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Author Nistor, L.; Bender, H.; van Landuyt, J.; Nemeth, S.; Boeve, H.; De Boeck, J.; Borghs, G.
  Title HREM investigation of a Fe/GaN/Fe tunnel junction Type A1 Journal article
  Year 2001 Publication Institute of physics conference series T2 – Royal-Microscopical-Society Conference on Microscopy of Semiconducting, Materials, MAR 25-29, 2001, Univ of Oxford, Oxford, England Abbreviated Journal
  Volume Issue 169 Pages 53-56
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The structure of Fe/GaN/Fe ferromagnetic electrodes is studied by high resolution transmission electron microscopy. The layers grow epitaxially on the GaAs substrate with the top Fe layer 90degrees rotated compared to the bottom one. The interfaces are quite rough. There is an indication of the possible occurrence of Fe3GaAs formation on the GaAs interface.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0-7503-0818-4 ISBN Additional Links UA library record; WoS full record;
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:95715 Serial 1503
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Author Ozaydin, H.D.; Sahin, H.; Kang, J.; Peeters, F.M.; Senger, R.T.
  Title Electronic and magnetic properties of 1T-TiSe2 nanoribbons Type A1 Journal article
  Year 2015 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 2 Issue 2 Pages 044002
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the recent synthesis of single layer TiSe2, we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair-edged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 angstrom. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and armchair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000368936600005 Publication Date 2015-10-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 20 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus Short Marie Curie Fellowship. HDO, HS and RTS acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 6.937; 2015 IF: NA
  Call Number UA @ lucian @ c:irua:131602 Serial 4169
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Author Venturi, F.; Calizzi, M.; Bals, S.; Perkisas, T.; Pasquini, L.
  Title Self-assembly of gas-phase synthesized magnesium nanoparticles on room temperature substrates Type A1 Journal article
  Year 2015 Publication Materials research express Abbreviated Journal Mater Res Express
  Volume 2 Issue 2 Pages 015007
  Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
  Abstract Magnesium nanoparticles (NPs) with initial size in the 10-50 nmrange were synthesized by inert gas condensation under helium flow and deposited on room temperature substrates. The morphology and crystal structure of the NPs ensemble were investigated as a function of the deposition time by complementary electron microscopy techniques, including high resolution imaging and chemical mapping. With increasing amount of material, strong coarsening phenomena were observed at room temperature: small NPs disappeared while large faceted NPs developed, leading to a 5-fold increase of the average NPs size within a few minutes. The extent of coarsening and the final morphology depended also on the nature of the substrate. Furthermore, large single-crystal NPs were seen to arise from the self-organization of primary NPs units, providing a mechanism for crystal growth. The dynamics of the self-assembly process involves the basic steps of NPs sticking, diffusion on substrate, coordinated rotation and attachment/coalescence. Key features are the surface energy anisotropy, reflected by the faceted shape of the NPs, and the low melting point of the material. The observed phenomena have strong implications in relation to the synthesis and stability of nanostructures based on Mg or other elements with similar features.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000369978500007 Publication Date 2014-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.068 Times cited 14 Open Access Not_Open_Access
  Notes ; Financial support by COST Action MP1103 'Nanostructured Materials for Solid-State Hydrogen Storage' is gratefully acknowledged. ; Approved Most recent IF: 1.068; 2015 IF: NA
  Call Number UA @ lucian @ c:irua:132275 Serial 4240
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Author Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B.
  Title Piezoelectricity in asymmetrically strained bilayer graphene Type A1 Journal article
  Year 2016 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 3 Issue 3 Pages 035015
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000384072500003 Publication Date 2016-08-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 10 Open Access
  Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:137203 Serial 4361
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Author van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization Type A1 Journal article
  Year 2014 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 1 Issue Pages 021004
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000353650400004 Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 58 Open Access
  Notes Approved Most recent IF: 6.937; 2014 IF: NA
  Call Number UA @ lucian @ c:irua:134432 Serial 4530
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Author van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport Type A1 Journal article
  Year 2016 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 3 Issue 1 Pages 015001
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Since the advent of graphene, other 2D materials have garnered interest; notably the single element materials silicene, germanene, and stanene. Weinvestigate the ballistic current-voltage (I-V) characteristics of armchair silicene and stanene armchair nanoribbons (AXNRs with X = Si, Sn) using a combination of density functional theory and non-equilibrium Green's functions. The impact of out-of-plane electric field and in-plane uniaxial strain on the ribbon geometries, electronic structure, and (I-V)s are considered and contrasted with graphene. Since silicene and stanene are sp(2)/sp(3) buckled layers, the electronic structure can be tuned by an electric field that breaks the sublattice symmetry, an effect absent in graphene. This decreases the current by similar to 50% for Sn, since it has the largest buckling. Uniaxial straining of the ballistic channel affects the AXNR electronic structure in multiple ways: it changes the bandgap and associated effective carrier mass, and creates a local buckling distortion at the lead-channel interface which induces a interface dipole. Due to the increasing sp(3) hybridization character with increasing element mass, large reconstructions rectify the strained systems, an effect absent in sp(2) bonded graphene. This results in a smaller strain effect on the current: a decrease of 20% for Sn at 15% tensile strain compared to a similar to 75% decrease for C.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000373936300021 Publication Date 2016-01-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 19 Open Access
  Notes Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:144746 Serial 4658
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Author Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D.
  Title Gate induced monolayer behavior in twisted bilayer black phosphorus Type A1 Journal article
  Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 4 Issue 3 Pages 035025
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000406926600001 Publication Date 2017-08-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 13 Open Access
  Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:145151 Serial 4717
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Author Moldovan, D.; Masir, M.R.; Peeters, F.M.
  Title Magnetic field dependence of the atomic collapse state in graphene Type A1 Journal article
  Year 2018 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 5 Issue 1 Pages 015017
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.'));
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000415015000001 Publication Date 2017-10-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 13 Open Access
  Notes ; We thank Eva Andrei, Jinhai Mao and Yuhang Jiang for insightful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:147361UA @ admin @ c:irua:147361 Serial 4884
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Author Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M.
  Title Thermal activated rotation of graphene flake on graphene Type A1 Journal article
  Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 4 Issue 2 Pages 025015
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000424399600005 Publication Date 2017-02-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 16 Open Access
  Notes ; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:149364 Serial 4984
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Author Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H.
  Title Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 Type A1 Journal article
  Year 2018 Publication Materials Research Express Abbreviated Journal Mater Res Express
  Volume 5 Issue 3 Pages 036415
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication (down) Bristol Editor
  Language Wos 000428781400003 Publication Date 2018-03-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.068 Times cited 2 Open Access
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 1.068
  Call Number UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 Serial 5133
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Author Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G.
  Title Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers Type A1 Journal article
  Year 2006 Publication Journal of electronic materials Abbreviated Journal J Electron Mater
  Volume 35 Issue 4 Pages 592-598
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Boston, Mass. Editor
  Language Wos 000237101800016 Publication Date 2007-04-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0361-5235;1543-186X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.579 Times cited 102 Open Access
  Notes Approved Most recent IF: 1.579; 2006 IF: 1.504
  Call Number UA @ lucian @ c:irua:58238 Serial 1223
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Author Vernimmen, J.; Meynen, V.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Cool, P.
  Title Formation of a Ti-siliceous trimodal material with macroholes, mesopores and zeolitic features via a one-pot templating synthesis Type A1 Journal article
  Year 2012 Publication Journal of porous materials Abbreviated Journal J Porous Mat
  Volume 19 Issue 2 Pages 153-160
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract Based on a facile one-pot templating synthesis, using a TS-1 zeolite recipe whereby part of the zeolite structure directing agent is replaced by a mesopore templating agent, a trimodal material is formed. The resulting meso-TSM material combines mesoporosity (Ti-MCM-41) with zeolitic features (TS-1) and a unique sheet-like morphology with uniform macroporous voids (macroholes). Moreover, the macrohole formation, mesoporosity and zeolitic properties of the meso-TSM material can be controlled in a straightforward way by adjusting the length of the hydrothermal treatment. This newly developed material may imply great potential for catalytic redox applications and diffusion limitated processes because of its highly tunable character in all three dimensions (micro-, meso- and macroporous scale).
  Address
  Corporate Author Thesis
  Publisher Kluwer Academic Place of Publication (down) Boston, Mass. Editor
  Language Wos 000301187600002 Publication Date 2011-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1380-2224;1573-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.624 Times cited 2 Open Access
  Notes Fwo; Goa Approved Most recent IF: 1.624; 2012 IF: 1.348
  Call Number UA @ lucian @ c:irua:88367 Serial 1257
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Author Müller, E.; Kruse, P.; Gerthsen, D.; Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kling, R.
  Title Measurement of the mean inner potential of ZnO nanorods by transmission electron holography Type A1 Journal article
  Year 2005 Publication Microscopy of Semiconducting Materials Abbreviated Journal
  Volume 107 Issue Pages 303-306
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Berlin Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title SPRINGER PROCEEDINGS IN PHYSICS Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0930-8989 ISBN Additional Links UA library record; WoS full record;
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:72914 Serial 1962
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Author Dadsetani, M.; Titantah, J.T.; Lamoen, D.
  Title Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond Type A1 Journal article
  Year 2010 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
  Volume 19 Issue 1 Pages 73-77
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000274234500013 Publication Date 2009-11-12
  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 11 Open Access
  Notes Goa; Esteem 026019 Approved Most recent IF: 2.561; 2010 IF: 1.825
  Call Number UA @ lucian @ c:irua:79444 Serial 29
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Author Lu, Y.-G.; Verbeeck, J.; Turner, S.; Hardy, A.; Janssens, S.D.; De Dobbelaere, C.; Wagner, P.; Van Bael, M.K.; Van Tendeloo, G.
  Title Analytical TEM study of CVD diamond growth on TiO2 sol-gel layers Type A1 Journal article
  Year 2012 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
  Volume 23 Issue Pages 93-99
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The early growth stages of chemical vapor deposition (CVD) diamond on a solgel TiO2 film with buried ultra dispersed diamond seeds (UDD) have been studied. In order to investigate the diamond growth mechanism and understand the role of the TiO2 layer in the growth process, high resolution transmission electron microscopy (HRTEM), energy-filtered TEM and electron energy loss spectroscopy (EELS) techniques were applied to cross sectional diamond film samples. We find evidence for the formation of TiC crystallites inside the TiO2 layer at different diamond growth stages. However, there is no evidence that diamond nucleation starts from these crystallites. Carbon diffusion into the TiO2 layer and the chemical bonding state of carbon (sp2/sp3) were both extensively investigated. We provide evidence that carbon diffuses through the TiO2 layer and that the diamond seeds partially convert to amorphous carbon during growth. This carbon diffusion and diamond to amorphous carbon conversion make the seed areas below the TiO2 layer grow and bend the TiO2 layer upwards to form the nucleation center of the diamond film. In some of the protuberances a core of diamond seed remains, covered by amorphous carbon. It is however unlikely that the remaining seeds are still active during the growth process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000302887600017 Publication Date 2012-01-26
  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 16 Open Access
  Notes Iap; Esteem 026019; Fwo Approved Most recent IF: 2.561; 2012 IF: 1.709
  Call Number UA @ lucian @ c:irua:95037UA @ admin @ c:irua:95037 Serial 111
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Author Van Tendeloo, G.; Lebedev, O.I.; Amelinckx, S.
  Title Atomic and microstructure of CMR materials Type A1 Journal article
  Year 2000 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
  Volume 211 Issue Pages 73-83
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000085772100013 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.63 Times cited 48 Open Access
  Notes Iuap 4-10 Approved Most recent IF: 2.63; 2000 IF: 0.996
  Call Number UA @ lucian @ c:irua:54773 Serial 165
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Author Titantah, J.T.; Lamoen, D.
  Title Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles Type A1 Journal article
  Year 2007 Publication Diamond And Related Materials Abbreviated Journal Diam Relat Mater
  Volume 16 Issue 3 Pages 581-588
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000244827100028 Publication Date 2007-01-08
  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 77 Open Access
  Notes Approved Most recent IF: 2.561; 2007 IF: 1.788
  Call Number UA @ lucian @ c:irua:63842 Serial 277
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Author van der Linden, V.; Bultinck, E.; de Ruytter, J.; Schalm, O.; Janssens, K.; Devos, W.; Tiri, W.
  Title Compositional analysis of 17-18th century archaeological glass fragments, excavated in Mechelen, Belgium: comparison with data from neighboring cities in the Low Countries Type A1 Journal article
  Year 2005 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal Nucl Instrum Meth B
  Volume 239 Issue 1/2 Pages 100-106
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000233514700013 Publication Date 2005-08-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.109 Times cited 15 Open Access
  Notes Approved Most recent IF: 1.109; 2005 IF: 1.181
  Call Number UA @ lucian @ c:irua:56068 Serial 444
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Author Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X.
  Title Computed electronic and optical properties of SnO2 under compressive stress Type A1 Journal article
  Year 2014 Publication Optical materials Abbreviated Journal Opt Mater
  Volume 38 Issue Pages 161-166
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000346228800028 Publication Date 2014-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.238 Times cited 6 Open Access
  Notes ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; Approved Most recent IF: 2.238; 2014 IF: 1.981
  Call Number UA @ lucian @ c:irua:122747 Serial 460
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Author Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N.
  Title Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 Type A1 Journal article
  Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
  Volume 363 Issue Pages 125-132
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000335393900021 Publication Date 2014-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.63 Times cited 6 Open Access
  Notes Approved Most recent IF: 2.63; 2014 IF: 1.970
  Call Number UA @ lucian @ c:irua:117139 Serial 524
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Author Ribbens, S.; Meynen, V.; Van Tendeloo, G.; Ke, X.; Mertens, M.; Maes, B.U.W.; Cool, P.; Vansant, E.F.
  Title Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies Type A1 Journal article
  Year 2008 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 114 Issue 1/3 Pages 401-409
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
  Abstract Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000258432100040 Publication Date 2008-02-01
  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 47 Open Access
  Notes Fwo; Crp (Ua) Approved Most recent IF: 3.615; 2008 IF: 2.555
  Call Number UA @ lucian @ c:irua:69696 Serial 683
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Author Filippousi, M.; Turner, S.; Katsikini, M.; Pinakidou, F.; Zamboulis, D.; Pavlidou, E.; Van Tendeloo, G.
  Title Direct observation and structural characterization of natural and metal ion-exchanged HEU-type zeolites Type A1 Journal article
  Year 2015 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 210 Issue 210 Pages 185-193
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The atomic structure of natural HEU-type zeolite and two ion-exchanged variants of the zeolite, Ag+ (Ag-HEU) and Zn2+ (Zn-HEU) ion exchanged HEU-type zeolites, are investigated using advanced transmission electron microscopy techniques in combination with X-ray powder diffraction and X-ray absorption fine structure measurements. In both ion-exchanged materials, loading of the natural HEU zeolite is confirmed. Using low-voltage, aberration-corrected transmission electron microscopy at low-dose conditions, the local crystal structure of natural HEU-type zeolite is determined and the interaction of the ion-exchanged natural zeolites with the Ag+ and Zn2+ ions is studied. In the case of Ag-HEU, the presence of Ag+ ions and clusters at extra-framework sites as well as Ag nanoparticles has been confirmed. The Ag nanoparticles are preferentially positioned at the zeolite surface. For Zn-HEU, no large Zn(O) nanopartides are present, instead, the HEU channels are evidenced to be decorated by small Zn(O) clusters. (c) 2015 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000353733300024 Publication Date 2015-02-13
  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 5 Open Access
  Notes 246791 Countatoms; Iap-Pai; Fwo Approved Most recent IF: 3.615; 2015 IF: 3.453
  Call Number c:irua:126006 Serial 715
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Author Kuznetsov, A.S.; Cuong, N.T.; Tikhomirov, V.K.; Jivanescu, M.; Stesmans, A.; Chibotaru, L.F.; Velázquez, J.J.; Rodríguez, V.D.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V.
  Title Effect of heat-treatment on luminescence and structure of Ag nanoclusters doped oxyfluoride glasses and implication for fiber drawing Type A1 Journal article
  Year 2012 Publication Optical materials Abbreviated Journal Opt Mater
  Volume 34 Issue 4 Pages 616-621
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The effect of heat treatment on the structure and luminescence of Ag nanoclusters doped oxyfluoride glasses was studied and the implication for drawing the corresponding fibers doped with luminescent Ag nanoclusters has been proposed. The heat treatment results, first, in condensation of the Ag nanoclusters into larger Ag nanoparticles and loss of Ag luminescence, and further heat treatment results in precipitation of a luminescent-loss nano- and microcrystalline Ag phases onto the surface of the glass. Thus, the oxyfluoride fiber doped with luminescent Ag nanoclusters was pulled from the viscous glass melt and its attenuation loss was 0.19 dB/cm in the red part of the spectrum; i.e. near to the maximum of Ag nanoclusters luminescence band. The nucleation centers for the Ag nanoclusters in oxyfluoride glasses have been suggested to be the fluorine vacancies and their nanoclusters.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000300124500006 Publication Date 2011-10-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.238 Times cited 25 Open Access
  Notes Methusalem Approved Most recent IF: 2.238; 2012 IF: 1.918
  Call Number UA @ lucian @ c:irua:93632 Serial 811
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Author Frangis, N.; van Landuyt, J.; Grimaldi, M.G.; Calcagno, L.
  Title Electron microscopy and Rutherford backscattering spectrometry characterisation of 6H SiC samples implanted with He+ Type A1 Journal article
  Year 1996 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms T2 – Symposium 1 on New Trends in Ion Beam Processing of Materials, at the, E-MRS 96 Spring Meeting, June 04-07, 1996, Strasbourg, France Abbreviated Journal Nucl Instrum Meth B
  Volume 120 Issue 1-4 Pages 186-189
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract 6H SiC single crystals were implanted al room temperature with 1 MeV He+ up to a fluence of 2 x 10(17) at./cm(2) RBS-channeling analysis with a 2 MeV He+ beam indicated the formation of extended defects or the generation of point defects at a constant concentration over a depth of about 1 mu m. Electron microscopy characterisation revealed the presence of two amorphous buried layers at depths of about 1,75 and 4.8 mu m. They an due to the implantation and to the analysing RES beam, respectively, No extended planar or linear faults were found in the region between the surface and the first amorphous layer. However, at the surface, a 50 nm thick amorphous layer was observed in which crystalline inclusions were embedded. Electron diffraction and HREM data of the inclusions were typical for diamond, These inclusions were even found in the crystalline SiC material below this layer, however at a reduced density.
  Address
  Corporate Author Thesis
  Publisher Elsevier Place of Publication (down) Amsterdam Editor
  Language Wos A1996VZ24500040 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.124 Times cited 2 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:95882 Serial 947
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Author Angelakeris, M.; Li, Z.A.; Hilgendorff, M.; Simeonidis, K.; Sakellari, D.; Filippousi, M.; Tian, H.; Van Tendeloo, G.; Spasova, M.; Acet, M.; Farle, M.
  Title Enhanced biomedical heat-triggered carriers via nanomagnetism tuning in ferrite-based nanoparticles Type A1 Journal article
  Year 2015 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
  Volume 381 Issue 381 Pages 179-187
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Biomedical nanomagnetic carriers are getting a higher impact in therapy and diagnosis schemes while their constraints and prerequisites are more and more successfully confronted. Such particles should possess a well-defined size with minimum agglomeration and they should be synthesized in a facile and reproducible high-yield way together with a controllable response to an applied static or dynamic field tailored for the specific application. Here, we attempt to enhance the heating efficiency in magnetic particle hyperthermia treatment through the proper adjustment of the core-shell morphology in ferrite particles, by controlling exchange and dipolar magnetic interactions at the nanoscale. Thus, core-shell nanoparticles with mutual coupling of magnetically hard (CoFe2O4) and soft (MnFe2O4) components are synthesized with facile synthetic controls resulting in uniform size and shell thickness as evidenced by high resolution transmission electron microscopy imaging, excellent crystallinity and size monodispersity. Such a magnetic coupling enables the fine tuning of magnetic anisotropy and magnetic interactions without sparing the good structural, chemical and colloidal stability. Consequently, the magnetic heating efficiency of CoFe2O4. and MnFe2O4 core-shell nanoparticles is distinctively different horn that of their counterparts, even though all these nanocrystals were synthesized under similar conditions. For better understanding of the AC magnetic hyperthermia response and its correlation with magnetic-origin features we study the effect of the volume ratio of magnetic hard and soft phases in the bimagnetic core-shell nanocrystals. Eventually, such particles may be considered as novel heating carriers that under further biomedical functionalization may become adaptable multifunctional heat-triggered nanoplatforms. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000349361100027 Publication Date 2014-12-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.63 Times cited 20 Open Access
  Notes 312483 Esteem2; Esteem2_ta Approved Most recent IF: 2.63; 2015 IF: 1.970
  Call Number c:irua:125284 c:irua:125284 Serial 1049
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Author Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A.
  Title Exciton trapping in a hybrid ferromagnetic/semiconductor magnetic antidot Type A1 Journal article
  Year 2001 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
  Volume 226/230 Issue Pages 2038-2039
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000170628400349 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.63 Times cited 2 Open Access
  Notes Approved Most recent IF: 2.63; 2001 IF: 1.329
  Call Number UA @ lucian @ c:irua:37314 Serial 1119
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Author Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M.
  Title Ferromagnetism in stacked bilayers of Pd/C60 Type A1 Journal article
  Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
  Volume 349 Issue Pages 128-134
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000326037600022 Publication Date 2013-08-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.63 Times cited 8 Open Access
  Notes ; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; Approved Most recent IF: 2.63; 2014 IF: 1.970
  Call Number UA @ lucian @ c:irua:112214 Serial 1184
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Author van Oers, C.J.; Stevens, W.J.J.; Bruijn, E.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Meynen, V.; Cool, P.
  Title Formation of a combined micro- and mesoporous material using zeolite Beta nanoparticles Type A1 Journal article
  Year 2009 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 120 Issue 1/2 Pages 29-34
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract Composite micro- and mesoporous materials are synthesized using zeolite Beta nanoparticles without the need for a structure directing agent to form the mesopores. This leads to important ecological and economical advantages. The influence of the way of cooling the aged nanoparticles solution on the formation of the composite materials has been studied. The materials have been characterized towards porosity by N2-sorption, towards zeolitic properties by TGA, DRIFT, XRD and TEM, towards aluminium content by EPMA. All prepared structures possess zeolitic properties. However, the method of cooling down of the aged seeds leads to differences in the porosity and intensity of the zeolitic characteristics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000264619200006 Publication Date 2008-09-12
  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 42 Open Access
  Notes Crp; Sfr Ua Approved Most recent IF: 3.615; 2009 IF: 2.652
  Call Number UA @ lucian @ c:irua:74950 Serial 1254
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Author de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M.
  Title Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study Type A1 Journal article
  Year 2011 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 144 Issue 1/3 Pages 120-133
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (down) Amsterdam Editor
  Language Wos 000293435400016 Publication Date 2011-04-15
  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 15 Open Access
  Notes Approved Most recent IF: 3.615; 2011 IF: 3.285
  Call Number UA @ lucian @ c:irua:92325 Serial 1380
Permanent link to this record
 

 
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 (down) 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 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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