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Author | Bal, K.M.; Neyts, E.C. | ||||
Title | On the time scale associated with Monte Carlo simulations | Type | A1 Journal article | ||
Year | 2014 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 141 | Issue | 20 | Pages | 204104 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000345641400005 | Publication Date | 2014-11-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606;1089-7690; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 2.965; 2014 IF: 2.952 | |||
Call Number | UA @ lucian @ c:irua:120667 | Serial | 2459 | ||
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Author | Herrebout, D.; Bogaerts, A.; Gijbels, R.; Goedheer, W.J.; Vanhulsel, A. | ||||
Title | A one-dimensional fluid model for an acetylene rf discharge: a study of the plasma chemistry | Type | A1 Journal article | ||
Year | 2003 | Publication | IEEE transactions on plasma science | Abbreviated Journal | Ieee T Plasma Sci |
Volume | 31 | Issue | Pages | 659-664 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000184833400022 | Publication Date | 2003-08-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0093-3813; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.052 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 1.052; 2003 IF: 0.840 | |||
Call Number | UA @ lucian @ c:irua:44021 | Serial | 2462 | ||
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Author | Heidari Mezerji, H.; van den Broek, W.; Bals, S. | ||||
Title | A practical method to determine the effective resolution in incoherent experimental electron tomography | Type | A1 Journal article | ||
Year | 2011 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 111 | Issue | 5 | Pages | 330-336 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
Abstract | It is not straightforward to determine resolution for a 3D reconstruction when performing an electron tomography experiment. Different contributions such as missing wedge and misalignment add up and often influence the final resolution in an anisotropic manner. The conventional resolution measures can not be used for all of the reconstruction techniques, especially for iterative techniques which are more commonly used for electron tomography in materials science. Here we define a quantitative resolution measure that determines the resolution in three orthogonal directions of the reconstruction. As an application we use this measure to determine the optimum number of simultaneous iterative reconstruction technique (SIRT) iterations to reconstruct the gold nanoparticles, based on a high angle annular dark field STEM (HAADF-STEM) tilt series. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000289396900005 | Publication Date | 2011-01-24 | |
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 | 26 | Open Access | |
Notes | Esteem 026019; Fwo | Approved | Most recent IF: 2.843; 2011 IF: 2.471 | ||
Call Number | UA @ lucian @ c:irua:87606 | Serial | 2688 | ||
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Author | Liu, S.; Rao, J.; Sui, X.; Cool, P.; Vansant, E.F.; Van Tendeloo, G.; Cheng, X. | ||||
Title | Preparation of hollow silica spheres with different mesostructures | Type | A1 Journal article | ||
Year | 2008 | Publication | Journal of non-crystalline solids | Abbreviated Journal | J Non-Cryst Solids |
Volume | 354 | Issue | 10/11 | Pages | 826-830 |
Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) | ||||
Abstract | Hollow silica spheres were quickly synthesized by an octylamine (OA) templating method using tetraethyl orthosilicate (TEOS) as the silica source. N2-sorption results indicate that the hollow spheres have high surface areas and pore volumes. XRD and TEM measurements reveal that the structure of the hollow spheres depends on the amount of TEOS used in the synthesis. When low amount of TEOS is added, the template-containing precursor spheres depict an XRD pattern with two peaks, which can be indexed to a lamellar phase. After the removal of the template, the obtained hollow spheres show no diffraction peaks in the XRD pattern, suggesting that the nanopores in the silica shells are disordered. If increasing the amount of TEOS, either the uncalcined or the calcined sample gives an XRD pattern with a single diffraction peak. The mesostructure of these hollow silica spheres is typically as HMS materials. TGA analyses suggest that the interaction between the silica species and surfactant is stronger in the latter case. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000253216700003 | Publication Date | 2007-09-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3093; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.124 | Times cited | 26 | Open Access | |
Notes | Gao | Approved | Most recent IF: 2.124; 2008 IF: 1.449 | ||
Call Number | UA @ lucian @ c:irua:72018 | Serial | 2703 | ||
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Author | Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M. | ||||
Title | A protecting group approach toward synthesis of Au-silica Janus nanostars | Type | A1 Journal article | ||
Year | 2014 | Publication | Chemical communications | Abbreviated Journal | Chem Commun |
Volume | 50 | Issue | 1 | Pages | 79-81 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000327606000017 | Publication Date | 2013-10-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1359-7345;1364-548X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.319 | Times cited | 26 | Open Access | OpenAccess |
Notes | 262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 6.319; 2014 IF: 6.834 | ||
Call Number | UA @ lucian @ c:irua:112774 | Serial | 2732 | ||
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Author | Földi, P.; Benedict, M.G.; Kalman, O.; Peeters, F.M. | ||||
Title | Quantum rings with time-dependent spin-orbit coupling: Spintronic Rabi oscillations and conductance properties | Type | A1 Journal article | ||
Year | 2009 | Publication | Physical review : B : solid state | Abbreviated Journal | Phys Rev B |
Volume | 80 | Issue | 16 | Pages | 165303,1-165303,10 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The strength of the (Rashba-type) spin-orbit coupling in mesoscopic semiconductor rings can be tuned with external gate voltages. Here we consider the case of a periodically changing spin-orbit interaction strength in time as induced by sinusoidal voltages. In a closed one dimensional quantum ring with weak spin-orbit coupling, Rabi oscillations are shown to appear. We find that the time evolution of initially localized wave packets exhibits a series of collapse and revival phenomena. Partial revivalsthat are typical in nonlinear systemsare shown to correspond to superpositions of states localized at different spatial positions along the ring. These spintronic Schrödinger-cat states appear periodically, and similarly to their counterparts in other physical systems, they are found to be sensitive to disturbances caused by the environment. The time-dependent spin transport problem, when leads are attached to the ring, is also solved. We show that the sideband currents induced by the oscillating spin-orbit interaction strength can become the dominant output channel, even in the presence of moderate thermal fluctuations and random scattering events. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000271352100078 | Publication Date | 2009-10-12 | |
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 | 26 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2009 IF: 3.475 | |||
Call Number | UA @ lucian @ c:irua:80002 | Serial | 2784 | ||
Permanent link to this record | |||||
Author | Molnar, B.; Vasilopoulos, P.; Peeters, F.M. | ||||
Title | Spin-dependent transmission through a chain of rings : influence of a periodically modulated spin-orbit interaction strength or ring radius | Type | A1 Journal article | ||
Year | 2004 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 85 | Issue | 4 | Pages | 612-614 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction of strength alpha. For a single ring, the transmission and reflection coefficients are obtained analytically and from them the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. We show that due to destructive spin interferences, the chain can be totally opaque for certain ranges of k, the width of which depends on the value of alpha. A periodic modulation of the strength alpha or of the ring radius widens the gaps considerably and produces a nearly binary conductance output. (C) 2004 American Institute of Physics. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000222855400034 | Publication Date | 2004-07-23 | |
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 | 26 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2004 IF: 4.308 | |||
Call Number | UA @ lucian @ c:irua:94799 | Serial | 3085 | ||
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Author | Papp, G.; Borza, S.; Peeters, F.M. | ||||
Title | Spin transport in a Mn-doped ZnSe asymmetric tunnel structure | Type | A1 Journal article | ||
Year | 2005 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 97 | Issue | 11 | Pages | 113901-113905 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000229804700072 | Publication Date | 2005-05-20 | |
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 | 26 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2005 IF: 2.498 | |||
Call Number | UA @ lucian @ c:irua:102728 | Serial | 3102 | ||
Permanent link to this record | |||||
Author | Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Pardo, J.A.; Santiso, J. | ||||
Title | Structure and microstructure of epitaxial Sr4Fe6O13-\delta films on SrTiO3 | Type | A1 Journal article | ||
Year | 2004 | Publication | Chemistry and materials | Abbreviated Journal | Chem Mater |
Volume | 16 | Issue | Pages | 2578-2584 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The crystal structure and the microstructure of epitaxial Sr4Fe6O13+/-delta thin films grown on a single-crystal SrTiO3 substrate by PLD have been investigated. A combination of electron diffraction and high-resolution microscopy allows us to refine the structure and to identify an incommensurate modulation in the Sr4Fe6O13+/-delta films. The incommensurate structure (q = alphaa(m)* approximate to 0.39alpha(m)*, superspace group Xmmm(alpha00)0s0) can be interpreted as an oxygen-deficient modification in the Fe2O2.5 double layers. Moreover, it is shown that the experimentally determined a component of the modulation can be used consistently to estimate the local oxygen content in the Sr4Fe6O13+/-delta films. The compound composition can therefore be described as Sr4Fe6O12+2alpha and the value alpha = 0.39 corresponds to a Sr4Fe6O12.78 composition. The misfit stress along the Sr4Fe6O13+/-delta/SrTiO3 interface is accommodated via both elastic deformation and inelastic mechanisms (misfit dislocations and 90degrees rotation twins). The present results also suggest the existence of SrFeO3 perovskite in the Sr4Fe6O13+/-delta films. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000222252300011 | Publication Date | 2004-06-22 | |
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 | 26 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2004 IF: 4.103 | |||
Call Number | UA @ lucian @ c:irua:54770 | Serial | 3286 | ||
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Author | Suarez-Martinez, I.; Ewels, C.P.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Felten, A.; Pireaux, J.-J.; Ghijsen, J.; Bittencourt, C. | ||||
Title | Study of the interface between rhodium and carbon nanotubes | Type | A1 Journal article | ||
Year | 2010 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
Volume | 4 | Issue | 3 | Pages | 1680-1686 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | X-ray photoelectron spectroscopy at 3.5 keV photon energy, in combination with high-resolution transmission electron microscopy, is used to follow the formation of the interface between rhodium and carbon nanotubes. Rh nucleates at defect sites, whether initially present or induced by oxygen-plasma treatment. More uniform Rh cluster dispersion is observed on plasma-treated CNTs. Experimental results are compared to DFT calculations of small Rh clusters on pristine and defective graphene. While Rh interacts as strongly with the carbon as Ti, it is less sensitive to the presence of oxygen, suggesting it as a good candidate for nanotube contacts. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000275858200053 | Publication Date | 2010-02-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1936-0851;1936-086X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 13.942 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 13.942; 2010 IF: 9.865 | |||
Call Number | UA @ lucian @ c:irua:82440 | Serial | 3337 | ||
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Author | Chen, Y.; Shanenko, A.A.; Perali, A.; Peeters, F.M. | ||||
Title | Superconducting nanofilms : molecule-like pairing induced by quantum confinement | Type | A1 Journal article | ||
Year | 2012 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 24 | Issue | 18 | Pages | 185701-185701,8 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Quantum confinement of the perpendicular motion of electrons in single-crystalline metallic superconducting nanofilms splits the conduction band into a series of single-electron subbands. A distinctive feature of such a nanoscale multi-band superconductor is that the energetic position of each subband can vary significantly with changing nanofilm thickness, substrate material, protective cover and other details of the fabrication process. It can occur that the bottom of one of the available subbands is situated in the vicinity of the Fermi level. We demonstrate that the character of the superconducting pairing in such a subband changes dramatically and exhibits a clear molecule-like trend, which is very similar to the well-known crossover from the Bardeen-Cooper-Schrieffer regime to Bose-Einstein condensation (BCS-BEC) observed in trapped ultracold fermions. For Pb nanofilms with thicknesses of 4 and 5 monolayers (MLs) this will lead to a spectacular scenario: up to half of all the Cooper pairs nearly collapse, shrinking in the lateral size (parallel to the nanofilm) down to a few nanometers. As a result, the superconducting condensate will be a coherent mixture of almost molecule-like fermionic pairs with ordinary, extended Cooper pairs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000303500900018 | Publication Date | 2012-04-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-8984;1361-648X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 26 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl). AAS thanks A Bianconi, M D Croitoru and A V Vagov for useful discussions. AAS acknowledges the hospitality and fruitful interactions with G C Strinati, P Pieri and D Neilson during his visit to the University of Camerino, supported by the School of Advanced Studies of the University of Camerino. ; | Approved | Most recent IF: 2.649; 2012 IF: 2.355 | ||
Call Number | UA @ lucian @ c:irua:98223 | Serial | 3357 | ||
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Author | Yang, Z.Q.; Verbeeck, J.; Schryvers, D.; Tarcea, N.; Popp, J.; Rösler, W. | ||||
Title | TEM and Raman characterisation of diamond micro- and nanostructures in carbon spherules from upper soils | Type | A1 Journal article | ||
Year | 2008 | Publication | Diamond and related materials | Abbreviated Journal | Diam Relat Mater |
Volume | 17 | Issue | 6 | Pages | 937-943 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Carbonaceous spherules of millimeter size diameter and found in the upper soils throughout Europe are investigated by TEM, including SAED, HRTEM and EELS, and Raman spectroscopy. The spherules consist primarily of carbon and have an open cell-like internal structure. Most of the carbon appears in an amorphous state, but different morphologies of nano- and microdiamond particles have also been discovered including flake shapes. The latter observation, together with the original findings of some of these spherules in crater-like structures in the landscape and including severely deformed rocks with some spherules being embedded in the fused crust of excavated rocks, points towards unique conditions of origin for these spherules and particles, possibly of exogenic origin. (C) 2008 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000256940800005 | Publication Date | 2008-02-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0925-9635; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.561 | Times cited | 26 | Open Access | |
Notes | GAO project | Approved | Most recent IF: 2.561; 2008 IF: 2.092 | ||
Call Number | UA @ lucian @ c:irua:68518 | Serial | 3474 | ||
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Author | Bals, S.; Rijnders, G.; Blank, D.H.A.; Van Tendeloo, G. | ||||
Title | TEM of ultra-thin DyBa2Cu3O7-x films deposited on TiO2 terminated SrTiO3 | Type | A1 Journal article | ||
Year | 2001 | Publication | Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 355 | Issue | 3/4 | Pages | 225-230 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Using pulsed laser deposition ultra-thin DyBa2Cu3O7-x films were deposited on a single terminated (0 0 1) SrTiOr(3) substrate. The initial growth was studied by high-resolution electron microscopy. Two different types of interface arrangements occur and were determined as: bulk-SrO-TiO2-BaO-CuO-BaO-CuO2-Dy-CuO2-BaO bulk and bulk-SrO-TiO2-BaO-CuO2-Dy-CuO2-BaO-CuO-BaO-bulk This variable growth sequence causes structural shifts, resulting in antiphase boundaries with displacement vector R = [0 0 1/3]. as well as local chemical variations. (C) 2001 Elsevier Science B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000169479500006 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-4534; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.404 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 1.404; 2001 IF: 0.806 | |||
Call Number | UA @ lucian @ c:irua:54793 | Serial | 3484 | ||
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Author | Kao, K.-H.; Verhulst, A.S.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; De Meyer, K. | ||||
Title | Tensile strained Ge tunnel field-effect transistors: k\cdot p material modeling and numerical device simulation | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 115 | Issue | 4 | Pages | 044505-44508 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Group IV based tunnel field-effect transistors generally show lower on-current than III-V based devices because of the weaker phonon-assisted tunneling transitions in the group IV indirect bandgap materials. Direct tunneling in Ge, however, can be enhanced by strain engineering. In this work, we use a 30-band k.p method to calculate the band structure of biaxial tensile strained Ge and then extract the bandgaps and effective masses at Gamma and L symmetry points in k-space, from which the parameters for the direct and indirect band-to-band tunneling (BTBT) models are determined. While transitions from the heavy and light hole valence bands to the conduction band edge at the L point are always bridged by phonon scattering, we highlight a new finding that only the light-holelike valence band is strongly coupling to the conduction band at the Gamma point even in the presence of strain based on the 30-band k.p analysis. By utilizing a Technology Computer Aided Design simulator equipped with the calculated band-to-band tunneling BTBT models, the electrical characteristics of tensile strained Ge point and line tunneling devices are self-consistently computed considering multiple dynamic nonlocal tunnel paths. The influence of field-induced quantum confinement on the tunneling onset is included. Our simulation predicts that an on-current up to 160 (260) mu A/mu m can be achieved along with on/off ratio > 10(6) for V-DD = 0.5V by the n-type (p-type) line tunneling device made of 2.5% biaxial tensile strained Ge. (C) 2014 AIP Publishing LLC. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000331210800113 | Publication Date | 2014-01-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979;1089-7550; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 26 | Open Access | |
Notes | ; Authors would like to thank Dr. Mohammad Ali Pourghaderi for useful discussions on the nonparabolicity. Authors would also like to thank Professor Eddy Simoen and Dr. Yosuke Shimura for useful discussions about the validity of modeled bandgaps and effective masses. This work was also supported by IMEC's Industrial Affiliation Program. ; | Approved | Most recent IF: 2.068; 2014 IF: 2.183 | ||
Call Number | UA @ lucian @ c:irua:115800 | Serial | 3505 | ||
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Author | Morozov, V.A.; Arakcheeva, A.V.; Pattison, P.; Meert, K.W.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J. | ||||
Title | KEu(MoO4)2 : polymorphism, structures, and luminescent properties | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 5519-5530 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this paper, with the example of two different polymorphs of KEu(MoO4)2, the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A′,A″)n[(B′,B″)O4]m is investigated. The polymorphs were synthesized using a solid state method. The study confirmed the existence of only two polymorphic forms at annealing temperature range 9231203 K and ambient pressure: a low temperature anorthic α-phase and a monoclinic high temperature β-phase with an incommensurately modulated structure. The structures of both polymorphs were solved using transmission electron microscopy and refined from synchrotron powder X-ray diffraction data. The monoclinic β-KEu(MoO4)2 has a (3+1)-dimensional incommensurately modulated structure (superspace group I2/b(αβ0)00, a = 5.52645(4) Å, b = 5.28277(4) Å, c = 11.73797(8) Å, γ = 91.2189(4)o, q = 0.56821(2)a*0.12388(3)b*), whereas the anorthic α-phase is (3+1)-dimensional commensurately modulated (superspace group I1̅(αβγ)0, a = 5.58727(22) Å, b = 5.29188(18)Å, c = 11.7120(4) Å, α = 90.485(3)o, β = 88.074(3)o, γ = 91.0270(23)o, q = 1/2a* + 1/2c*). In both cases the modulation arises due to Eu/K cation ordering at the A site: the formation of a 2-dimensional Eu3+ network is characteristic for the α-phase, while a 3-dimensional Eu3+-framework is observed for the β-phase structure. The luminescent properties of KEu(MoO4)2 samples prepared under different annealing conditions were measured, and the relation between their optical properties and their structures is discussed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000360323700011 | Publication Date | 2015-07-29 | |
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 | 26 | Open Access | |
Notes | 278510 Vortex; Fwo G039211n; G004413n ECASJO_; | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | ||
Call Number | c:irua:127244 | Serial | 3537 | ||
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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 | ||||
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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 | 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 | De Keukeleere, K.; Cayado, P.; Meledin, A.; Vallès, F.; De Roo, J.; Rijckaert, H.; Pollefeyt, G.; Bruneel, E.; Palau, A.; Coll, M.; Ricart, S.; Van Tendeloo, G.; Puig, T.; Obradors, X.; Van Driessche, I. | ||||
Title | Superconducting YBa2Cu3O7-δNanocomposites Using Preformed ZrO2Nanocrystals: Growth Mechanisms and Vortex Pinning Properties | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced Electronic Materials | Abbreviated Journal | |
Volume | 2 | Issue | 2 | Pages | 1600161 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Although high temperature superconductors are promising for power applications, the production of low-cost coated conductors with high current densities—at high magnetic fields—remains challenging. A superior superconducting YBa2Cu3O7–δ nanocomposite is fabricated via chemical solution deposition (CSD) using preformed nanocrystals (NCs). Preformed, colloidally stable ZrO2 NCs are added to the trifluoroacetic acid based precursor solution and the NCs' stability is confirmed up to 50 mol% for at least 2.5 months. These NCs tend to disrupt the epitaxial growth of YBa2Cu3O7–δ, unless a thin seed layer is applied. A 10 mol% ZrO2 NC addition proved to be optimal, yielding a critical current density JC of 5 MA cm−2 at 77 K in self-field. Importantly, this new approach results in a smaller magnetic field decay of JC(H//c) for the nanocomposite compared to a pristine film. Furthermore, microstructural analysis of the YBa2Cu3O7–δ nanocomposite films reveals that different strain generation mechanisms may occur compared to the spontaneous segregation approach. Yet, the generated nanostrain in the YBa2Cu3O7–δ nanocomposite results in an improvement of the superconducting properties similar to the spontaneous segregation approach. This new approach, using preformed NCs in CSD coatings, can be of great potential for high magnetic field applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000386624100003 | Publication Date | 2016-09-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2199160X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 26 | Open Access | ||
Notes | This work was financially supported by a BOF research fund of Ghent University (BOF11/DOC/286), FWO Flanders (F08512), and Eurotapes, a collaborative project funded by the European Community’s Seven Framework Program (EU-FP7 NMP-LA-2012-280432). We also acknowledge MINECO and FEDER funds for MAT2014-51778-C2-1-R and the Center of Excellence award Severo Ochoa SEV-2015-0496, and SGR753 from the Generalitat of Catalunya. MC acknowledges RyC contract 2013-12448 | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @ c:irua:135171 | Serial | 4118 | ||
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Author | Dharanipragada, N.V.R.A.; Meledina, M.; Galvita, V.V.; Poelman, H.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. | ||||
Title | Deactivation study of Fe2O3-CeO2 during redox cycles for CO production from CO2 | Type | A1 Journal article | ||
Year | 2016 | Publication | Industrial and engineering chemistry research | Abbreviated Journal | Ind Eng Chem Res |
Volume | 55 | Issue | 55 | Pages | 5911-5922 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Deactivation was investigated in Fe2O3-CeO2 oxygen storage materials during repeated H-2-reduction and CO2-reoxidation. In situ XRD, XAS, and TEM were used to identify phases, crystallite sizes, and morphological changes upon cycling operation. The effect of redox cycling was investigated both in Fe-rich (80 wt % Fe2O3-CeO2) and Ce-rich (10 wt %Fe2O3-CeO2) materials. The former consisted of 100 nm Fe2O3 particles decorated with 5-10 nm Ce1-xFexO2-x. The latter presented CeO2 with incorporated Fe, i.e. a solid solution of Ce1-xFexO2-x, as the main oxygen carrier. By modeling the EXAFS Ce-K signal for as-prepared 10 wt %Fe2O3-CeO2, the amount of Fe in CeO2 was determined as 21 mol %, corresponding to 86% of the total iron content. Sintering and solid solid transformations, the latter including both new phase formation and element segregation, were identified as deactivation pathways upon redox cycling. In Ce-rich material, perovskite (CeFeO3) was identified by XRD. This phase remained inert during reduction and reoxidation, resulting in an overall lower oxygen storage capacity. Further, Fe segregated from the solid solution, thereby decreasing its reducibility. In addition, an increase in crystallite size occurred for all phases. In Fe-rich material, sintering is the main deactivation pathway, although Fe segregation from the solid solution and perovskite formation cannot be excluded. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000376825300013 | Publication Date | 2016-04-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0888-5885; 1520-5045 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 2.843 | |||
Call Number | UA @ lucian @ c:irua:134214 | Serial | 4158 | ||
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Author | Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M. | ||||
Title | Energy levels of hybrid monolayer-bilayer graphene quantum dots | Type | A1 Journal article | ||
Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 93 | Issue | 93 | Pages | 165410 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000373572700004 | Publication Date | 2016-04-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950;2469-9969; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 26 | Open Access | |
Notes | ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:133261 | Serial | 4174 | ||
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Author | Vermeylen, S.; De Waele, J.; Vanuytsel, S.; De Backer, J.; Van der Paal, J.; Ramakers, M.; Leyssens, K.; Marcq, E.; Van Audenaerde, J.; L. J. Smits, E.; Dewilde, S.; Bogaerts, A. | ||||
Title | Cold atmospheric plasma treatment of melanoma and glioblastoma cancer cells | Type | A1 Journal article | ||
Year | 2016 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 13 | Issue | 13 | Pages | 1195-1205 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this paper, two types of melanoma and glioblastoma cancer cell lines are treated with cold atmospheric plasma to assess the effect of several parameters on the cell viability. The cell viability decreases with treatment duration and time until analysis in all cell lines with varying sensitivity. The majority of dead cells stains both AnnexinV (AnnV) and propidium iodide, indicating that the plasma-treated non-viable cells are mostly late apoptotic or necrotic. Genetic mutations might be involved in the response to plasma. Comparing the effects of two gas mixtures, as well as indirect plasma-activated medium versus direct treatment, gives different results per cell line. In conclusion, this study confirms the potential of plasma for cancer therapy and emphasizes the influence of experimental parameters on therapeutic outcome. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000393131600007 | Publication Date | 2016-10-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 26 | Open Access | |
Notes | The authors acknowledge the University of Antwerp for providing research funds. The authors are very grateful to V. Schulz-von der Gathen and J. Benedikt (Bochum University) for providing the COST RF plasma jet. The authors would also like to thank Eva Santermans (University of Hasselt) for statistical advice. J. De Waele, J. Van Audenaerde and J. Van der Paal are research fellows of the Research Foundation Flanders (fellowship numbers: 1121016N, 1S32316N and 11U5416N), E. Marcq of Flanders Innovation & Entrepreneurship (fellowship number: 141433). | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @ c:irua:138722 | Serial | 4328 | ||
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Author | Shirazi, M.; Neyts, E.C.; Bogaerts, A. | ||||
Title | DFT study of Ni-catalyzed plasma dry reforming of methane | Type | A1 Journal article | ||
Year | 2017 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 205 | Issue | 205 | Pages | 605-614 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000393931000063 | Publication Date | 2017-01-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 26 | Open Access | OpenAccess |
Notes | Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish | Approved | Most recent IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139514 | Serial | 4343 | ||
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Author | Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J. | ||||
Title | PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation | Type | A1 Journal article | ||
Year | 2016 | Publication | Journal of materials chemistry A : materials for energy and sustainability | Abbreviated Journal | J Mater Chem A |
Volume | 4 | Issue | 4 | Pages | 12790-12798 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly. | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000382015100012 | Publication Date | 2016-07-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.867 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 8.867 | |||
Call Number | UA @ lucian @ c:irua:137188 | Serial | 4395 | ||
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Author | Zhong, Z.; Goris, B.; Schoenmakers, R.; Bals, S.; Batenburg, K.J. | ||||
Title | A bimodal tomographic reconstruction technique combining EDS-STEM and HAADF-STEM | Type | A1 Journal article | ||
Year | 2017 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 174 | Issue | 174 | Pages | 35-45 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A three-dimensional (3D) chemical characterization of nanomaterials can be obtained using tomography based on high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) or energy dispersive X-ray spectroscopy (EDS) STEM. These two complementary techniques have both advantages and disadvantages. The Z-contrast images have good image quality but lack robustness in the compositional analysis, while the elemental maps give more element-specific information, but at a low signal-to-noise ratio and a longer exposure time. Our aim is to combine these two types of complementary information in one single tomographic reconstruction process. Therefore, an imaging model is proposed combining both HAADF-STEM and EDS-STEM. Based on this model, the elemental distributions can be reconstructed using both types of information simultaneously during the reconstruction process. The performance of the new technique is evaluated using simulated data and real experimental data. The results demonstrate that combining two imaging modalities leads to tomographic reconstructions with suppressed noise and enhanced contrast. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000403342200005 | Publication Date | 2016-12-11 | |
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 | 26 | Open Access | OpenAccess |
Notes | This research is supported by the Dutch Technology Foundation STW (http://www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. It is also supported by the Flemish research foundation (FWO Vlaanderen) by project funding (G038116N) and a postdoctoral research grant to B.G. Funding from the European Research Council (Starting Grant No. COLOURATOMS 335078) is acknowledged by S.B. The authors would like to thank Dr. Bernd Rieger and Dr. Richard Aveyard for useful discussions, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. We also acknowledge COST Action MP1207 for networking support. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 2.843 | ||
Call Number | EMAT @ emat @ c:irua:141719UA @ admin @ c:irua:141719 | Serial | 4484 | ||
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Author | Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J. | ||||
Title | Synthesis of MAX Phases in the Zr-Ti-Al-C System | Type | A1 Journal article | ||
Year | 2017 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
Volume | 56 | Issue | 56 | Pages | 3489-3498 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000397171100045 | Publication Date | 2017-03-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.857 | Times cited | 26 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ; | Approved | Most recent IF: 4.857 | ||
Call Number | EMAT @ emat @ c:irua:141794 | Serial | 4491 | ||
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Author | Bleiner, D.; Belloni, F.; Doria, D.; Lorusso, A.; Nassisi, V. | ||||
Title | Overcoming pulse mixing and signal tailing in laser ablation inductively coupled plasma mass spectrometry depth profiling | Type | A1 Journal article | ||
Year | 2005 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The laser ablation-induced plasma was used as a composition-con trolled source for ion implantation in Si crystals. Then, laser ablation in combination with inductively coupled plasma mass spectrometry was used for the elemental depth profiling of the implanted samples. Monte Carlo simulations permitted us to conclude that a depth resolution of tens of nm would be necessary to define the shape of the implantation profiles, as is obtained using XPS and RBS, whereas a hundred nm depth resolution is sufficient to determine the total implanted dose. The detection power of LA-ICP-MS would routinely allow rapid analytical control on the trace level implanted dose. Nevertheless, this technique is limited in terms of depth profiling resolution due to pulse mixing and signal tailing induced during the aerosol transport. Raw signal processing procedures were developed for the minimization of shapeline dispersion, deconvolution of pulse mixing and more appropriate assessment of the implanted profiles. Shapeline dispersion could be corrected for by determining the signal waning constant and implementing this information for a non-affine alibi transformation of the LA-ICP-MS signal traces. Pulse mixing deconvolution was attained with an algorithm that considered accumulated signal intensity due to pulse-on-pulse stacking, i.e., the latest pulse on top of all antecedent individual pulses' exponential tails proportionally. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000233958900018 | Publication Date | 2005-10-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0267-9477 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.379 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 3.379; 2005 IF: 3.640 | |||
Call Number | UA @ lucian @ c:irua:99278 | Serial | 4525 | ||
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Author | Gillis, S.; Jaykka, J.; Milošević, M.V. | ||||
Title | Vortex states in mesoscopic three-band superconductors | Type | A1 Journal article | ||
Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 89 | Issue | 2 | Pages | 024512 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000333653800001 | Publication Date | 2014-01-24 | |
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 | 26 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO). Critical remarks of Lucia Komendova are gratefully acknowledged. ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
Call Number | UA @ lucian @ c:irua:128885 | Serial | 4611 | ||
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Author | Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kolev, S.; Snoeckx, R.; Sun, S.; Trenchev, G.; Van Laer, K.; Wang, W. | ||||
Title | CO2conversion by plasma technology: insights from modeling the plasma chemistry and plasma reactor design | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 063001 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In recent years there has been growing interest in the use of plasma technology for CO2 conversion. To improve this application, a good insight into the underlying mechanisms is of great importance. This can be obtained from modeling the detailed plasma chemistry in order to understand the chemical reaction pathways leading to CO2 conversion (either in pure form or mixed with another gas). Moreover, in practice, several plasma reactor types are being investigated for CO2 conversion, so in addition it is essential to be able to model these reactor geometries so that their design can be improved, and the most energy efficient CO2 conversion can be achieved. Modeling the detailed plasma chemistry of CO2 conversion in complex reactors is, however, very time-consuming. This problem can be overcome by using a combination of two different types of model: 0D chemical reaction kinetics models are very suitable for describing the detailed plasma chemistry, while the characteristic features of different reactor geometries can be studied by 2D or 3D fluid models. In the first instance the latter can be developed in argon or helium with a simple chemistry to limit the calculation time; however, the ultimate aim is to implement the more complex CO2 chemistry in these models. In the present paper, examples will be given of both the 0D plasma chemistry models and the 2D and 3D fluid models for the most common plasma reactors used for CO2 conversion in order to emphasize the complementarity of both approaches. Furthermore, based on the modeling insights, the paper discusses the possibilities and limitations of plasma-based CO2 conversion in different types of plasma reactors, as well as what is needed to make further progress in this field. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000412173700001 | Publication Date | 2017-05-15 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 26 | Open Access | OpenAccess |
Notes | We would like to thank T Silva, N Britoun, Th Godfroid and R Snyders (Université de Mons and Materia Nova Research Center), A Ozkan, Th Dufour and F Reniers (Université Libre de Bruxelles) andK Van Wesenbeeck and S Lenaerts (University of Antwerp) for providingexperimental data to validate our models. Furthermore, we acknowledge the financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Francqui Research Foundation, the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska- Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the Methusalem financing of the University of Antwerp, the Fund for Scientific Research, Flanders (FWO; grant nos. G.0383.16N and 11U5316N) and the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:144429 | Serial | 4614 | ||
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Author | Cooper, D.; Rouvière, J.-L.; Béché, A.; Kadkhodazadeh, S.; Semenova, E.S.; Dunin-Borkowsk, R. | ||||
Title | Quantitative strain mapping of InAs/InP quantum dots with 1 nm spatial resolution using dark field electron holography | Type | A1 Journal article | ||
Year | 2011 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 99 | Issue | Pages | 261911-261913 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The optical properties of semiconductor quantum dots are greatly influenced by their strain state. Dark field electron holography has been used to measure the strain in InAsquantum dotsgrown in InP with a spatial resolution of 1 nm. A strain value of 5.4% ± 0.1% has been determined which is consistent with both measurements made by geometrical phase analysis of high angle annular dark field scanning transmission electron microscopy images and with simulations. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000298638500027 | Publication Date | 2012-01-03 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2011 IF: 3.844 | |||
Call Number | UA @ lucian @ c:irua:136428 | Serial | 4507 | ||
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Author | Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. | ||||
Title | Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 29 | Issue | 14 | Pages | 5948-5956 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases. | ||||
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Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000406573200026 | Publication Date | 2017-07-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 26 | Open Access | Not_Open_Access |
Notes | ; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:145759 | Serial | 4740 | ||
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Author | Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. | ||||
Title | A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 19 | Issue | 40 | Pages | 27866-27877 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly also form Zn clusters, leading to the observed increased conductivity. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000413290500073 | Publication Date | 2017-10-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 26 | Open Access | OpenAccess |
Notes | We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department). | Approved | Most recent IF: 4.123 | ||
Call Number | EMAT @ emat @c:irua:146878 | Serial | 4760 | ||
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