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Author den Dekker, A.J.; Gonnissen, J.; de Backer, A.; Sijbers, J.; Van Aert, S.
Title Estimation of unknown structure parameters from high-resolution (S)TEM images : what are the limits? Type A1 Journal article
Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 134 Issue Pages 34-43
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Statistical parameter estimation theory is proposed as a quantitative method to measure unknown structure parameters from electron microscopy images. Images are then purely considered as data planes from which structure parameters have to be determined as accurately and precisely as possible using a parametric statistical model of the observations. For this purpose, an efficient algorithm is proposed for the estimation of atomic column positions and intensities from high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. Furthermore, the so-called CramérRao lower bound (CRLB) is reviewed to determine the limits to the precision with which continuous parameters such as atomic column positions and intensities can be estimated. Since this lower bound can only be derived for continuous parameters, alternative measures using the principles of detection theory are introduced for problems concerning the estimation of discrete parameters such as atomic numbers. An experimental case study is presented to show the practical use of these measures for the optimization of the experiment design if the purpose is to decide between the presence of specific atom types using STEM images.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000324474900006 Publication Date 2013-06-01
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 (down) 31 Open Access
Notes FWO; FP 2007-2013; Esteem2; esteem2_jra2 Approved Most recent IF: 2.843; 2013 IF: 2.745
Call Number UA @ lucian @ c:irua:109240 Serial 1083
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Author Autrique, D.; Clair, G.; L'Hermite, D.; Alexiades, V.; Bogaerts, A.; Rethfeld, B.
Title The role of mass removal mechanisms in the onset of ns-laser induced plasma formation Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 114 Issue 2 Pages 023301-23310
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The present study focuses on the role of mass removal mechanisms in ns-laser ablation. A copper sample is placed in argon, initially set at standard pressure and temperature. Calculations are performed for a 6 ns laser pulse with a wavelength of 532 nm and laser fluences up to 10 J/cm2. The transient behavior in and above the copper target is described by a hydrodynamic model. Transmission profiles and ablation depths are compared with experimental results and similar trends are found. Our calculations reveal an interesting self-inhibiting mechanism: volumetric mass removal in the supercritical region triggers plasma shielding and therefore stops proceeding. This self-limiting process indicates that volumetric mass removal does not necessarily result in large ablation depths.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000321761600006 Publication Date 2013-07-08
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 (down) 31 Open Access
Notes Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:109237 Serial 2915
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Author da Pieve, F.; Hogan, C.; Lamoen, D.; Verbeeck, J.; Vanmeert, F.; Radepont, M.; Cotte, M.; Janssens, K.; Gonze, X.; Van Tendeloo, G.
Title Casting light on the darkening of colors in historical paintings Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 20 Pages 208302-208305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The degradation of colors in historical paintings affects our cultural heritage in both museums and archeological sites. Despite intensive experimental studies, the origin of darkening of one of the most ancient pigments known to humankind, vermilion (α-HgS), remains unexplained. Here, by combining many-body theoretical spectroscopy and high-resolution microscopic x-ray diffraction, we clarify the composition of the damaged paint work and demonstrate possible physicochemical processes, induced by illumination and exposure to humidity and air, that cause photoactivation of the original pigment and the degradation of the secondary minerals. The results suggest a new path for the darkening process which was never considered by previous studies and prompt a critical examination of their findings.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000327244500003 Publication Date 2013-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (down) 30 Open Access
Notes Vortex; ERC FP7; COUNTATOMS; ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:111396UA @ admin @ c:irua:111396 Serial 287
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Author Vos, W.; de Backer, J.; Poli, G.; De Volder, A.; Ghys, L.; Van Holsbeke, C.; Vinchurkar, S.; De Backer, L.; de Backer, W.
Title Novel functional imaging of changes in small airways of patients treated with extrafine beclomethasone/formoterol Type A1 Journal article
Year 2013 Publication Respiration Abbreviated Journal Respiration
Volume 86 Issue 5 Pages 393-401
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Background: Inhaled formulations using extrafine particles of long-acting beta(2)-agonists and corticosteroids were developed to optimize asthma treatment. Findings that these combinations reach and treat smaller airways more effectively are predominantly based on general non-specific outcomes with little information on regional characteristics. Objectives: This study aims to assess long-term effects of extrafine beclomethasone/formoterol on small airways of asthmatic patients using novel functional imaging methods. Methods: Twenty-four stable asthma patients were subdivided into three groups (steroid naive, n = 7; partially controlled, n = 6; well controlled, n = 11). Current treatment was switched to a fixed combination of extrafine beclomethasone/formoterol (Foster (R); Chiesi Pharmaceuticals, Parma, Italy). Patients underwent lung function evaluation and thorax high-resolution computerized tomography (HRCT) scan. Local airway resistance was obtained from computational fluid dynamics (CFD). Results: After 6 months, the entire population showed improvement in pre-bronchodilation imaging parameters, including small airway volume (p = 0.0007), resistance (p = 0.011), and asthma control score (p = 0.016). Changes in small airway volume correlated with changes in asthma control score (p = 0.004). Forced expiratory volume in 1 s (p = 0.044) and exhaled nitric oxide (p = 0.040) also improved. Functional imaging provided more detail and clinical relevance compared to lung function tests, especially in the well-controlled group where only functional imaging parameters showed significant improvement, while the correlation with asthma control score remained. Conclusions: Extrafine beclomethasone/formoterol results in a significant reduction of small airway obstruction, detectable by functional imaging (HRCT/CFD). Changes in imaging parameters correlated significantly with clinically relevant improvements. This indicates that functional imaging is a useful tool for sensitive assessment of changes in the respiratory system after asthma treatment. Copyright (C) 2013 S. Karger AG, Basel
Address
Corporate Author Thesis
Publisher Place of Publication Basel Editor
Language Wos 000329046200006 Publication Date 2013-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1423-0356;0025-7931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.772 Times cited (down) 30 Open Access
Notes ; ; Approved Most recent IF: 2.772; 2013 IF: 2.924
Call Number UA @ lucian @ c:irua:113762 Serial 2376
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Author Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G.
Title Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays) Type A1 Journal article
Year 2013 Publication Environmental Pollution Abbreviated Journal Environ Pollut
Volume 178 Issue Pages 375-380
Keywords A1 Journal article; Economics
Abstract Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000320487700050 Publication Date 2013-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0269-7491 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.099 Times cited (down) 30 Open Access
Notes ; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ; Approved Most recent IF: 5.099; 2013 IF: 3.902
Call Number UA @ admin @ c:irua:129870 Serial 6247
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Author Grujić, M.; Tadić, M.; Peeters, F.M.
Title 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
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315146600005 Publication Date 2013-02-20
Series Editor Series Title Abbreviated Series Title
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 (down) 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
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
Title Atomic spectroscopy Type A1 Journal article
Year 2013 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 85 Issue 2 Pages 670-704
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000313668400013 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited (down) 29 Open Access
Notes Approved Most recent IF: 6.32; 2013 IF: 5.825
Call Number UA @ lucian @ c:irua:104719 Serial 190
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Author Zarenia, M.; Partoens, B.; Chakraborty, T.; Peeters, F.M.
Title Electron-electron interactions in bilayer graphene quantum dots Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 24 Pages 245432-245435
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328688600010 Publication Date 2014-01-09
Series Editor Series Title Abbreviated Series Title
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 (down) 29 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), and the Methusalem foundation of the Flemish Government. T. C. is supported by the Canada Research Chairs program of the Government of Canada. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:113698 Serial 926
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Author Samal, D.; Tan, H.; Molegraaf, H.; Kuiper, B.; Siemons, W.; Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Takamura, Y.; Arenholz, E.; Jenkins, C.A.; Rijnders, G.; Koster, G.
Title Experimental evidence for oxygen sublattice control in polar infinite layer SrCuO2 Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 9 Pages 096102-96105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A recent theoretical study [ Phys. Rev. B 85 121411(R) (2012)] predicted a thickness limit below which ideal polar cuprates turn nonpolar driven by the associated electrostatic instability. Here we demonstrate this possibility by inducing a structural transformation from the bulk planar to chainlike structure upon reducing the SrCuO2 repeat thickness in SrCuO2/SrTiO3 superlattices with unit-cell precision. Our results, based on structural investigation by x-ray diffraction and high resolution scanning transmission electron microscopy, demonstrate that the oxygen sublattice can essentially be built by design. In addition, the electronic structure of the chainlike structure, as studied by x-ray absorption spectroscopy, shows the signature for preferential hole occupation in the Cu 3d3z2-r2 orbital, which is different from the planar case.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000323610800023 Publication Date 2013-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (down) 29 Open Access
Notes This work was carried out with financial support from AFOSR and EOARD project (Project No. FA8655-10-1-3077) and also supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. This work was partially funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure No. 312483-ESTEEM2. Advanced Light Source is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Y. T. acknowledges support from the National Science Foundation (DMR-0747896). W. S. was supported by the US DOE, Basic Energy Sciences, Materials Sciences and Engineering Division. D. S. thanks Z. Zhong from Vienna University of Technology, Austria for scientific discussion. ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:109452UA @ admin @ c:irua:109452 Serial 1140
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Author Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G.
Title Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species Type A1 Journal article
Year 2013 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 52 Issue 43 Pages 11360-11363
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888).
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000330735800026 Publication Date 2013-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited (down) 29 Open Access
Notes Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; Approved Most recent IF: 11.994; 2013 IF: 11.336
Call Number UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947 Serial 2266
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Author Filippousi, M.; Papadimitriou, S.A.; Bikiaris, D.N.; Pavlidou, E.; Angelakeris, M.; Zamboulis, D.; Tian, H.; Van Tendeloo, G.
Title Novel coreshell magnetic nanoparticles for Taxol encapsulation in biodegradable and biocompatible block copolymers : preparation, characterization and release properties Type A1 Journal article
Year 2013 Publication International journal of pharmaceutics Abbreviated Journal Int J Pharmaceut
Volume 448 Issue 1 Pages 221-230
Keywords A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)
Abstract Theranostic polymeric nanocarriers loaded with anticancer drug Taxol and superparamagnetic iron oxide nanocrystals have been developed for possible magnetic resonance imaging (MRI) use and cancer therapy. Multifunctional nanocarriers with a coreshell structure have been prepared by coating superparamagnetic Fe3O4 nanoparticles with block copolymer of poly(ethylene glycol)-b-poly(propylene succinate) with variable molecular weights of the hydrophobic block poly(prolylene succinate). The multifunctional polymer nano-vehicles were prepared using a nanoprecipitation method. Scanning transmission electron microscopy revealed the encapsulation of magnetic nanoparticles inside the polymeric matrix. Energy dispersive X-ray spectroscopy and electron energy loss spectroscopy mapping allowed us to determine the presence of the different material ingredients in a quantitative way. The diameter of the nanoparticles is below 250 nm yielding satisfactory encapsulation efficiency. The nanoparticles exhibit a biphasic drug release pattern in vitro over 15 days depending on the molecular weight of the hydrophobic part of the polymer matrix. These new systems where anti-cancer therapeutics like Taxol and iron oxide nanoparticles (IOs) are co-encapsulated into new facile polymeric nanoparticles, could be addressed as potential multifunctional vehicles for simultaneous drug delivery and targeting imaging as well as real time monitoring of therapeutic effects.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000319052000026 Publication Date 2013-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-5173; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.649 Times cited (down) 29 Open Access
Notes Countatoms Approved Most recent IF: 3.649; 2013 IF: 3.785
Call Number UA @ lucian @ c:irua:107348 Serial 2374
Permanent link to this record
 
 
Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
Title Melting of graphene clusters Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 13 Pages 134103-134109
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nanoclusters C-N with N = 2-55. The minimum-energy configurations for different clusters are used as starting configurations for the study of the temperature effects on the bond breaking and rotation in carbon lines (N < 6), carbon rings (5 < N < 19), and graphene nanoflakes. The larger the rings (graphene nanoflakes) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nanoflakes (CNHM) have a larger melting temperature with a much smaller dependence on size. The edges in the graphene nanoflakes exhibit several different metastable configurations (isomers) during heating before melting occurs. DOI: 10.1103/PhysRevB.87.134103
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000317390700001 Publication Date 2013-04-11
Series Editor Series Title Abbreviated Series Title
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 (down) 28 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF Postdoctoral Fellowship No. 299855 (for M.N.-A.), the ESF-EuroGRAPHENE Project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:108467 Serial 1987
Permanent link to this record
 
 
Author Retuerto, M.; Emge, T.; Hadermann, J.; Stephens, P.W.; Li, M.R.; Yin, Z.P.; Croft, M.; Ignatov, A.; Zhang, S.J.; Yuan, Z.; Jin, C.; Simonson, J.W.; Aronson, M.C.; Pan, A.; Basov, D.N.; Kotliar, G.; Greenblatt, M.;
Title Synthesis and properties of charge-ordered thallium halide perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl) : theoretical precursors for superconductivity? Type A1 Journal article
Year 2013 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 25 Issue 20 Pages 4071-4079
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Recently, CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they were optimally doped. The syntheses of these two compounds together with a complete characterization of the samples are reported. CsTlCl3 was obtained as orange crystals in two different polymorphs: a tetragonal phase (I4/m) and a cubic phase (Fm (3) over barm). CsTlF3 was formed as a light brown powder, and also as a double cubic perovskite (Fm (3) over barm). In all three CsTlX3 phases, Tl+ and Tl3+ were located in two different crystallographic positions that accommodate their different bond lengths. In CsTlCl3, some Tl vacancies were found in the Tl+ position. The charge ordering between Tl+ and Tl3+ was confirmed by X-ray absorption and Raman spectroscopy. The Raman spectroscopy of CsTlCl3 at high pressure (58 GPa) did not indicate any phase transition to a possible single Tl2+ state. However, the highly insulating material became less resistive with an increasing high pressure, while it underwent a change in its optical properties, from transparent to deeply opaque red, indicative of a decrease in the magnitude of the band gap. The theoretical design and experimental validation of the existence of CsTlF3 and CsTlCl3 cubic perovskites are the necessary first steps in confirming the theoretical prediction of superconductivity in these materials.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000326209200017 Publication Date 2013-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (down) 28 Open Access
Notes Approved Most recent IF: 9.466; 2013 IF: 8.535
Call Number UA @ lucian @ c:irua:112248 Serial 3434
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Author Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P.
Title Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics Type A1 Journal article
Year 2013 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 5 Issue 3 Pages 837-841
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315079700050 Publication Date 2013-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited (down) 28 Open Access
Notes ; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; Approved Most recent IF: 7.504; 2013 IF: 5.900
Call Number UA @ lucian @ c:irua:128326 Serial 4599
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Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited (down) 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
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Author Komendová, L.; Milošević, M.V.; Peeters, F.M.
Title Soft vortex matter in a type-I/type-II superconducting bilayer Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 9 Pages 094515
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Magnetic flux patterns are known to strongly differ in the intermediate state of type-I and type-II superconductors. Using a type-I/type-II bilayer we demonstrate hybridization of these flux phases into a plethora of unique new ones. Owing to a complicated multibody interaction between individual fluxoids, many different intriguing patterns are possible under applied magnetic field, such as few-vortex clusters, vortex chains, mazes, or labyrinthal structures resembling the phenomena readily encountered in soft-matter physics. However, in our system the patterns are tunable by sample parameters, magnetic field, current, and temperature, which reveals transitions from short-range clustering to long-range ordered phases such as parallel chains, gels, glasses, and crystalline vortex lattices, or phases where lamellar type-I flux domains in one layer serve as a bedding potential for type-II vortices in the other, configurations clearly beyond the soft-matter analogy.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000324689900008 Publication Date 2013-09-24
Series Editor Series Title Abbreviated Series Title
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 (down) 27 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Insightful discussions with Arkady Shanenko and Edith Cristina Euan Diaz are gratefully acknowledged. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:111167 Serial 3050
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Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
Title Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study Type A1 Journal article
Year 2013 Publication Catalysis today Abbreviated Journal Catal Today
Volume 211 Issue Pages 131-136
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000320697800020 Publication Date 2013-03-25
Series Editor Series Title Abbreviated Series Title
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 (down) 27 Open Access
Notes Approved Most recent IF: 4.636; 2013 IF: 3.309
Call Number UA @ lucian @ c:irua:108675 Serial 3500
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Author Terzano, R.; Alfeld, M.; Janssens, K.; Vekemans, B.; Schoonjans, T.; Vincze, L.; Tomasi, N.; Pinton, R.; Cesco, S.
Title Spatially resolved (semi)quantitative determination of iron (Fe) in plants by means of synchrotron micro X-ray fluorescence Type A1 Journal article
Year 2013 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
Volume 405 Issue 10 Pages 3341-3350
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Iron (Fe) is an essential element for plant growth and development; hence determining Fe distribution and concentration inside plant organs at the microscopic level is of great relevance to better understand its metabolism and bioavailability through the food chain. Among the available microanalytical techniques, synchrotron mu-XRF methods can provide a powerful and versatile array of analytical tools to study Fe distribution within plant samples. In the last years, the implementation of new algorithms and detection technologies has opened the way to more accurate (semi)quantitative analyses of complex matrices like plant materials. In this paper, for the first time the distribution of Fe within tomato roots has been imaged and quantified by means of confocal mu-XRF and exploiting a recently developed fundamental parameter-based algorithm. With this approach, Fe concentrations ranging from few hundreds of ppb to several hundreds of ppm can be determined at the microscopic level without cutting sections. Furthermore, Fe (semi)quantitative distribution maps were obtained for the first time by using two opposing detectors to collect simultaneously the XRF radiation emerging from both sides of an intact cucumber leaf.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000316338700033 Publication Date 2013-02-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.431 Times cited (down) 27 Open Access
Notes ; Research was supported by grants from Italian MIUR (FIRB-Programma “Futuro in Ricerca”) and Free University of Bolzano (TN5046 and TN5056). Synchrotron experiments at HASY-LAB were financially supported by the European Community Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). Matthias Alfeld receives a Ph.D. fellowship of the Research Foundation-Flanders (FWO). We thank Karen Rickers-Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ; Approved Most recent IF: 3.431; 2013 IF: 3.578
Call Number UA @ admin @ c:irua:108261 Serial 5838
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Author van Winsen, F.; de Mey, Y.; Lauwers, L.; Van Passel, S.; Vancauteren, M.; Wauters, E.
Title Cognitive mapping : a method to elucidate and present farmers' risk perception Type A1 Journal article
Year 2013 Publication Agricultural Systems Abbreviated Journal Agr Syst
Volume 122 Issue Pages 42-52
Keywords A1 Journal article
Abstract Assumptions on the perceptions of risks, made in agricultural economics literature, are recognized to be over-simplistic. For example most studies assume that risks are independent and static, while in reality most risks are interlinked and dynamic. We propose an alternative method to identify and present risk perception, closer to the actual comprehension of risk by farmers. Grounded theory is used to investigate the perceptions of risk by farmers while avoiding prior assumptions. Main findings are: (i) farmers have difficulty to rank or score probability and impact of risks in a (semi)quantitative manner; (ii) farmers attach different meanings to risk, when the focus shifts between, uncertain event, probability or value at stake and; (iii) farmers perceive risks as being interrelated. Based on these findings, we propose that farmers' risk perception can be best understood as a network of interrelated notions of uncertain events, their effects and uncertain outcomes. Furthermore, cognitive mapping is suggested to elucidate and present these networks. We test cognitive mapping, exploring dairy farmers' risk perception, and demonstrate the appropriateness of this methodology for capturing the complexity and context of perceived risk. Advantages are: (i) the qualitative approach, (ii) the focus on interrelations and context, (iii) the applicability at farm level, (iv) the farmer-driven rather than researcher-driven perspective, and (v) the elucidation of the polyvalent use of the risk concept. Cognitive maps can be used as a communication tool, a risk management tool, and a tool to stimulate bi-directional learning amongst farmers, policy makers, researchers and extension agents. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326910500005 Publication Date 2013-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.571 Times cited (down) 27 Open Access
Notes ; We would like to acknowledge the Agency for Innovation by Science and Technology of the Flemish Government (IWT) for funding this research. Furthermore we would like to thank the anonymous reviewers for their valuable input. ; Approved Most recent IF: 2.571; 2013 IF: 2.453
Call Number UA @ admin @ c:irua:112765 Serial 6168
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Author Lubk, A.; Clark, L.; Guzzinati, G.; Verbeeck, J.
Title Topological analysis of paraxially scattered electron vortex beams Type A1 Journal article
Year 2013 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A
Volume 87 Issue 3 Pages 033834-33838
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We investigate topological aspects of subnanometer electron vortex beams upon elastic propagation through atomic scattering potentials. Two main aspects can be distinguished: (i) significantly reduced delocalization compared to a similar nonvortex beam if the beam centers on an atomic column and (ii) site symmetry dependent splitting of higher-order vortex beams. Furthermore, the results provide insight into the complex vortex line fabric within the elastically scattered wave containing characteristic vortex loops predominantly attached to atomic columns and characteristic twists of vortex lines around atomic columns. DOI: 10.1103/PhysRevA.87.033834
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000316790600011 Publication Date 2013-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited (down) 26 Open Access
Notes Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 2.925; 2013 IF: 2.991
Call Number UA @ lucian @ c:irua:108496 Serial 3673
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Author Alfeld, M.; Siddons, D.P.; Janssens, K.; Dik, J.; Woll, A.; Kirkham, R.; van de Wetering, E.
Title Visualizing the 17th century underpainting in Portrait of an Old Man by Rembrandt van Rijn using synchrotron-based scanning macro-XRF Type A1 Journal article
Year 2013 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 111 Issue 1 Pages 157-164
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In 17th century Old Master Paintings, the underpainting generally refers to the first sketch of a composition. The underpainting is applied to a prepared ground using a monochrome, brown oil paint to roughly indicate light, shade and contours. So far, methods to visualize the underpainting-other than in localized cross-sections-have been very limited. Neither infrared reflectography nor neutron induced autoradiography have proven to be practical, adequate visualization tools. Thus, although of fundamental interest in the understanding of a painting's genesis, the underpainting has virtually escaped all imaging efforts. In this contribution we will show that 17th century underpainting may consist of a highly heterogeneous mixture of pigments, including copper pigments. We suggest that this brown pigment mixture is actually the recycled left-over of a palette scraping. With copper as the heaviest exclusive elemental component, we will hence show in a case study on a Portrait of an Old Man attributed to Rembrandt van Rijn how scanning macro-XRF can be used to efficiently visualize the underpainting below the surface painting and how this information can contribute to the discussion of the painting's authenticity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000316075700019 Publication Date 2012-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.455 Times cited (down) 26 Open Access
Notes ; This research was supported by the SSD programme of BELSPO, Brussels (project S2-ART). The text also presents results of GOA 'XANES meets ELNES' (Research Fund, University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects nos. G.0704.08 and G.01769.09. Further, the research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 226716. M. Alfeld receives a Ph.D. fellowship of the Research Foundation-Flanders (FWO). Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We acknowledge the assistance of C. Ryan, CSIRO Australia, in the preparation of the elemental maps using GeoPIXE and Rene Gerritsen (http://www.renegerritsen.nl) in providing photographs, XRR and IRR of the painting. We thank Sullivan Entertainment for documenting part of this project in their TV documentary 'Out of the shadows'. ; Approved Most recent IF: 1.455; 2013 IF: 1.694
Call Number UA @ admin @ c:irua:108263 Serial 5908
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Author Zhao, C.X.; Xu, W.; Peeters, F.M.
Title Cerenkov emission of terahertz acoustic-phonons from graphene Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 102 Issue 22 Pages 222101-222104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a theoretical study of the electrical generation of acoustic-phonon emission from graphene at room temperature. The drift velocity (v(x)) and temperature of electrons driven by dc electric field (F-x) are determined by solving self-consistently the momentum-and energy-balance equations derived from the Boltzmann equation. We find that in the presence of impurity, acoustic-and optic-phonon scattering, v(x) can be much larger than the longitudinal (v(l)) and transverse (v(t)) sound velocities in graphene even within the linear response regime. As a result, although the acoustic Cerenkov effect cannot be obviously seen in the analytical formulas, the enhanced acoustic-phonon emission can be observed with increasing F-x when v(x) > v(l) and v > v(t). The frequency of acoustic-phonon emission from graphene can be above 10 THz, which is much higher than that generated from conventional semiconductor systems. This study is pertinent to the application of graphene as hypersonic devices such as terahertz sound sources. (C) 2013 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000320621600034 Publication Date 2013-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited (down) 25 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109607 Serial 305
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Author Geurts, R.; Milošević, M.V.; Albino Aguiar, J.; Peeters, F.M.
Title Enhanced stability of vortex-antivortex states in two-component mesoscopic superconductors Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 2 Pages 024501-24508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the Ginzburg-Landau (GL) theory, we calculate the stability of sample symmetry-induced vortex-antivortex molecules in a mesoscopic superconducting bilayer exposed to a homogeneous magnetic field. We demonstrate the conditions under which the two condensates cooperatively broaden the field-temperature stability range of the composite (joint) vortex-antivortex state. In cases when such broadening is not achieved, a reentrance of the vortex-antivortex state is found at lower temperatures. In a large portion of the phase diagram noncomposite states are possible, in which the antivortex is present in only one of the layers. In this case, we demonstrate that the vortex-antivortex molecule in one of the layers can be pinned and enlarged by interaction with a vortex molecule in the other. Using analogies in the respective GL formalisms, we map our findings for the bilayer onto mesoscopic two-band superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313029800003 Publication Date 2013-01-04
Series Editor Series Title Abbreviated Series Title
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 (down) 25 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Brazilian science agencies FACEPE/CNPq under Grant No. APQ-0589-1.05/08 and CNPq under Grant No. 309832/2007-1, and the CNPq-FWO cooperation program under Grant No. 490681/2010-7. M.V.M. acknowledges support from the CAPES-PVE program. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:105925 Serial 1058
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Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions Type A1 Journal article
Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 5 Issue 16 Pages 7250-7255
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We investigate the theoretical possibility of single layer graphene formation on a nickel surface at different substrate temperatures under far-from-equilibrium high precursor flux conditions, employing state-of-the-art hybrid reactive molecular dynamics/uniform acceptance force bias Monte Carlo simulations. It is predicted that under these conditions, the formation of a single layer graphene-like film may proceed through a combined depositionsegregation mechanism on a nickel substrate, rather than by pure surface segregation as is typically observed for metals with high carbon solubility. At 900 K and above, nearly continuous graphene layers are obtained. These simulations suggest that single layer graphene deposition is theoretically possible on Ni under high flux conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000322315600019 Publication Date 2013-04-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited (down) 25 Open Access
Notes Approved Most recent IF: 7.367; 2013 IF: 6.739
Call Number UA @ lucian @ c:irua:109249 Serial 1264
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Author Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M.
Title Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons Type A1 Journal article
Year 2013 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 177 Issue Pages 66-74
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000322293000012 Publication Date 2013-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited (down) 25 Open Access
Notes 262348 ESMI; COST Action MP1103 Approved Most recent IF: 3.615; 2013 IF: 3.209
Call Number UA @ lucian @ c:irua:109758 Serial 1532
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Author Zhang, S.H.; Xu, W.; Badalyan, S.M.; Peeters, F.M.
Title Piezoelectric surface acoustical phonon limited mobility of electrons in graphene on a GaAs substrate Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 7 Pages 075443-75445
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the mobility of Dirac fermions in monolayer graphene on a GaAs substrate, limited by the combined action of the extrinsic potential of piezoelectric surface acoustical phonons of GaAs (PA) and of the intrinsic deformation potential of acoustical phonons in graphene (DA). In the high-temperature (T) regime, the momentum relaxation rate exhibits the same linear dependence on T but different dependencies on the carrier density n, corresponding to the mobility mu proportional to 1 root n and 1/n, respectively for the PA and DA scattering mechanisms. In the low-T Bloch-Gruneisen regime, the mobility shows the same square-root density dependence mu proportional to root n, but different temperature dependencies mu proportional to T-3 and T-4, respectively for PA and DA phonon scattering. DOI: 10.1103/PhysRevB.87.075443
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315375200008 Publication Date 2013-02-27
Series Editor Series Title Abbreviated Series Title
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 (down) 25 Open Access
Notes ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:107655 Serial 2622
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Author Bals, S.; Van Aert, S.; Van Tendeloo, G.
Title High resolution electron tomography Type A1 Journal article
Year 2013 Publication Current opinion in solid state and materials science Abbreviated Journal Curr Opin Solid St M
Volume 17 Issue 3 Pages 107-114
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Reaching atomic resolution in 3D has been the ultimate goal in the field of electron tomography for many years. Significant progress, both on the theoretical as well as the experimental side has recently resulted in several exciting examples demonstrating the ability to visualise atoms in 3D. In this paper, we will review the different steps that have pushed the resolution in 3D to the atomic level. A broad range of methodologies and practical examples together with their impact on materials science will be discussed. Finally, we will provide an outlook and will describe future challenges in the field of high resolution electron tomography.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000323869800003 Publication Date 2013-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-0286; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.938 Times cited (down) 24 Open Access
Notes Fwo; 312483 Esteem; Countatoms; Approved Most recent IF: 6.938; 2013 IF: 7.167
Call Number UA @ lucian @ c:irua:109454 Serial 1457
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Author Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A.
Title New mechanism for oxidation of native silicon oxide Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 19 Pages 9819-9825
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000319649100032 Publication Date 2013-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited (down) 24 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:107989 Serial 2321
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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.
Title Dynamics of self-organized driven particles with competing range interaction Type A1 Journal article
Year 2013 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 88 Issue 2 Pages 022914-22917
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Nonequilibrium self-organized patterns formed by particles interacting through competing range interaction are driven over a substrate by an external force. We show that, with increasing driving force, the preexisted static patterns evolve into dynamic patterns either via disordered phase or depinned patterns or via the formation of nonequilibrium stripes. Strikingly, the stripes are formed either in the direction of the driving force or in the transverse direction, depending on the pinning strength. The revealed dynamical patterns are summarized in a dynamical phase diagram.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000323333000014 Publication Date 2013-08-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited (down) 23 Open Access
Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.366; 2013 IF: 2.326
Call Number UA @ lucian @ c:irua:110743 Serial 783
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Author Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Turner, S.; Sada, C.; Depero, L.E.; Van Tendeloo, G.; Barreca, D.
Title Fluorine doped Fe2O3 nanostructures by a one-pot plasma-assisted strategy Type A1 Journal article
Year 2013 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 3 Issue 45 Pages 23762-23768
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The present work reports on the synthesis of fluorine doped Fe2O3 nanomaterials by a single-step plasma enhanced-chemical vapor deposition (PE-CVD) strategy. In particular, Fe(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) was used as molecular source for both Fe and F in Ar/O2 plasmas. The structure, morphology and chemical composition of the synthesized nanosystems were thoroughly analyzed by two-dimensional X-ray diffraction (XRD2), field emission-scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS) and transmission electron microscopy (TEM). A suitable choice of processing parameters enabled the selective formation of α-Fe2O3 nanomaterials, characterized by an homogeneous F doping, even at 100 °C. Interestingly, a simultaneous control of the system nanoscale organization and fluorine content could be achieved by varying the sole growth temperature. The tailored properties of the resulting materials can be favourably exploited for several technological applications, ranging from photocatalysis, to photoelectrochemical cells and gas sensing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326395800141 Publication Date 2013-10-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited (down) 23 Open Access
Notes Fwo Approved Most recent IF: 3.108; 2013 IF: 3.708
Call Number UA @ lucian @ c:irua:111091 Serial 1237
Permanent link to this record