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 |
Amsterdam |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:109918 |
Serial |
19 |
Permanent link to this record |
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Author |
He, Z.B.; Deng, G.; Tian, H.; Xu, Q.; Van Tendeloo, G. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
90° Rotation of orbital stripes in bilayer manganite PrCa2Mn2O7 studied by in situ transmission electron microscopy |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
200 |
Issue |
|
Pages |
287-293 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We present an in situ transmission electron microscopy study on the half-doped bilayer manganite PrCa2Mn2O7 to reveal the rotation process of the orbital stripes. Between the reported initial and final ordering phases, we identified an intermediate state with two sets of satellite spots to bridge the 90° rotation of the orbital stripes. Furthermore, we determined that the rotation of the orbital stripes does not always occur. Some restricted conditions for the orbital rotation to occur were found and reasons are discussed. |
Address |
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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 |
000317158000043 |
Publication Date |
2013-02-08 |
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 |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
Notes |
Countatoms |
Approved |
Most recent IF: 2.299; 2013 IF: 2.200 |
Call Number |
UA @ lucian @ c:irua:106183 |
Serial |
20 |
Permanent link to this record |
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Author |
Rather, J.A.; Pilehvar, S.; De Wael, K. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A biosensor fabricated by incorporation of a redox mediator into a carbon nanotube/nafion composite for tyrosinase immobilization : detection of matairesinol, an endocrine disruptor |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The analyst |
Abbreviated Journal |
Analyst |
Volume |
238 |
Issue |
|
Pages |
204-210 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
An electrochemical matairesinol biosensor was fabricated by immobilizing tyrosinase on a poly(thionine)/nafion/multi-walled carbon nanotube composite film. A polymeric film of the redox dye thionine enables the stable immobilization of tyrosinase while acting as a mediator for the enzymatic process has been incorporated into the carbon nanotube/nafion composite film. The immobilization method is based on crosslinking of the tyrosinase layer with an electropolymerized film of poly(thionine). The good homogenization of the electron conductor CNTs in the integrated films provides the possibility of a three-dimensional electron conductive network. The biosensor was characterized by electrochemical impedance spectroscopy and electrochemical characterization. The composite electrode exhibits catalytic activity, high sensitivity, stability and is applicable over a wide range of concentrations from 180 nM to 4.33 μM with a detection limit (LOD) of 37 nM. The obtained results suggest that the developed sensor can be successfully used for the determination of phenolic endocrine disruptors over a concentration range covering their environmental levels. |
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 |
000311823200025 |
Publication Date |
2012-10-26 |
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 |
0003-2654 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.885 |
Times cited |
23 |
Open Access |
|
Notes |
; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the authors (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; |
Approved |
Most recent IF: 3.885; 2013 IF: 3.906 |
Call Number |
UA @ admin @ c:irua:101648 |
Serial |
5490 |
Permanent link to this record |
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Author |
Ustarroz, J.; Hammons, J.A.; Altantzis, T.; Hubin, A.; Bals, S.; Terryn, H. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A generalized electrochemical aggregative growth mechanism |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
Volume |
135 |
Issue |
31 |
Pages |
11550-11561 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The early stages of nanocrystal nucleation and growth are still an active field of research and remain unrevealed. In this work, by the combination of aberration-corrected transmission electron microscopy (TEM) and electrochemical characterization of the electrodeposition of different metals, we provide a complete reformulation of the VolmerWeber 3D island growth mechanism, which has always been accepted to explain the early stages of metal electrodeposition and thin-film growth on low-energy substrates. We have developed a Generalized Electrochemical Aggregative Growth Mechanism which mimics the atomistic processes during the early stages of thin-film growth, by incorporating nanoclusters as building blocks. We discuss the influence of new processes such as nanocluster self-limiting growth, surface diffusion, aggregation, and coalescence on the growth mechanism and morphology of the resulting nanostructures. Self-limiting growth mechanisms hinder nanocluster growth and favor coalescence driven growth. The size of the primary nanoclusters is independent of the applied potential and deposition time. The balance between nucleation, nanocluster surface diffusion, and coalescence depends on the material and the overpotential, and influences strongly the morphology of the deposits. A small extent of coalescence leads to ultraporous dendritic structures, large surface coverage, and small particle size. Contrarily, full recrystallization leads to larger hemispherical monocrystalline islands and smaller particle density. The mechanism we propose represents a scientific breakthrough from the fundamental point of view and indicates that achieving the right balance between nucleation, self-limiting growth, cluster surface diffusion, and coalescence is essential and opens new, exciting possibilities to build up enhanced supported nanostructures using nanoclusters as building blocks. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000323019400034 |
Publication Date |
2013-06-28 |
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 |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.858 |
Times cited |
124 |
Open Access |
|
Notes |
Fow; Hercules |
Approved |
Most recent IF: 13.858; 2013 IF: 11.444 |
Call Number |
UA @ lucian @ c:irua:109453 |
Serial |
1323 |
Permanent link to this record |
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Author |
Mortier, S.T.F.C.; Van Hoey, S.; Cierkens, K.; Gernaey, K.V.; Seuntjens, P.; De Baets, B.; De Beer, T.; Nopens, I. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A GLUE uncertainty analysis of a drying model of pharmaceutical granules |
Type |
A1 Journal article |
Year |
2013 |
Publication |
European journal of pharmaceutics and biopharmaceutics |
Abbreviated Journal |
|
Volume |
85 |
Issue |
3:b |
Pages |
984-995 |
Keywords |
A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A shift from batch processing towards continuous processing is of interest in the pharmaceutical industry. However, this transition requires detailed knowledge and process understanding of all consecutive unit operations in a continuous manufacturing line to design adequate control strategies. This can be facilitated by developing mechanistic models of the multi-phase systems in the process. Since modelling efforts only started recently in this field, uncertainties about the model predictions are generally neglected. However, model predictions have an inherent uncertainty (i.e. prediction uncertainty) originating from uncertainty in input data, model parameters, model structure, boundary conditions and software. In this paper, the model prediction uncertainty is evaluated for a model describing the continuous drying of single pharmaceutical wet granules in a six-segmented fluidized bed drying unit, which is part of the full continuous from-powder-to-tablet manufacturing line (Consigma (TM), GEA Pharma Systems). A validated model describing the drying behaviour of a single pharmaceutical granule in two consecutive phases is used. First of all, the effect of the assumptions at the particle level on the prediction uncertainty is assessed. Secondly, the paper focuses on the influence of the most sensitive parameters in the model. Finally, a combined analysis (particle level plus most sensitive parameters) is performed and discussed. To propagate the uncertainty originating from the parameter uncertainty to the model output, the Generalized Likelihood Uncertainty Estimation (GLUE) method is used. This method enables a modeller to incorporate the information obtained from the experimental data in the assessment of the uncertain model predictions and to find a balance between model performance and data precision. A detailed evaluation of the obtained uncertainty analysis results is made with respect to the model structure, interactions between parameters and uncertainty boundaries. (C) 2013 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 |
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Editor |
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Language |
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Wos |
000330200800019 |
Publication Date |
2013-03-29 |
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 |
0939-6411 |
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:114876 |
Serial |
8005 |
Permanent link to this record |
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Author |
Alfeld, M.; Pedroso, J.V.; van Hommes, M.E.; van der Snickt, G.; Tauber, G.; Blaas, J.; Haschke, M.; Erler, K.; Dik, J.; Janssens, K. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A mobile instrument for in situ scanning macro-XRF investigation of historical paintings |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
28 |
Issue |
5 |
Pages |
760-767 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Scanning macro-X-ray fluorescence analysis (MA-XRF) is rapidly being established as a technique for the investigation of historical paintings. The elemental distribution images acquired by this method allow for the visualization of hidden paint layers and thus provide insight into the artist's creative process and the painting's conservation history. Due to the lack of a dedicated, commercially available instrument the application of the technique was limited to a few groups that constructed their own instruments. We present the first commercially available XRF scanner for paintings, consisting of an X-ray tube mounted with a Silicon-Drift (SD) detector on a motorized stage to be moved in front of a painting. The scanner is capable of imaging the distribution of the main constituents of surface and sub-surface paint layers in an area of 80 by 60 square centimeters with dwell times below 10 ms and a lateral resolution below 100 mu m. The scanner features for a broad range of elements between Ti (Z = 22) and Mo (Z = 42) a count rate of more than 1000 counts per second (cps)?mass percent and detection limits of 100 ppm for measurements of 1 s duration. Next to a presentation of spectrometric figures of merit, the value of the technique is illustrated through a case study of a painting by Rembrandt's student Govert Flinck (1615-1660). |
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 |
000317674200019 |
Publication Date |
2013-03-22 |
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 |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.379 |
Times cited |
106 |
Open Access |
|
Notes |
; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents the results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. M. Alfeld receives a Ph. D. fellowship of the Research Foundation-Flanders (FWO). We thank J. Langerock for allowing us to examine the portable altar triptych shown in Fig. 5. ; |
Approved |
Most recent IF: 3.379; 2013 IF: 3.396 |
Call Number |
UA @ admin @ c:irua:108517 |
Serial |
5453 |
Permanent link to this record |
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Author |
Zhang, J.; Ke, X.; Gou, G.; Seidel, J.; Xiang, B.; Yu, P.; Liang, W.I.; Minor, A.M.; Chu, Y.h.; Van Tendeloo, G.; Ren, X.; Ramesh, R.; |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A nanoscale shape memory oxide |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
Volume |
4 |
Issue |
|
Pages |
2768-8 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Stimulus-responsive shape-memory materials have attracted tremendous research interests recently, with much effort focused on improving their mechanical actuation. Driven by the needs of nanoelectromechanical devices, materials with large mechanical strain, particularly at nanoscale level, are therefore desired. Here we report on the discovery of a large shape-memory effect in bismuth ferrite at the nanoscale. A maximum strain of up to ~14% and a large volumetric work density of ~600±90 J cm−3 can be achieved in association with a martensitic-like phase transformation. With a single step, control of the phase transformation by thermal activation or electric field has been reversibly achieved without the assistance of external recovery stress. Although aspects such as hysteresis, microcracking and so on have to be taken into consideration for real devices, the large shape-memory effect in this oxide surpasses most alloys and, therefore, demonstrates itself as an extraordinary material for potential use in state-of-art nanosystems. |
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 |
000328023900006 |
Publication Date |
2013-11-19 |
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 |
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Edition |
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ISSN |
2041-1723; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
67 |
Open Access |
|
Notes |
Countatoms |
Approved |
Most recent IF: 12.124; 2013 IF: 10.742 |
Call Number |
UA @ lucian @ c:irua:111431 |
Serial |
2271 |
Permanent link to this record |
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Author |
Lizin, S.; Leroy, J.; Delvenne, C.; Dijk, M.; De Schepper, E.; Van Passel, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A patent landscape analysis for organic photovoltaic solar cells : identifying the technology's development phase |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Renewable Energy |
Abbreviated Journal |
Renew Energ |
Volume |
57 |
Issue |
|
Pages |
5-11 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Organic photovoltaics (OPV) have developed into a vast research area. Progress in various directions has made it difficult to monitor the technology's precise development state. We offer a patent landscape analysis over all OPV devices, their substrates and encapsulation materials to provide an overview of patenting activity from a historical, organizational, geographical and technological point of view. Such an exercise is instrumental for private companies and research institutes aiming at both internal or external technology creation. We discuss our findings in the context of the Industrial Life Cycle model and find OPV still residing in the fluid technology development phase. Technology development is still following an exponential growth path, with the majority of patents coming from the Asian continent and in general private companies. For devices, the main technological focus can be traced back to the “H01L-031” international patent classification (IPC) main group. For the queried substrates, the most attention has gone to glass, but paper and textile have drawn significant interest too. Finally, encapsulation is found to be a less mature research field given the smaller number of patent families. The latter shows that the technology has not matured to the level where processing is carried out on a commercial scale. (C) 2013 Elsevier Ltd. 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 |
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Editor |
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Language |
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Wos |
000319025000002 |
Publication Date |
2013-02-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0960-1481 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.357 |
Times cited |
18 |
Open Access |
|
Notes |
; The authors are much obliged to INTERREG for their financial support of the ORGANEXT project (www.organext.org), without which it would have been impossible to conduct this research. ; |
Approved |
Most recent IF: 4.357; 2013 IF: 3.361 |
Call Number |
UA @ admin @ c:irua:127551 |
Serial |
6143 |
Permanent link to this record |
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Author |
Fougerolle, Y.D.; Truchetet, F.; Demonceaux, C.; Gielis, J. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A robust evolutionary algorithm for the recovery of rational Gielis curves |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Pattern recognition |
Abbreviated Journal |
|
Volume |
46 |
Issue |
8 |
Pages |
2078-2091 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Gielis curves (GC) can represent a wide range of shapes and patterns ranging from star shapes to symmetric and asymmetric polygons, and even self intersecting curves. Such patterns appear in natural objects or phenomena, such as flowers, crystals, pollen structures, animals, or even wave propagation. Gielis curves and surfaces are an extension of Lamé curves and surfaces (superquadrics) which have benefited in the last two decades of extensive researches to retrieve their parameters from various data types, such as range images, 2D and 3D point clouds, etc. Unfortunately, the most efficient techniques for superquadrics recovery, based on deterministic methods, cannot directly be adapted to Gielis curves. Indeed, the different nature of their parameters forbids the use of a unified gradient descent approach, which requires initial pre-processings, such as the symmetry detection, and a reliable pose and scale estimation. Furthermore, even the most recent algorithms in the literature remain extremely sensitive to initialization and often fall into local minima in the presence of large missing data. We present a simple evolutionary algorithm which overcomes most of these issues and unifies all of the required operations into a single though efficient approach. The key ideas in this paper are the replacement of the potential fields used for the cost function (closed form) by the shortest Euclidean distance (SED, iterative approach), the construction of cost functions which minimize the shortest distance as well as the curve length using R-functions, and slight modifications of the evolutionary operators. We show that the proposed cost function based on SED and R-function offers the best compromise in terms of accuracy, robustness to noise, and missing data. |
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 |
000317944800002 |
Publication Date |
2013-01-29 |
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 |
0031-3203 |
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:107181 |
Serial |
8485 |
Permanent link to this record |
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Author |
Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
Volume |
74 |
Issue |
1 |
Pages |
45-50 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems. |
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 |
|
Wos |
000311062500009 |
Publication Date |
2012-08-10 |
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 |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.059 |
Times cited |
36 |
Open Access |
|
Notes |
Fwo; Bof-Nio |
Approved |
Most recent IF: 2.059; 2013 IF: 1.594 |
Call Number |
UA @ lucian @ c:irua:101782 |
Serial |
3004 |
Permanent link to this record |
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Author |
Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Reumermann, P.; Luzardo, N.M.; Witters, N.; Broeze, J. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
A techno-economic evaluation of a biomass energy conversion park |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied Energy |
Abbreviated Journal |
Appl Energ |
Volume |
104 |
Issue |
|
Pages |
611-622 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Biomass as a renewable energy source has many advantages and is therefore recognized as one of the main renewable energy sources to be deployed in order to attain the target of 20% renewable energy use of final energy consumption by 2020 in Europe. In this paper the concept of a biomass Energy Conversion Park (ECP) is introduced. A biomass ECP can be defined as a synergetic, multi-dimensional biomass conversion site with a highly integrated set of conversion technologies in which a multitude of regionally available biomass (residue) sources are converted into energy and materials. A techno-economic assessment is performed on a case study in the Netherlands to illustrate the concept and to comparatively assess the highly integrated system with two mono-dimensional models. The three evaluated models consist of (1) digestion of the organic fraction of municipal solid waste, (2) co-digestion of manure and co-substrates, and (3) integration. From a socio-economic point of view it can be concluded that it is economically and energetically more interesting to invest in the integrated model than in two separate models. The integration is economically feasible and environmental benefits can be realized. For example, the integrated model allows the implementation of a co-digester. Unmanaged manure would otherwise represent a constant pollution risk. However, from an investor's standpoint one should firstly invest in the municipal solid waste digester since the net present value (NPV) of this mono-dimensional model is higher than that of the multi-dimensional model. A sensitivity analysis is performed to identify the most influencing parameters. Our results are of interest for companies involved in the conversion of biomass. The conclusions are useful for policy makers when deciding on policy instruments concerning manure processing or biogas production. (C) 2012 Elsevier Ltd. 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 |
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Editor |
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Language |
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Wos |
000316152700062 |
Publication Date |
2012-12-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0306-2619 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.182 |
Times cited |
45 |
Open Access |
|
Notes |
; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. Furthermore, the authors gratefully acknowledge the financial support from INTERREG and the province of Limburg (Belgium). Also, we would like to thank all remaining partners of the ECP project (Eloi Schreurs, Dries Maes, Kristian Coppoolse, Han ten Berge, Bert Annevelink, Nathalie Devriendt, Erwin Cornelissen, Hannes Pieper, Pieter Vollaard, Jan Venselaar, and Hessel Abbink Spaink) for their support and contributions. Finally, we would like to express our gratitude towards the organization of the eighth International Conference on Renewable Resources and Biorefineries in Toulouse (France) for giving us the opportunity to present and thereby fine-tune our work. ; |
Approved |
Most recent IF: 7.182; 2013 IF: 5.261 |
Call Number |
UA @ admin @ c:irua:127552 |
Serial |
6145 |
Permanent link to this record |
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|
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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 |
000329299700025 |
Publication Date |
2013-10-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
|
Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
Permanent link to this record |
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|
|
Author |
Gielis, J.; Tavkhelidze, I.; Ricci, P.E. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
About “bulky” links generated by generalized Möbius-Listing bodies GML2n |
Type |
A2 Journal article |
Year |
2013 |
Publication |
Journal of mathematical sciences |
Abbreviated Journal |
|
Volume |
193 |
Issue |
3 |
Pages |
449-460 |
Keywords |
A2 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In this paper, we consider the bulky knots and bulky links, which appear after cutting of a Generalized MöbiusListing GMLn2 body (with the radial cross section a convex plane 2-symmetric figure with two vertices) along a different Generalized MöbiusListing surfaces GMLn2 situated in it. The aim of this report is to investigate the number and geometric structure of the independent objects that appear after such a cutting process of GMLn2 bodies. In most cases we are able to count the indices of the resulting mathematical objects according to the known classification for the standard knots and links. |
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 |
|
Publication Date |
2013-08-03 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1072-3374; 1573-8795 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:110953 |
Serial |
7404 |
Permanent link to this record |
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|
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Author |
Tavkhelidze, I.; Cassisa, C.; Gielis, J.; Ricci, P.E. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
About “bulky” links, generated by generalized Möbius Listing's bodies GML3n |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Matematica e applicazioni : atti della Accademia nazionale dei Lincei |
Abbreviated Journal |
|
Volume |
24 |
Issue |
1 |
Pages |
11-38 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In the present paper we consider the “bulky knots'' and ”bulky links'', which appear after cutting a Generalized Möbius Listing's GMLn3 body (whose radial cross section is a plane 3-symmetric figure with three vertices) along different Generalized Möbius Listing's surfaces GMLn2 situated in it. This article is aimed to investigate the number and geometric structure of the independent objects appearing after such a cutting process of GMLn3 bodies. In most cases we are able to count the indices of the resulting mathematical objects according to the known tabulation for Knots and Links of small complexity. |
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 |
000316567700002 |
Publication Date |
2013-03-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1120-6357 |
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:107174 |
Serial |
7405 |
Permanent link to this record |
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|
Author |
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085444-85448 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface. |
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 |
000315482900007 |
Publication Date |
2013-02-27 |
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 |
169 |
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, High Performance and Grid Computing 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. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107071 |
Serial |
60 |
Permanent link to this record |
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|
|
Author |
Sahin, H.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085423-85429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423 |
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 |
000315146500008 |
Publication Date |
2013-02-19 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
281 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). 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 Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107663 |
Serial |
62 |
Permanent link to this record |
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Author |
Goris, B.; Roelandts, T.; Batenburg, K.J.; Heidari Mezerji, H.; Bals, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Advanced reconstruction algorithms for electron tomography : from comparison to combination |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
127 |
Issue |
|
Pages |
40-47 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this work, the simultaneous iterative reconstruction technique (SIRT), the total variation minimization (TVM) reconstruction technique and the discrete algebraic reconstruction technique (DART) for electron tomography are compared and the advantages and disadvantages are discussed. Furthermore, we describe how the result of a three dimensional (3D) reconstruction based on TVM can provide objective information that is needed as the input for a DART reconstruction. This approach results in a tomographic reconstruction of which the segmentation is carried out in an objective manner. |
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 |
000316659100007 |
Publication Date |
2012-08-02 |
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 |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
63 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2013 IF: 2.745 |
Call Number |
UA @ lucian @ c:irua:101217 |
Serial |
72 |
Permanent link to this record |
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Author |
Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
Sci Technol Adv Mat |
Volume |
14 |
Issue |
1 |
Pages |
014206-14213 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Sendai |
Editor |
|
Language |
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Wos |
000316463800008 |
Publication Date |
2013-03-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1468-6996;1878-5514; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.798 |
Times cited |
6 |
Open Access |
|
Notes |
Fwo; Iap; Esteem |
Approved |
Most recent IF: 3.798; 2013 IF: 2.613 |
Call Number |
UA @ lucian @ c:irua:107343 |
Serial |
77 |
Permanent link to this record |
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Author |
Krupińska, B.; Van Grieken, R.; De Wael, K. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Air quality monitoring in a museum for preventive conservation : results of a three-year study in the Plantin-Moretus Museum in Antwerp, Belgium |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
Volume |
110 |
Issue |
|
Pages |
350-360 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Through different research projects on air quality in museums, researcher and conservators try identifying various risks of air pollution on materials. The conclusions may be later translated into specific actions for a maximum preservation of the museum collections, a process known as preventive conservation. Air pollution is a particular problem in historical buildings such as museums, because they were not originally built to exhibit and protect art objects in a sustainable way. This article reports on the data and results that were obtained during 10 sampling campaigns, in the period between November 2008 and February 2012 in a museum in Antwerp (Belgium), i.e. Plantin-Moretus Museum/Print Room. Different pollutants were measured inside and outside the museum such as inorganic gases, particulate matter and black carbon. The report specifically addresses environmental factors that may be responsible for damage to the collections present in museums. Thanks to the knowledge about the current situation in the museum, accurate solutions regarding preventive conservation, in general, are suggested. |
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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 |
000326851200051 |
Publication Date |
2013-05-21 |
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 |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.034 |
Times cited |
46 |
Open Access |
|
Notes |
; The presented work was realised in the frame of the project Preventive conservation/preservation in the museum Plantin-Moretus/Prentenkabinet, Antwerp, financed by the Flemish Government. Special thanks are due to Mrs Hanne Moris and Mrs Elke van Herck and all the staff of the Museum Plantin-Moretus/Print Room in Antwerp for their sincere interest in this work and their eager assistance during all the sampling campaigns. VMM and Dr. Edward Roekens is acknowledged for sharing the black carbon measurements. Barbara Krupinska is supported as PhD student by the Flemish Fund for Scientific Research (FWO, Belgium). ; |
Approved |
Most recent IF: 3.034; 2013 IF: 3.583 |
Call Number |
UA @ admin @ c:irua:108402 |
Serial |
5460 |
Permanent link to this record |
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Author |
Herremans, D.; Cagno, S.; Vincke, A.; Janssens, K.; De Clercq, W. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
All crystal clear : 18th-century glass à la façon de Bohème from the cistercian nunnery of Clairefontaine, Belgium |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of glass studies |
Abbreviated Journal |
|
Volume |
55 |
Issue |
|
Pages |
137-+ |
Keywords |
A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Excavations at the Cistercian nunnery of Clairefontaine, located near Arlon in the south of Belgium, revealed an assemblage of 18th-century colorless glass. The morphology of the vessels and the engraved decoration suggest a central European origin or, at least, stylistic inspiration. The composition of the glass points to a recipe combining silica, lime, and potash: a colorless potash glass a la facon de Boheme. This article considers the technology, morphology, and origin of the vessels. The art-historical analysis is supported by chemical research (scanning electron microscopy energy-dispersive X-ray spectroscopy [SEM-EDX]). The finds are also discussed in light of the emerging northwestern European glass industry, changing consumer practices during the 18th century, and their meaning for the inhabitants of the abbey. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
0075-4250 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:114603 |
Serial |
5461 |
Permanent link to this record |
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Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
19 |
Pages |
195307-195312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation 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 |
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Editor |
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Language |
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Wos |
000319252200003 |
Publication Date |
2013-05-21 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
Permanent link to this record |
|
|
|
Author |
Wang, A.; Turner, S.; Van Aert, S.; van Dyck, D. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
An alternative approach to determine attainable resolution directly from HREM images |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
133 |
Issue |
|
Pages |
50-61 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000324471800007 |
Publication Date |
2013-05-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.843 |
Times cited |
|
Open Access |
|
Notes |
FWO; Hercules; Esteem2; esteem2_jra2 |
Approved |
Most recent IF: 2.843; 2013 IF: 2.745 |
Call Number |
UA @ lucian @ c:irua:109919 |
Serial |
90 |
Permanent link to this record |
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|
|
Author |
Lawson, N.C.; Janyavula, S.; Çakir, D.; Burgess, J.O. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
An analysis of the physiologic parameters of intraoral wear: a review |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
Volume |
46 |
Issue |
40 |
Pages |
Unsp 404007 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
This paper reviews the conditions of in vivo mastication and describes a novel method of measuring in vitro wear. Methods: parameters of intraoral wear are reviewed in this analysis, including chewing force, tooth sliding distance, food abrasivity, saliva lubrication, and antagonist properties. Results: clinical measurement of mastication forces indicates a range of normal forces between 20 and 140 N for a single molar. During the sliding phase of mastication, horizontal movement has been measured between 0.9 and 2.86 mm. In vivo wear occurs by three-body abrasion when food particles are interposed between teeth and by two-body abrasion after food clearance. Analysis of food particles used in wear testing reveals that food particles are softer than enamel and large enough to separate enamel and restoration surfaces and act as a solid lubricant. In two-body wear, saliva acts as a boundary lubricant with a viscosity of 3 cP. Enamel is the most relevant antagonist material for wear testing. The shape of a palatal cusp has been estimated as a 0.6 mm diameter ball and the hardest region of a tooth is its enamel surface. pH values and temperatures have been shown to range between 2-7 and 5-55 degrees C in intraoral fluids, respectively. These intraoral parameters have been used to modify the Alabama wear testing method. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
|
Publication Date |
2013-09-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.588 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
Call Number |
UA @ lucian @ c:irua:128322 |
Serial |
4585 |
Permanent link to this record |
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|
|
Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
An electric field tunable energy band gap at silicene/(0001) ZnS interfaces |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
15 |
Issue |
11 |
Pages |
3702-3705 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The interaction of silicene, the silicon counterpart of graphene, with (0001) ZnS surfaces is investigated theoretically, using first-principles simulations. The charge transfer occurring at the silicene/(0001) ZnS interface leads to the opening of an indirect energy band gap of about 0.7 eV in silicene. Remarkably, the nature (indirect or direct) and magnitude of the energy band gap of silicene can be controlled by an external electric field: the energy gap is predicted to become direct for electric fields larger than about 0.5 V angstrom(-1), and the direct energy gap decreases approximately linearly with the applied electric field. The predicted electric field tunable energy band gap of the silicene/(0001) ZnS interface is very promising for its potential use in nanoelectronic devices. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000315165100002 |
Publication Date |
2013-01-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
74 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.123; 2013 IF: 4.198 |
Call Number |
UA @ lucian @ c:irua:107702 |
Serial |
94 |
Permanent link to this record |
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|
|
Author |
Li, D.Y.; Zeng, Y.J.; Pereira, L.M.C.; Batuk, D.; Hadermann, J.; Zhang, Y.Z.; Ye, Z.Z.; Temst, K.; Vantomme, A.; Van Bael, M.J.; Van Haesendonck, C.; |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Anisotropic magnetism and spin-dependent transport in Co nanoparticle embedded ZnO thin films |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
114 |
Issue |
3 |
Pages |
033909-6 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Oriented Co nanoparticles were obtained by Co ion implantation in crystalline ZnO thin films grown by pulsed laser deposition. Transmission electron microscopy revealed the presence of elliptically shaped Co precipitates with nanometer size, which are embedded in the ZnO thin films, resulting in anisotropic magnetic behavior. The low-temperature resistance of the Co-implanted ZnO thin films follows the Efros-Shklovskii type variable-range-hopping. Large negative magnetoresistance (MR) exceeding 10% is observed in a magnetic field of 1 T at 2.5K and the negative MR survives up to 250K (0.3%). The negative MR reveals hysteresis as well as anisotropy that correlate well with the magnetic properties, clearly demonstrating the presence of spin-dependent transport. (C) 2013 AIP Publishing LLC. |
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 |
000322202700071 |
Publication Date |
2013-07-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
Call Number |
UA @ lucian @ c:irua:110765 |
Serial |
126 |
Permanent link to this record |
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Author |
Leroux, F.; Bladt, E.; Timmermans, J.-P.; Van Tendeloo, G.; Bals, S. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Annular dark-field transmission electron microscopy for low contrast materials |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
Volume |
19 |
Issue |
3 |
Pages |
629-634 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Imaging soft matter by transmission electron microscopy (TEM) is anything but straightforward. Recently, interest has grown in developing alternative imaging modes that generate contrast without additional staining. Here, we present a dark-field TEM technique based on the use of an annular objective aperture. Our experiments demonstrate an increase in both contrast and signal-to-noise ratio in comparison to conventional bright-field TEM. The proposed technique is easy to implement and offers an alternative imaging mode to investigate soft matter. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Cambridge, Mass. |
Editor |
|
Language |
|
Wos |
000319126300014 |
Publication Date |
2013-04-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1431-9276;1435-8115; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.891 |
Times cited |
5 |
Open Access |
|
Notes |
262348 Esmi; Fwo G002410n G018008 |
Approved |
Most recent IF: 1.891; 2013 IF: 2.161 |
Call Number |
UA @ lucian @ c:irua:108712 |
Serial |
133 |
Permanent link to this record |
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Author |
Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
16 |
Pages |
165409-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409 |
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 |
|
Wos |
000317195400007 |
Publication Date |
2013-04-05 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
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 |
365 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:108471 |
Serial |
134 |
Permanent link to this record |
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Author |
Grujić, M.; Tadić, M.; Peeters, F.M. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Antiferromagnetism in hexagonal graphene structures : rings versus dots |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085434-85436 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Themean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that both types of structures can have a larger antiferromagnetic interaction as compared with hexagonal dots. This difference could be partially ascribed to the larger number of zigzag edges per unit area in rings than in dots. Furthermore, edge states localized on the inner ring edge are found to hybridize differently than the edge states of dots, which results in important differences in the magnetism of graphene rings and dots. The largest staggered magnetization is found when the outer edge has a zigzag shape. However, narrow rings with armchair outer edge are found to have larger staggered magnetization than zigzag hexagons. The edge defects are shown to have the least effect on magnetization when the outer ring edge is armchair shaped. DOI: 10.1103/PhysRevB.87.085434 |
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 |
|
Wos |
000315146600005 |
Publication Date |
2013-02-20 |
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 |
29 |
Open Access |
|
Notes |
; This work was supported by the EuroGRAPHENE programme of the ESF (project CONGRAN), the Serbian Ministry of Education, Science, and Technological Development, and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107661 |
Serial |
137 |
Permanent link to this record |
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|
Author |
Roland, M.; Serrano-Ortiz, P.; Kowalski, A.S.; Van Grieken, R.; Janssens, I.A.; et al. |
Title ![sorted by Title field, ascending order (up)](img/sort_asc.gif) |
Atmospheric turbulence triggers pronounced diel pattern in karst carbonate geochemistry |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Biogeosciences |
Abbreviated Journal |
|
Volume |
10 |
Issue |
7 |
Pages |
5009-5017 |
Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
CO2 exchange between terrestrial ecosystems and the atmosphere is key to understanding the feedbacks between climate change and the land surface. In regions with carbonaceous parent material, CO2 exchange patterns occur that cannot be explained by biological processes, such as disproportionate outgassing during the daytime or night-time CO2 uptake during periods when all vegetation is senescent. Neither of these phenomena can be attributed to carbonate weathering reactions, since their CO2 exchange rates are too small. Soil ventilation induced by high atmospheric turbulence is found to explain atypical CO2 exchange between carbonaceous systems and the atmosphere. However, by strongly altering subsurface CO2 concentrations, ventilation can be expected to influence carbonate weathering rates. By imposing ventilation-driven CO2 outgassing in a carbonate weathering model, we show here that carbonate geochemistry is accelerated and does play a surprisingly large role in the observed CO2 exchange pattern of a semi-arid ecosystem. We found that by rapidly depleting soil CO2 during the daytime, ventilation disturbs soil carbonate equilibria and therefore strongly magnifies daytime carbonate precipitation and associated CO2 production. At night, ventilation ceases and the depleted CO2 concentrations increase steadily. Dissolution of carbonate is now enhanced, which consumes CO2 and largely compensates for the enhanced daytime carbonate precipitation. This is why only a relatively small effect on global carbonate weathering rates is to be expected. On the short term, however, ventilation has a drastic effect on synoptic carbonate weathering rates, resulting in a pronounced diel pattern that exacerbates the non-biological behavior of soil-atmosphere CO2 exchanges in dry regions with carbonate soils. |
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 |
|
Wos |
000322242700039 |
Publication Date |
2013-07-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1726-4170; 1726-4189 |
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:109862 |
Serial |
7533 |
Permanent link to this record |